Showing NP-Card for Momordica cochinchinensis Cytotoxic peptide 2 (NP0084718)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-29 05:23:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-29 05:23:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0084718 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Momordica cochinchinensis Cytotoxic peptide 2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Momordica cochinchinensis Cytotoxic peptide 2 is found in Momordica cochinchinensis . | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)
Mrv1652304292207232D
217222 0 0 1 0 999 V2000
-4.2814 -18.5671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9172 -19.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7799 -19.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4158 -20.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2785 -21.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5053 -21.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3680 -22.3467 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.9143 -21.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7770 -22.5846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4129 -23.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1860 -22.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8219 -23.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5950 -23.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7323 -22.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2309 -23.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2755 -23.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9114 -24.4494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7741 -25.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4099 -25.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2726 -26.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9085 -27.1277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6816 -26.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8189 -26.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5921 -25.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7294 -24.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5026 -24.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.7711 -27.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4070 -28.4669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2060 -28.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6483 -28.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1226 -29.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3555 -29.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6590 -29.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9278 -29.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2314 -29.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2662 -30.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5698 -31.0594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.5001 -29.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 -29.8532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0725 -29.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3760 -29.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6448 -29.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -29.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9832 -30.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2868 -31.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 -30.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -32.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2171 -29.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 -30.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -29.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2454 -28.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9766 -28.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0114 -27.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7427 -27.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 -27.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 -28.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 -28.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 -30.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 -29.7124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3346 -30.1547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2998 -30.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5686 -31.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5338 -32.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8025 -32.5672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7677 -33.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 -33.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0364 -33.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0659 -29.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -30.2150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 -29.8331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5284 -29.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2596 -28.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -30.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9212 -29.8934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6177 -30.3357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5828 -31.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2793 -31.6022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3489 -29.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0453 -30.3960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7766 -30.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 -30.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2042 -30.0743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9007 -30.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6319 -30.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3283 -30.5769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0596 -30.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7560 -30.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4872 -30.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.1837 -30.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1488 -31.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8453 -31.9641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
15.9149 -30.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6113 -30.7578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 -30.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3774 -29.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1086 -29.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1435 -28.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8747 -27.9634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9095 -27.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6408 -26.7571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.2131 -26.6968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.0390 -30.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7702 -30.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4667 -30.8785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.4318 -31.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1283 -32.1450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
20.1979 -30.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8943 -30.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.6256 -30.5568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.3220 -30.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2872 -31.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5999 -32.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8215 -33.0744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6457 -33.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9336 -32.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7471 -32.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2727 -32.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9849 -33.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1714 -33.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6604 -29.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3916 -29.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.1305 -29.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7079 -29.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3259 -28.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5124 -28.5345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.9232 -27.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1286 -27.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.5394 -26.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.7447 -26.8022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.1554 -26.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5393 -27.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7448 -25.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1556 -25.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.3610 -24.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.1557 -24.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3611 -23.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7449 -24.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7717 -23.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9772 -23.0287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.3879 -22.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5933 -22.6729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.3878 -23.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0040 -22.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5934 -21.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0041 -21.0749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.1249 -20.2588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.8562 -19.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8910 -19.0525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.6222 -18.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6570 -17.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3883 -17.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.4231 -16.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.7267 -16.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7615 -15.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9954 -16.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1544 -16.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1892 -15.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9204 -15.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9552 -14.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6865 -13.8456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.7213 -13.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
24.0249 -12.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.2936 -12.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0597 -11.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3633 -11.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4526 -12.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4874 -11.8151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.2186 -11.4331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
26.9150 -11.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.6463 -11.4934 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
26.2534 -10.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9847 -10.2269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.0195 -9.4026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
26.3231 -8.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3579 -8.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.7507 -9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.7856 -8.1964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.5168 -7.8144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
28.5516 -6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.2829 -6.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.2132 -8.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1784 -9.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.9445 -7.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.4472 -9.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
25.5570 -10.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.1490 -13.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2588 -13.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.8508 -16.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9606 -17.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5526 -20.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3861 -19.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8087 -20.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1906 -21.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3881 -21.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.9771 -24.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.5395 -25.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.1285 -28.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9640 -29.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.2327 -29.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0042 -31.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9497 -29.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7212 -31.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6667 -29.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4382 -31.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3837 -29.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1552 -31.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1007 -28.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8722 -30.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1823 -28.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4109 -30.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4653 -28.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6939 -30.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9980 -28.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1831 -25.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5024 -24.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6875 -21.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -20.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 6 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
10 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
21 20 1 6 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
21 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
28 32 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 6 0 0 0
33 34 1 0 0 0 0
35 34 1 6 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
35 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
43 42 1 6 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
43 48 1 0 0 0 0
48 49 1 0 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
52 57 1 0 0 0 0
50 58 1 0 0 0 0
58 59 1 0 0 0 0
60 59 1 6 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
60 68 1 0 0 0 0
68 69 1 0 0 0 0
70 69 1 1 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 1 0 0 0 0
75 74 1 6 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
89 88 1 6 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
89 92 1 0 0 0 0
92 93 1 0 0 0 0
94 93 1 1 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
99101 2 0 0 0 0
94102 1 0 0 0 0
102103 1 0 0 0 0
104103 1 6 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
104107 1 0 0 0 0
107108 1 0 0 0 0
109108 1 6 0 0 0
109110 1 0 0 0 0
110111 1 0 0 0 0
111112 2 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
114115 2 0 0 0 0
111115 1 0 0 0 0
115116 1 0 0 0 0
116117 2 0 0 0 0
117118 1 0 0 0 0
118119 2 0 0 0 0
114119 1 0 0 0 0
109120 1 0 0 0 0
120121 1 0 0 0 0
121122 1 0 0 0 0
122123 1 0 0 0 0
123124 1 0 0 0 0
124125 1 0 0 0 0
121125 1 0 0 0 0
125126 1 6 0 0 0
126127 1 0 0 0 0
128127 1 1 0 0 0
128129 1 0 0 0 0
129130 1 1 0 0 0
129131 1 0 0 0 0
128132 1 0 0 0 0
132133 1 0 0 0 0
134133 1 6 0 0 0
134135 1 0 0 0 0
135136 1 0 0 0 0
135137 1 0 0 0 0
134138 1 0 0 0 0
138139 1 0 0 0 0
140139 1 1 0 0 0
140141 1 0 0 0 0
141142 1 0 0 0 0
141143 1 1 0 0 0
140144 1 0 0 0 0
144145 1 0 0 0 0
145146 1 0 0 0 0
146147 1 1 0 0 0
147148 1 0 0 0 0
148149 1 0 0 0 0
149150 1 0 0 0 0
150151 1 0 0 0 0
152151 1 1 0 0 0
152153 1 0 0 0 0
153154 1 0 0 0 0
153155 1 0 0 0 0
152156 1 0 0 0 0
156157 1 0 0 0 0
157158 1 0 0 0 0
158159 1 0 0 0 0
159160 1 0 0 0 0
161160 1 1 0 0 0
161162 1 0 0 0 0
162163 1 1 0 0 0
162164 1 0 0 0 0
164165 1 0 0 0 0
161166 1 0 0 0 0
166167 1 0 0 0 0
168167 1 6 0 0 0
168169 1 0 0 0 0
169170 1 0 0 0 0
168171 1 0 0 0 0
171172 1 0 0 0 0
173172 1 1 0 0 0
173174 1 0 0 0 0
174175 1 0 0 0 0
173176 1 0 0 0 0
176177 1 0 0 0 0
178177 1 1 0 0 0
178179 1 0 0 0 0
179180 1 0 0 0 0
178181 1 0 0 0 0
181182 1 0 0 0 0
181183 2 0 0 0 0
176184 2 0 0 0 0
171185 2 0 0 0 0
166186 2 0 0 0 0
159187 2 0 0 0 0
156188 2 0 0 0 0
150189 2 0 0 0 0
147190 2 0 0 0 0
146191 1 0 0 0 0
191192 1 0 0 0 0
192193 1 0 0 0 0
145193 1 0 0 0 0
144194 2 0 0 0 0
138195 2 0 0 0 0
132196 2 0 0 0 0
126197 2 0 0 0 0
120198 2 0 0 0 0
107199 2 0 0 0 0
102200 2 0 0 0 0
92201 2 0 0 0 0
87202 2 0 0 0 0
84203 2 0 0 0 0
81204 2 0 0 0 0
78205 2 0 0 0 0
73206 2 0 0 0 0
68207 2 0 0 0 0
58208 2 0 0 0 0
48209 2 0 0 0 0
41210 2 0 0 0 0
38211 2 0 0 0 0
33212 2 0 0 0 0
27213 2 0 0 0 0
19214 2 0 0 0 0
16215 2 0 0 0 0
8216 2 0 0 0 0
3217 2 0 0 0 0
M END
3D MOL for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)
RDKit 3D
425430 0 0 0 0 0 0 0 0999 V2000
3.4033 13.8150 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8297 13.3498 2.4304 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0624 12.8236 3.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6355 12.1898 4.4380 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6518 12.8737 3.1441 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1550 12.1885 1.9601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3969 10.6713 2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5854 10.3287 3.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 8.9012 3.8456 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9752 8.6413 4.5221 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9926 8.2327 5.8935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8259 8.1178 6.4271 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2217 7.9668 6.6536 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1428 6.9068 6.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7149 7.0137 4.8335 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1853 6.2243 3.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7002 6.2819 2.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7650 7.1448 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2801 7.9174 3.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7500 7.8515 4.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6957 7.4801 8.0022 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 6.3714 7.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5741 5.8275 6.8598 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2134 5.7170 9.1664 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1194 4.6158 9.6474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5746 3.8405 10.7999 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2748 4.6836 12.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6673 2.8491 11.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0391 5.1458 8.6750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3185 5.7234 8.8951 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 6.8013 9.5391 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5308 5.0714 8.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7198 5.8495 8.5984 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9325 5.2716 8.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8173 4.0652 7.6913 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3082 5.8438 8.2522 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7243 6.3065 9.5689 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6635 7.6188 10.2307 S 0 0 0 0 0 0 0 0 0 0 0 0
-7.1652 4.7369 7.7956 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1989 4.4305 6.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4861 5.1957 5.6878 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0168 3.3000 5.9951 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.7799 2.1660 7.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4547 1.0031 6.3293 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7578 1.4712 4.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7575 2.5937 4.7615 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9136 2.7524 3.6859 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0198 3.7320 3.8714 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7179 2.1547 2.4216 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5984 1.1203 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0074 1.5025 1.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7259 0.3523 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7769 -0.9091 1.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4345 -0.7968 2.9580 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2803 1.8209 2.1426 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.7041 2.1276 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4071 2.6959 0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2945 1.8051 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 1.1890 1.6390 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 0.7334 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6296 0.8627 0.3157 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4652 0.0975 2.5365 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3290 -0.1101 3.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3982 -1.1002 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3869 -1.3500 4.3915 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2872 -0.7629 5.5207 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4462 -2.2116 4.1871 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 0.5553 2.7188 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 0.0791 3.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5461 -0.8805 4.3866 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1996 0.6165 3.6853 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1120 -0.5462 3.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8019 0.0964 3.2859 S 0 0 0 0 0 0 0 0 0 0 0 0
3.6781 0.9425 5.0372 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 2.0737 5.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8596 2.7055 4.0601 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1368 2.5558 6.3742 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0001 3.7199 6.0876 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3130 7.9008 2.8589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0335 6.9053 2.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 8.0659 2.0888 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2210 7.0397 1.1352 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6994 6.8038 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3699 7.9759 0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6654 7.4960 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1612 8.5988 -0.3592 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7392 6.5818 -1.2505 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2437 6.7564 -2.5547 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3781 7.1197 -3.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7183 6.9076 -5.1892 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9147 7.6344 -2.7736 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0993 8.7850 -2.3111 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0238 7.1832 -3.5921 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.9419 -3.8562 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1754 7.1665 -4.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8829 5.9893 -5.0428 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4420 7.6361 -5.0891 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3089 6.7536 -5.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6932 6.3106 -7.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 6.8056 -7.4557 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3755 5.3400 -7.8981 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9646 4.7536 -9.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6321 4.1561 -9.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9843 4.3553 -7.9990 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0051 3.3829 -10.1061 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6750 2.8905 -9.9585 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7898 3.0942 -11.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 4.6949 -11.9440 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4482 1.6226 -9.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3394 1.3490 -8.3415 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3596 0.7830 -9.4609 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 -0.3574 -8.7860 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4506 -0.8442 -9.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4725 0.1435 -9.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8837 1.0795 -8.3321 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9706 1.9200 -8.7957 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6370 2.8327 -7.9587 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8056 2.3272 -7.2967 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2704 4.0573 -7.7513 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8224 4.6664 -7.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8002 -1.6008 -8.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5371 -1.9627 -9.5981 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7445 -2.3469 -7.4666 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4171 -3.5639 -7.1913 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7091 -3.2727 -6.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8260 -2.1909 -7.2982 S 0 0 0 0 0 0 0 0 0 0 0 0
1.6187 -4.4409 -6.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5289 -3.9743 -5.8956 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9694 -5.7504 -5.8716 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0341 -6.4686 -4.9975 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0224 -7.0977 -5.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2935 -7.3313 -5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5234 -7.2011 -3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7676 -7.4961 -3.3439 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4286 -7.8324 -4.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7370 -8.1934 -4.6965 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1489 -8.4601 -6.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2390 -8.3598 -7.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 -7.9972 -6.8091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 -7.7305 -5.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 -7.0451 -3.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 -6.2310 -3.1637 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5542 -8.3510 -3.2298 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8967 -9.4675 -3.8447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7624 -10.6523 -3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7236 -10.2283 -1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0433 -8.7300 -1.9449 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5835 -8.6296 -1.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0250 -8.3121 -2.9970 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2482 -8.8417 -0.7577 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0085 -9.0774 0.4532 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1253 -8.8641 1.6551 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 -9.5154 1.6004 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4144 -8.0517 2.7454 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8338 -7.6854 3.9700 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3390 -7.7275 4.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8168 -8.8035 3.6543 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5112 -6.7381 4.5748 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0734 -6.7437 4.7296 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5449 -6.7264 3.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1220 -7.4385 2.5067 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6883 -6.1020 2.9180 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6376 -5.1748 3.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9910 -5.8072 3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6709 -6.1212 1.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -6.4216 1.5727 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4273 -5.8627 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8623 -5.9924 -0.6837 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 -5.1745 0.6223 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5167 -4.7075 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8008 -4.0888 -0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0822 -4.0078 1.0049 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7010 -3.5963 -1.1809 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9660 -2.9979 -0.7349 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7044 -1.5420 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5028 -1.2496 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6021 -0.5131 -0.6183 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1163 0.8252 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 1.1566 -1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3764 2.2747 -0.9396 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4531 0.3410 -2.1725 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 0.7582 -2.9561 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3476 -0.3864 -3.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 -1.5373 -2.9242 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0386 -0.3781 -3.3612 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7271 -1.6381 -3.4547 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4723 -1.8530 -2.0983 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3744 -3.4186 -2.1442 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.8492 -1.5996 -4.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6116 -0.6366 -4.3439 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0094 -2.5928 -5.4354 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9976 -2.7793 -6.4446 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6662 -1.4906 -6.9438 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3816 -0.8438 -5.9656 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4407 -3.5103 -7.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2348 -3.8874 -7.5165 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1404 -3.8358 -8.7466 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5712 -4.5327 -9.8786 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.0738 -5.9502 -10.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4104 -6.4618 -11.1797 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8882 -3.8175 -11.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5617 -2.7563 -11.0991 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4542 -4.3065 -12.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8330 1.1597 -4.3084 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7783 1.6773 -5.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8768 2.2504 -4.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5272 2.6463 -5.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1417 -3.2954 -1.5923 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3345 -4.7930 -1.7894 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0304 -2.6922 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3970 -5.5716 5.5530 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4690 -5.4929 6.8435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1378 -4.3793 4.9271 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2956 -6.3427 4.4239 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7559 -5.2765 3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7698 -6.1505 4.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1901 -8.1130 0.5431 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1434 -8.6814 1.6396 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9590 -8.2218 -0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3961 12.3666 5.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3700 11.4401 4.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0797 13.3728 3.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6520 12.4754 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 12.3225 1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4653 10.5153 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0505 10.1921 1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9114 11.0147 4.2149 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4728 10.6041 3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0570 8.7834 4.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8775 8.7496 4.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7828 8.9132 6.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7596 5.8556 6.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0528 6.8967 6.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3629 5.5797 4.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3060 5.6656 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1875 7.1777 1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1086 8.6023 3.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1873 8.4788 5.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9953 8.0023 8.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0140 6.4499 9.9519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0821 5.0907 9.9687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3433 3.9719 8.7673 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 3.2650 10.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9038 5.5664 12.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1958 4.9871 11.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 4.0624 12.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 3.3529 11.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4124 2.4328 12.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7583 2.0398 10.5003 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 4.2561 8.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 4.0927 8.9187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4457 4.8450 7.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6554 6.7725 9.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3956 6.6512 7.4666 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7725 5.4579 10.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7692 6.7387 9.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5924 8.6585 9.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7213 4.2468 8.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1205 3.5410 6.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2544 2.3549 7.9689 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6790 1.9970 7.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4388 0.7603 6.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7533 0.1264 6.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7402 1.9112 4.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5212 0.6801 4.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8675 3.0506 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5574 0.1240 2.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1390 0.9138 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0013 2.3291 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5298 1.9542 2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7782 0.6226 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2281 0.0981 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7740 -1.4039 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4123 -1.6190 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0324 -1.3080 3.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0114 0.0178 3.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8175 1.3626 2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 2.7568 0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2774 1.1239 -0.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9899 1.1169 2.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3475 -1.0285 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7505 0.8408 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7159 -0.5612 4.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7616 -2.0893 3.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7767 -1.0329 2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4665 -2.8245 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1694 1.3923 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3801 1.4685 3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0521 -1.3838 3.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7632 -0.8719 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5991 -0.5052 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4223 0.4171 5.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3698 2.9127 7.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7445 1.7722 6.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0104 3.3991 5.9953 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7439 4.1791 5.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 8.9017 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7126 6.0824 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9814 6.0489 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1265 6.5159 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3405 8.1054 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2057 5.6210 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1377 5.7309 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2225 6.4442 -3.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6323 8.2124 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0297 5.7006 -5.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 6.2324 -4.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7286 8.3016 -2.9464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9028 8.8734 -4.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7212 8.6195 -4.8547 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6136 5.8886 -5.1966 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2747 7.2905 -6.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3156 4.9874 -7.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8830 5.6264 -9.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7403 4.1007 -9.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5538 3.1975 -10.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 3.6719 -9.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7072 3.1242 -10.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9608 2.3066 -11.9066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0958 5.7512 -10.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7384 1.0694 -10.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8361 -0.0843 -7.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3672 -1.5195 -10.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8034 -1.5600 -8.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3292 0.7796 -10.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4233 -0.4309 -9.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0214 1.8179 -8.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1469 0.6336 -7.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2702 1.8791 -9.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6414 1.9610 -7.7923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7786 2.3484 -6.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1150 -1.9275 -6.6866 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7296 -4.0831 -8.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2311 -4.2315 -6.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3923 -2.8488 -5.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5854 -2.8347 -8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8282 -6.2439 -6.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3889 -5.5589 -4.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2359 -7.9429 -6.4455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3501 -6.3216 -6.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7585 -6.9023 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 -7.4964 -2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3862 -8.2407 -3.8324 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1819 -8.7318 -6.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6181 -8.5781 -8.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2419 -7.9349 -7.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1097 -9.5725 -3.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 -9.5056 -4.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7639 -10.4443 -3.6832 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 -11.6043 -3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4781 -10.7711 -1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 -10.3960 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5652 -8.1579 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4200 -8.8542 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5140 -10.0752 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3685 -7.5169 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1281 -8.4840 4.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9568 -5.8496 4.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2532 -7.7415 5.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7263 -5.0005 4.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -4.1986 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8144 -5.1089 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0492 -6.7501 3.5748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2958 -6.9560 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8328 -5.1628 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1371 -7.5558 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2089 -4.9664 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1880 -4.0326 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 -5.5845 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 -3.6531 -2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 -3.4166 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5688 -0.6182 -0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8231 0.9402 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8953 1.6126 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8686 -0.5328 -2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7997 1.5726 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5413 0.5064 -3.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -2.5029 -3.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1490 -0.9916 -1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7106 -1.8856 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6904 -3.1177 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2071 -3.3495 -5.4017 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8572 -3.3350 -5.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9590 -0.8098 -7.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3767 -1.7784 -7.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0860 -0.2516 -6.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1553 -3.5376 -8.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4539 -4.6281 -9.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7763 -6.6071 -9.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1585 -5.9815 -10.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4961 -6.8035 -10.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0617 -4.7495 -13.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3971 0.2971 -4.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1167 1.8106 -6.2611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3829 2.6262 -4.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0826 0.9728 -5.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6751 1.8950 -3.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4564 3.1404 -3.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7669 2.9152 -6.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3674 3.3399 -5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0176 1.6886 -5.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1042 -2.9219 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5881 -5.3280 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0208 -5.0702 -2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3312 -5.1469 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5168 -3.3476 -3.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5600 -1.7271 -2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9581 -2.5167 -3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4050 -5.7571 5.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6578 -6.4660 7.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -4.8892 7.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3647 -4.8729 6.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6709 -3.6427 5.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 -6.1302 5.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6075 -4.9412 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0184 -5.7545 2.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4231 -4.3524 3.9443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3185 -6.9018 5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9285 -5.1829 5.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2586 -6.0417 3.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9716 -7.0779 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6793 -7.8690 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9721 -9.2809 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6363 -9.4246 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2285 -9.1877 -0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
207206 1 0
206204 1 0
204205 1 0
204182 1 0
182181 1 0
181179 1 0
179180 2 0
179178 1 0
178177 1 0
177175 1 0
175176 2 0
175174 1 0
174173 1 0
173171 1 0
171172 2 0
171170 1 0
170169 1 0
169167 1 0
167168 2 0
167166 1 0
166165 1 0
165164 1 0
164163 1 0
163162 1 0
162160 1 0
160161 2 0
160159 1 0
159158 1 0
158156 1 0
156157 2 0
156155 1 0
155154 1 0
154152 1 0
152153 2 0
152151 1 0
151150 1 0
150148 1 0
148149 2 0
148147 1 0
147146 1 0
146145 1 0
145144 1 0
144143 1 0
143141 1 0
141142 2 0
141130 1 0
130131 1 0
131132 1 0
132133 2 0
133134 1 0
134135 1 0
135140 2 0
140139 1 0
139138 2 0
138137 1 0
137136 2 0
130129 1 0
129127 1 0
127128 2 0
127124 1 0
124125 1 0
125126 1 0
124123 1 0
123121 1 0
121122 2 0
121112 1 0
112113 1 0
113114 1 0
114115 1 0
115116 1 0
116117 1 0
117118 1 0
117119 2 0
112111 1 0
111109 1 0
109110 2 0
109106 1 0
106107 1 0
107108 1 0
106105 1 0
105103 1 0
103104 2 0
103102 1 0
102101 1 0
101 99 1 0
99100 2 0
99 98 1 0
98 97 1 0
97 95 1 0
95 96 2 0
95 94 1 0
94 93 1 0
93 91 1 0
91 92 2 0
91 88 1 0
88 89 1 0
89 90 1 0
88 87 1 0
87 85 1 0
85 86 2 0
85 82 1 0
82 83 1 0
83 84 1 0
82 81 1 0
81 79 1 0
79 80 2 0
79 9 1 0
9 8 1 0
8 7 1 0
7 6 1 0
6 5 1 0
5 3 1 0
3 4 1 0
3 2 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
13 21 1 0
21 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
24 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
33 34 1 0
34 35 2 0
34 36 1 0
36 37 1 0
37 38 1 0
36 39 1 0
39 40 1 0
40 41 2 0
40 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
49 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
58 59 1 0
59 60 1 0
60 61 2 0
60 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 67 1 0
65 66 2 0
62 68 1 0
68 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
71 74 1 0
74 75 1 0
75 76 2 0
75 77 1 0
77 78 1 0
151217 1 0
217218 1 0
217219 1 0
155214 1 0
214215 1 0
214216 1 0
159211 1 0
211212 1 0
211213 1 0
174208 1 0
208209 1 0
208210 1 0
182183 1 0
183184 2 0
183185 1 0
185186 1 0
186187 1 0
187188 1 0
186189 1 0
189190 2 0
189191 1 0
191192 1 0
192193 1 0
193194 1 0
192195 1 0
195196 2 0
195197 1 0
197198 1 0
198199 1 0
199200 1 0
198201 1 0
201203 1 0
201202 2 0
162166 1 0
143147 1 0
140132 1 0
20 15 1 0
46 42 1 0
136135 1 0
207399 1 0
207400 1 0
207401 1 0
206397 1 0
206398 1 0
204393 1 6
205394 1 0
205395 1 0
205396 1 0
182376 1 1
181375 1 0
178373 1 0
178374 1 0
177372 1 0
174371 1 1
173370 1 0
170368 1 0
170369 1 0
169367 1 0
166366 1 6
165364 1 0
165365 1 0
164362 1 0
164363 1 0
163360 1 0
163361 1 0
159359 1 1
158358 1 0
155357 1 1
154356 1 0
151355 1 6
150354 1 0
147353 1 1
146351 1 0
146352 1 0
145349 1 0
145350 1 0
144347 1 0
144348 1 0
130338 1 1
131339 1 0
131340 1 0
133341 1 0
134342 1 0
139346 1 0
138345 1 0
137344 1 0
136343 1 0
129337 1 0
124333 1 6
125334 1 0
125335 1 0
126336 1 0
123332 1 0
112322 1 1
113323 1 0
113324 1 0
114325 1 0
114326 1 0
115327 1 0
115328 1 0
116329 1 0
118330 1 0
118331 1 0
119120 1 0
111321 1 0
106317 1 1
107318 1 0
107319 1 0
108320 1 0
105316 1 0
102314 1 0
102315 1 0
101313 1 0
98311 1 0
98312 1 0
97310 1 0
94308 1 0
94309 1 0
93307 1 0
88303 1 6
89304 1 0
89305 1 0
90306 1 0
87302 1 0
82298 1 1
83299 1 0
83300 1 0
84301 1 0
81297 1 0
9229 1 1
8227 1 0
8228 1 0
7225 1 0
7226 1 0
6223 1 0
6224 1 0
5222 1 0
4220 1 0
4221 1 0
2 1 1 0
10230 1 0
13231 1 1
14232 1 0
14233 1 0
16234 1 0
17235 1 0
18236 1 0
19237 1 0
20238 1 0
21239 1 0
24240 1 1
25241 1 0
25242 1 0
26243 1 6
27244 1 0
27245 1 0
27246 1 0
28247 1 0
28248 1 0
28249 1 0
29250 1 0
32251 1 0
32252 1 0
33253 1 0
36254 1 6
37255 1 0
37256 1 0
38257 1 0
39258 1 0
42259 1 6
43260 1 0
43261 1 0
44262 1 0
44263 1 0
45264 1 0
45265 1 0
49266 1 6
50267 1 0
50268 1 0
51269 1 0
51270 1 0
52271 1 0
52272 1 0
53273 1 0
53274 1 0
54275 1 0
54276 1 0
55277 1 0
58278 1 0
58279 1 0
59280 1 0
62281 1 6
63282 1 0
63283 1 0
64284 1 0
64285 1 0
67286 1 0
68287 1 0
71288 1 6
72289 1 0
72290 1 0
73291 1 0
74292 1 0
77293 1 0
77294 1 0
78295 1 0
78296 1 0
217421 1 1
218422 1 0
218423 1 0
218424 1 0
219425 1 0
214414 1 1
215415 1 0
215416 1 0
215417 1 0
216418 1 0
216419 1 0
216420 1 0
211409 1 1
212410 1 0
212411 1 0
212412 1 0
213413 1 0
208402 1 1
209403 1 0
209404 1 0
209405 1 0
210406 1 0
210407 1 0
210408 1 0
185377 1 0
186378 1 6
187379 1 0
187380 1 0
188381 1 0
191382 1 0
192383 1 1
193384 1 0
193385 1 0
194386 1 0
197387 1 0
198388 1 1
199389 1 0
199390 1 0
200391 1 0
203392 1 0
M END
3D SDF for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)
Mrv1652304292207232D
217222 0 0 1 0 999 V2000
-4.2814 -18.5671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9172 -19.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7799 -19.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4158 -20.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2785 -21.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5053 -21.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3680 -22.3467 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.9143 -21.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7770 -22.5846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4129 -23.1102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1860 -22.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8219 -23.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5950 -23.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7323 -22.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2309 -23.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2755 -23.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9114 -24.4494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7741 -25.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4099 -25.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2726 -26.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.9085 -27.1277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.6816 -26.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8189 -26.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5921 -25.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7294 -24.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5026 -24.6372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.7711 -27.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4070 -28.4669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2060 -28.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6483 -28.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1226 -29.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3555 -29.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6590 -29.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9278 -29.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2314 -29.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.2662 -30.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5698 -31.0594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.5001 -29.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8037 -29.8532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0725 -29.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3760 -29.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6448 -29.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9484 -29.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9832 -30.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2868 -31.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5555 -30.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -32.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2171 -29.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5207 -30.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 -29.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2454 -28.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9766 -28.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0114 -27.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7427 -27.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 -27.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 -28.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6730 -28.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9070 -30.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6382 -29.7124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3346 -30.1547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2998 -30.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5686 -31.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5338 -32.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8025 -32.5672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7677 -33.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 -33.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0364 -33.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0659 -29.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 -30.2150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4936 -29.8331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5284 -29.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2596 -28.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -30.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9212 -29.8934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6177 -30.3357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5828 -31.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2793 -31.6022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.3489 -29.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0453 -30.3960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7766 -30.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 -30.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2042 -30.0743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9007 -30.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6319 -30.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3283 -30.5769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0596 -30.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7560 -30.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4872 -30.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.1837 -30.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.1488 -31.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8453 -31.9641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
15.9149 -30.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6113 -30.7578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.3426 -30.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3774 -29.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1086 -29.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1435 -28.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8747 -27.9634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.9095 -27.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6408 -26.7571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.2131 -26.6968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.0390 -30.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7702 -30.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4667 -30.8785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.4318 -31.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1283 -32.1450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
20.1979 -30.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8943 -30.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.6256 -30.5568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.3220 -30.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.2872 -31.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5999 -32.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8215 -33.0744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6457 -33.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9336 -32.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7471 -32.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2727 -32.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9849 -33.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1714 -33.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6604 -29.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3916 -29.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.1305 -29.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7079 -29.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3259 -28.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5124 -28.5345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.9232 -27.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1286 -27.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.5394 -26.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.7447 -26.8022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.1554 -26.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5393 -27.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7448 -25.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.1556 -25.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.3610 -24.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.1557 -24.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3611 -23.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7449 -24.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7717 -23.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9772 -23.0287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.3879 -22.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5933 -22.6729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.3878 -23.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0040 -22.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.5934 -21.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0041 -21.0749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.1249 -20.2588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.8562 -19.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8910 -19.0525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.6222 -18.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6570 -17.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3883 -17.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.4231 -16.6401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.7267 -16.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7615 -15.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9954 -16.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1544 -16.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1892 -15.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.9204 -15.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.9552 -14.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6865 -13.8456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.7213 -13.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
24.0249 -12.5790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.2936 -12.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.0597 -11.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3633 -11.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4526 -12.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4874 -11.8151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.2186 -11.4331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
26.9150 -11.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.6463 -11.4934 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
26.2534 -10.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.9847 -10.2269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.0195 -9.4026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
26.3231 -8.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.3579 -8.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27.7507 -9.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
27.7856 -8.1964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
28.5168 -7.8144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
28.5516 -6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.2829 -6.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.2132 -8.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.1784 -9.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.9445 -7.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28.4472 -9.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
25.5570 -10.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26.1490 -13.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2588 -13.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.8508 -16.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9606 -17.4040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5526 -20.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3861 -19.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8087 -20.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1906 -21.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3881 -21.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.9771 -24.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.5395 -25.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.1285 -28.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9640 -29.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.2327 -29.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0042 -31.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9497 -29.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7212 -31.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6667 -29.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4382 -31.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3837 -29.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1552 -31.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1007 -28.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8722 -30.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1823 -28.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4109 -30.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4653 -28.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6939 -30.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9980 -28.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1831 -25.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5024 -24.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6875 -21.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0068 -20.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
10 9 1 6 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
10 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
21 20 1 6 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
21 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
28 32 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 6 0 0 0
33 34 1 0 0 0 0
35 34 1 6 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
35 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
43 42 1 6 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
43 48 1 0 0 0 0
48 49 1 0 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
52 57 1 0 0 0 0
50 58 1 0 0 0 0
58 59 1 0 0 0 0
60 59 1 6 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
60 68 1 0 0 0 0
68 69 1 0 0 0 0
70 69 1 1 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 1 0 0 0 0
75 74 1 6 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
89 88 1 6 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
89 92 1 0 0 0 0
92 93 1 0 0 0 0
94 93 1 1 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
99101 2 0 0 0 0
94102 1 0 0 0 0
102103 1 0 0 0 0
104103 1 6 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
104107 1 0 0 0 0
107108 1 0 0 0 0
109108 1 6 0 0 0
109110 1 0 0 0 0
110111 1 0 0 0 0
111112 2 0 0 0 0
112113 1 0 0 0 0
113114 1 0 0 0 0
114115 2 0 0 0 0
111115 1 0 0 0 0
115116 1 0 0 0 0
116117 2 0 0 0 0
117118 1 0 0 0 0
118119 2 0 0 0 0
114119 1 0 0 0 0
109120 1 0 0 0 0
120121 1 0 0 0 0
121122 1 0 0 0 0
122123 1 0 0 0 0
123124 1 0 0 0 0
124125 1 0 0 0 0
121125 1 0 0 0 0
125126 1 6 0 0 0
126127 1 0 0 0 0
128127 1 1 0 0 0
128129 1 0 0 0 0
129130 1 1 0 0 0
129131 1 0 0 0 0
128132 1 0 0 0 0
132133 1 0 0 0 0
134133 1 6 0 0 0
134135 1 0 0 0 0
135136 1 0 0 0 0
135137 1 0 0 0 0
134138 1 0 0 0 0
138139 1 0 0 0 0
140139 1 1 0 0 0
140141 1 0 0 0 0
141142 1 0 0 0 0
141143 1 1 0 0 0
140144 1 0 0 0 0
144145 1 0 0 0 0
145146 1 0 0 0 0
146147 1 1 0 0 0
147148 1 0 0 0 0
148149 1 0 0 0 0
149150 1 0 0 0 0
150151 1 0 0 0 0
152151 1 1 0 0 0
152153 1 0 0 0 0
153154 1 0 0 0 0
153155 1 0 0 0 0
152156 1 0 0 0 0
156157 1 0 0 0 0
157158 1 0 0 0 0
158159 1 0 0 0 0
159160 1 0 0 0 0
161160 1 1 0 0 0
161162 1 0 0 0 0
162163 1 1 0 0 0
162164 1 0 0 0 0
164165 1 0 0 0 0
161166 1 0 0 0 0
166167 1 0 0 0 0
168167 1 6 0 0 0
168169 1 0 0 0 0
169170 1 0 0 0 0
168171 1 0 0 0 0
171172 1 0 0 0 0
173172 1 1 0 0 0
173174 1 0 0 0 0
174175 1 0 0 0 0
173176 1 0 0 0 0
176177 1 0 0 0 0
178177 1 1 0 0 0
178179 1 0 0 0 0
179180 1 0 0 0 0
178181 1 0 0 0 0
181182 1 0 0 0 0
181183 2 0 0 0 0
176184 2 0 0 0 0
171185 2 0 0 0 0
166186 2 0 0 0 0
159187 2 0 0 0 0
156188 2 0 0 0 0
150189 2 0 0 0 0
147190 2 0 0 0 0
146191 1 0 0 0 0
191192 1 0 0 0 0
192193 1 0 0 0 0
145193 1 0 0 0 0
144194 2 0 0 0 0
138195 2 0 0 0 0
132196 2 0 0 0 0
126197 2 0 0 0 0
120198 2 0 0 0 0
107199 2 0 0 0 0
102200 2 0 0 0 0
92201 2 0 0 0 0
87202 2 0 0 0 0
84203 2 0 0 0 0
81204 2 0 0 0 0
78205 2 0 0 0 0
73206 2 0 0 0 0
68207 2 0 0 0 0
58208 2 0 0 0 0
48209 2 0 0 0 0
41210 2 0 0 0 0
38211 2 0 0 0 0
33212 2 0 0 0 0
27213 2 0 0 0 0
19214 2 0 0 0 0
16215 2 0 0 0 0
8216 2 0 0 0 0
3217 2 0 0 0 0
M END
> <DATABASE_ID>
NP0084718
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C131H208N40O40S6/c1-11-66(8)103(124(205)163-88(62-217)118(199)158-80(54-172)113(194)159-82(56-174)129(210)211)165-99(184)53-147-122(203)101(64(4)5)164-98(183)52-146-119(200)89-31-21-41-171(89)128(209)105(68(10)176)168-123(204)102(65(6)7)166-125(206)104(67(9)175)167-121(202)91-33-23-40-170(91)127(208)79(44-70-46-140-72-27-16-15-26-71(70)72)156-117(198)87(61-216)161-110(191)74(30-20-38-139-131(136)137)153-116(197)86(60-215)151-95(180)49-142-93(178)47-141-94(179)48-143-107(188)83(57-212)160-114(195)81(55-173)157-109(190)73(29-19-37-138-130(134)135)152-112(193)78(43-69-24-13-12-14-25-69)155-111(192)77(42-63(2)3)149-97(182)51-145-108(189)84(58-213)162-120(201)90-32-22-39-169(90)126(207)76(28-17-18-36-132)148-96(181)50-144-106(187)75(34-35-100(185)186)154-115(196)85(59-214)150-92(177)45-133/h12-16,24-27,46,63-68,73-91,101-105,140,172-176,212-217H,11,17-23,28-45,47-62,132-133H2,1-10H3,(H,141,179)(H,142,178)(H,143,188)(H,144,187)(H,145,189)(H,146,200)(H,147,203)(H,148,181)(H,149,182)(H,150,177)(H,151,180)(H,152,193)(H,153,197)(H,154,196)(H,155,192)(H,156,198)(H,157,190)(H,158,199)(H,159,194)(H,160,195)(H,161,191)(H,162,201)(H,163,205)(H,164,183)(H,165,184)(H,166,206)(H,167,202)(H,168,204)(H,185,186)(H,210,211)(H4,134,135,138)(H4,136,137,139)/t66-,67+,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-/m0/s1
> <INCHI_KEY>
QMINERUCTZDTOL-PZZYYIRSSA-N
> <FORMULA>
C131H208N40O40S6
> <MOLECULAR_WEIGHT>
3175.71
> <EXACT_MASS>
3173.379578702
> <JCHEM_ACCEPTOR_COUNT>
48
> <JCHEM_ATOM_COUNT>
425
> <JCHEM_AVERAGE_POLARIZABILITY>
318.0074058434568
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
50
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(4S)-4-[({[(2S)-6-amino-1-[(2S)-2-{[(1R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-{[({[({[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(2S)-1-[(2S)-2-{[(1S,2R)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-[({[(1S)-1-[({[(1S,2S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]butanoic acid
> <ALOGPS_LOGP>
-0.49
> <JCHEM_LOGP>
-23.87951984399942
> <ALOGPS_LOGS>
-5.15
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
2
> <JCHEM_PKA>
3.68842066120849
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.981528298846896
> <JCHEM_PKA_STRONGEST_BASIC>
12.166041973766477
> <JCHEM_POLAR_SURFACE_AREA>
1243.11
> <JCHEM_REFRACTIVITY>
807.2868000000012
> <JCHEM_ROTATABLE_BOND_COUNT>
96
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.27e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-[({[(2S)-6-amino-1-[(2S)-2-{[(1R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-{[({[({[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(2S)-1-[(2S)-2-{[(1S,2R)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-[({[(1S)-1-[({[(1S,2S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]butanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 N UNK 0 -7.992 -34.659 0.000 0.00 0.00 N+0 HETATM 2 C UNK 0 -9.179 -35.640 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -8.923 -37.158 0.000 0.00 0.00 C+0 HETATM 4 N UNK 0 -10.109 -38.140 0.000 0.00 0.00 N+0 HETATM 5 C UNK 0 -9.853 -39.658 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -8.410 -40.195 0.000 0.00 0.00 C+0 HETATM 7 S UNK 0 -8.154 -41.714 0.000 0.00 0.00 S+0 HETATM 8 C UNK 0 -11.040 -40.639 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 -10.784 -42.158 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -11.971 -43.139 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -13.414 -42.602 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -14.601 -43.583 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -16.044 -43.046 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 -16.300 -41.527 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 -17.231 -44.027 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -11.714 -44.658 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 -12.901 -45.639 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 -12.645 -47.157 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -13.832 -48.139 0.000 0.00 0.00 C+0 HETATM 20 N UNK 0 -13.576 -49.657 0.000 0.00 0.00 N+0 HETATM 21 C UNK 0 -14.762 -50.638 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -16.206 -50.101 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -16.462 -48.583 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -17.905 -48.045 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -18.162 -46.527 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 -19.605 -45.990 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 -14.506 -52.157 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -15.693 -53.138 0.000 0.00 0.00 N+0 HETATM 29 C UNK 0 -17.185 -52.755 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -18.010 -54.055 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -17.029 -55.242 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -15.597 -54.675 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -14.297 -55.501 0.000 0.00 0.00 C+0 HETATM 34 N UNK 0 -12.932 -54.788 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 -11.632 -55.613 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -11.697 -57.152 0.000 0.00 0.00 C+0 HETATM 37 S UNK 0 -10.397 -57.978 0.000 0.00 0.00 S+0 HETATM 38 C UNK 0 -10.267 -54.900 0.000 0.00 0.00 C+0 HETATM 39 N UNK 0 -8.967 -55.726 0.000 0.00 0.00 N+0 HETATM 40 C UNK 0 -7.602 -55.013 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -6.302 -55.838 0.000 0.00 0.00 C+0 HETATM 42 N UNK 0 -4.937 -55.125 0.000 0.00 0.00 N+0 HETATM 43 C UNK 0 -3.637 -55.951 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -3.702 -57.490 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.402 -58.315 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.037 -57.602 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.467 -59.854 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.272 -55.238 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 -0.972 -56.064 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 0.393 -55.351 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 0.458 -53.812 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 1.823 -53.099 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 1.888 -51.560 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 3.253 -50.847 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 4.553 -51.673 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 4.488 -53.212 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 3.123 -53.925 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 1.693 -56.176 0.000 0.00 0.00 C+0 HETATM 59 N UNK 0 3.058 -55.463 0.000 0.00 0.00 N+0 HETATM 60 C UNK 0 4.358 -56.289 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 4.293 -57.827 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 2.928 -58.540 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 2.863 -60.079 0.000 0.00 0.00 C+0 HETATM 64 N UNK 0 1.498 -60.792 0.000 0.00 0.00 N+0 HETATM 65 C UNK 0 1.433 -62.331 0.000 0.00 0.00 C+0 HETATM 66 N UNK 0 2.733 -63.156 0.000 0.00 0.00 N+0 HETATM 67 N UNK 0 0.068 -63.044 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 5.723 -55.576 0.000 0.00 0.00 C+0 HETATM 69 N UNK 0 7.023 -56.401 0.000 0.00 0.00 N+0 HETATM 70 C UNK 0 8.388 -55.688 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 8.453 -54.150 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 9.818 -53.437 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 9.688 -56.514 0.000 0.00 0.00 C+0 HETATM 74 N UNK 0 11.053 -55.801 0.000 0.00 0.00 N+0 HETATM 75 C UNK 0 12.353 -56.627 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 12.288 -58.165 0.000 0.00 0.00 C+0 HETATM 77 S UNK 0 13.588 -58.991 0.000 0.00 0.00 S+0 HETATM 78 C UNK 0 13.718 -55.914 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 15.018 -56.739 0.000 0.00 0.00 N+0 HETATM 80 C UNK 0 16.383 -56.026 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 17.683 -56.852 0.000 0.00 0.00 C+0 HETATM 82 N UNK 0 19.048 -56.139 0.000 0.00 0.00 N+0 HETATM 83 C UNK 0 20.348 -56.964 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 21.713 -56.251 0.000 0.00 0.00 C+0 HETATM 85 N UNK 0 23.013 -57.077 0.000 0.00 0.00 N+0 HETATM 86 C UNK 0 24.378 -56.364 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 25.678 -57.189 0.000 0.00 0.00 C+0 HETATM 88 N UNK 0 27.043 -56.476 0.000 0.00 0.00 N+0 HETATM 89 C UNK 0 28.343 -57.302 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 28.278 -58.841 0.000 0.00 0.00 C+0 HETATM 91 S UNK 0 29.578 -59.666 0.000 0.00 0.00 S+0 HETATM 92 C UNK 0 29.708 -56.589 0.000 0.00 0.00 C+0 HETATM 93 N UNK 0 31.008 -57.415 0.000 0.00 0.00 N+0 HETATM 94 C UNK 0 32.373 -56.702 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 32.438 -55.163 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 33.803 -54.450 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 33.868 -52.911 0.000 0.00 0.00 C+0 HETATM 98 N UNK 0 35.233 -52.198 0.000 0.00 0.00 N+0 HETATM 99 C UNK 0 35.298 -50.660 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 36.663 -49.947 0.000 0.00 0.00 N+0 HETATM 101 N UNK 0 33.998 -49.834 0.000 0.00 0.00 N+0 HETATM 102 C UNK 0 33.673 -57.527 0.000 0.00 0.00 C+0 HETATM 103 N UNK 0 35.038 -56.814 0.000 0.00 0.00 N+0 HETATM 104 C UNK 0 36.338 -57.640 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 36.273 -59.178 0.000 0.00 0.00 C+0 HETATM 106 S UNK 0 37.573 -60.004 0.000 0.00 0.00 S+0 HETATM 107 C UNK 0 37.703 -56.927 0.000 0.00 0.00 C+0 HETATM 108 N UNK 0 39.003 -57.752 0.000 0.00 0.00 N+0 HETATM 109 C UNK 0 40.368 -57.039 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 41.668 -57.865 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 41.603 -59.404 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 40.320 -60.255 0.000 0.00 0.00 C+0 HETATM 113 N UNK 0 40.733 -61.739 0.000 0.00 0.00 N+0 HETATM 114 C UNK 0 42.272 -61.804 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 42.809 -60.361 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 44.328 -60.104 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 45.309 -61.291 0.000 0.00 0.00 C+0 HETATM 118 C UNK 0 44.772 -62.734 0.000 0.00 0.00 C+0 HETATM 119 C UNK 0 43.253 -62.991 0.000 0.00 0.00 C+0 HETATM 120 C UNK 0 40.433 -55.501 0.000 0.00 0.00 C+0 HETATM 121 N UNK 0 41.798 -54.788 0.000 0.00 0.00 N+0 HETATM 122 C UNK 0 43.177 -55.473 0.000 0.00 0.00 C+0 HETATM 123 C UNK 0 44.255 -54.373 0.000 0.00 0.00 C+0 HETATM 124 C UNK 0 43.542 -53.008 0.000 0.00 0.00 C+0 HETATM 125 C UNK 0 42.023 -53.264 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 40.923 -52.186 0.000 0.00 0.00 C+0 HETATM 127 N UNK 0 41.307 -50.695 0.000 0.00 0.00 N+0 HETATM 128 C UNK 0 40.207 -49.617 0.000 0.00 0.00 C+0 HETATM 129 C UNK 0 38.723 -50.031 0.000 0.00 0.00 C+0 HETATM 130 O UNK 0 37.623 -48.953 0.000 0.00 0.00 O+0 HETATM 131 C UNK 0 38.340 -51.522 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 40.590 -48.126 0.000 0.00 0.00 C+0 HETATM 133 N UNK 0 39.490 -47.048 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 39.874 -45.556 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 41.357 -45.143 0.000 0.00 0.00 C+0 HETATM 136 C UNK 0 41.741 -43.651 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 42.457 -46.221 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 38.774 -44.478 0.000 0.00 0.00 C+0 HETATM 139 N UNK 0 39.157 -42.987 0.000 0.00 0.00 N+0 HETATM 140 C UNK 0 38.057 -41.909 0.000 0.00 0.00 C+0 HETATM 141 C UNK 0 36.574 -42.323 0.000 0.00 0.00 C+0 HETATM 142 C UNK 0 36.191 -43.814 0.000 0.00 0.00 C+0 HETATM 143 O UNK 0 35.474 -41.245 0.000 0.00 0.00 O+0 HETATM 144 C UNK 0 38.441 -40.418 0.000 0.00 0.00 C+0 HETATM 145 N UNK 0 37.341 -39.340 0.000 0.00 0.00 N+0 HETATM 146 C UNK 0 37.566 -37.816 0.000 0.00 0.00 C+0 HETATM 147 C UNK 0 38.931 -37.103 0.000 0.00 0.00 C+0 HETATM 148 N UNK 0 38.996 -35.565 0.000 0.00 0.00 N+0 HETATM 149 C UNK 0 40.361 -34.852 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 40.426 -33.313 0.000 0.00 0.00 C+0 HETATM 151 N UNK 0 41.791 -32.600 0.000 0.00 0.00 N+0 HETATM 152 C UNK 0 41.856 -31.061 0.000 0.00 0.00 C+0 HETATM 153 C UNK 0 40.556 -30.236 0.000 0.00 0.00 C+0 HETATM 154 C UNK 0 40.621 -28.697 0.000 0.00 0.00 C+0 HETATM 155 C UNK 0 39.191 -30.949 0.000 0.00 0.00 C+0 HETATM 156 C UNK 0 43.221 -30.348 0.000 0.00 0.00 C+0 HETATM 157 N UNK 0 43.286 -28.810 0.000 0.00 0.00 N+0 HETATM 158 C UNK 0 44.651 -28.097 0.000 0.00 0.00 C+0 HETATM 159 C UNK 0 44.716 -26.558 0.000 0.00 0.00 C+0 HETATM 160 N UNK 0 46.081 -25.845 0.000 0.00 0.00 N+0 HETATM 161 C UNK 0 46.146 -24.306 0.000 0.00 0.00 C+0 HETATM 162 C UNK 0 44.846 -23.481 0.000 0.00 0.00 C+0 HETATM 163 C UNK 0 43.481 -24.194 0.000 0.00 0.00 C+0 HETATM 164 C UNK 0 44.911 -21.942 0.000 0.00 0.00 C+0 HETATM 165 C UNK 0 43.611 -21.117 0.000 0.00 0.00 C+0 HETATM 166 C UNK 0 47.511 -23.593 0.000 0.00 0.00 C+0 HETATM 167 N UNK 0 47.576 -22.055 0.000 0.00 0.00 N+0 HETATM 168 C UNK 0 48.941 -21.342 0.000 0.00 0.00 C+0 HETATM 169 C UNK 0 50.241 -22.167 0.000 0.00 0.00 C+0 HETATM 170 S UNK 0 51.606 -21.454 0.000 0.00 0.00 S+0 HETATM 171 C UNK 0 49.006 -19.803 0.000 0.00 0.00 C+0 HETATM 172 N UNK 0 50.371 -19.090 0.000 0.00 0.00 N+0 HETATM 173 C UNK 0 50.436 -17.552 0.000 0.00 0.00 C+0 HETATM 174 C UNK 0 49.136 -16.726 0.000 0.00 0.00 C+0 HETATM 175 O UNK 0 49.201 -15.187 0.000 0.00 0.00 O+0 HETATM 176 C UNK 0 51.801 -16.839 0.000 0.00 0.00 C+0 HETATM 177 N UNK 0 51.866 -15.300 0.000 0.00 0.00 N+0 HETATM 178 C UNK 0 53.231 -14.587 0.000 0.00 0.00 C+0 HETATM 179 C UNK 0 53.296 -13.048 0.000 0.00 0.00 C+0 HETATM 180 O UNK 0 54.661 -12.335 0.000 0.00 0.00 O+0 HETATM 181 C UNK 0 54.531 -15.412 0.000 0.00 0.00 C+0 HETATM 182 O UNK 0 54.466 -16.951 0.000 0.00 0.00 O+0 HETATM 183 O UNK 0 55.896 -14.699 0.000 0.00 0.00 O+0 HETATM 184 O UNK 0 53.101 -17.664 0.000 0.00 0.00 O+0 HETATM 185 O UNK 0 47.706 -18.978 0.000 0.00 0.00 O+0 HETATM 186 O UNK 0 48.811 -24.419 0.000 0.00 0.00 O+0 HETATM 187 O UNK 0 43.416 -25.733 0.000 0.00 0.00 O+0 HETATM 188 O UNK 0 44.521 -31.174 0.000 0.00 0.00 O+0 HETATM 189 O UNK 0 39.126 -32.487 0.000 0.00 0.00 O+0 HETATM 190 O UNK 0 40.231 -37.929 0.000 0.00 0.00 O+0 HETATM 191 C UNK 0 36.187 -37.131 0.000 0.00 0.00 C+0 HETATM 192 C UNK 0 35.109 -38.231 0.000 0.00 0.00 C+0 HETATM 193 C UNK 0 35.823 -39.596 0.000 0.00 0.00 C+0 HETATM 194 O UNK 0 39.924 -40.004 0.000 0.00 0.00 O+0 HETATM 195 O UNK 0 37.291 -44.892 0.000 0.00 0.00 O+0 HETATM 196 O UNK 0 42.074 -47.712 0.000 0.00 0.00 O+0 HETATM 197 O UNK 0 39.440 -52.600 0.000 0.00 0.00 O+0 HETATM 198 O UNK 0 39.133 -54.675 0.000 0.00 0.00 O+0 HETATM 199 O UNK 0 37.768 -55.388 0.000 0.00 0.00 O+0 HETATM 200 O UNK 0 33.608 -59.066 0.000 0.00 0.00 O+0 HETATM 201 O UNK 0 29.773 -55.050 0.000 0.00 0.00 O+0 HETATM 202 O UNK 0 25.613 -58.728 0.000 0.00 0.00 O+0 HETATM 203 O UNK 0 21.778 -54.713 0.000 0.00 0.00 O+0 HETATM 204 O UNK 0 17.618 -58.390 0.000 0.00 0.00 O+0 HETATM 205 O UNK 0 13.783 -54.375 0.000 0.00 0.00 O+0 HETATM 206 O UNK 0 9.623 -58.053 0.000 0.00 0.00 O+0 HETATM 207 O UNK 0 5.788 -54.037 0.000 0.00 0.00 O+0 HETATM 208 O UNK 0 1.628 -57.715 0.000 0.00 0.00 O+0 HETATM 209 O UNK 0 -2.207 -53.699 0.000 0.00 0.00 O+0 HETATM 210 O UNK 0 -6.367 -57.377 0.000 0.00 0.00 O+0 HETATM 211 O UNK 0 -10.202 -53.362 0.000 0.00 0.00 O+0 HETATM 212 O UNK 0 -14.362 -57.039 0.000 0.00 0.00 O+0 HETATM 213 O UNK 0 -13.063 -52.694 0.000 0.00 0.00 O+0 HETATM 214 O UNK 0 -15.275 -47.601 0.000 0.00 0.00 O+0 HETATM 215 O UNK 0 -10.271 -45.195 0.000 0.00 0.00 O+0 HETATM 216 O UNK 0 -12.483 -40.102 0.000 0.00 0.00 O+0 HETATM 217 O UNK 0 -7.479 -37.696 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 217 CONECT 4 3 5 CONECT 5 4 6 8 CONECT 6 5 7 CONECT 7 6 CONECT 8 5 9 216 CONECT 9 8 10 CONECT 10 9 11 16 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 CONECT 16 10 17 215 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 214 CONECT 20 19 21 CONECT 21 20 22 27 CONECT 22 21 23 CONECT 23 22 24 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 CONECT 27 21 28 213 CONECT 28 27 29 32 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 28 31 33 CONECT 33 32 34 212 CONECT 34 33 35 CONECT 35 34 36 38 CONECT 36 35 37 CONECT 37 36 CONECT 38 35 39 211 CONECT 39 38 40 CONECT 40 39 41 CONECT 41 40 42 210 CONECT 42 41 43 CONECT 43 42 44 48 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 CONECT 48 43 49 209 CONECT 49 48 50 CONECT 50 49 51 58 CONECT 51 50 52 CONECT 52 51 53 57 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 CONECT 57 56 52 CONECT 58 50 59 208 CONECT 59 58 60 CONECT 60 59 61 68 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 67 CONECT 66 65 CONECT 67 65 CONECT 68 60 69 207 CONECT 69 68 70 CONECT 70 69 71 73 CONECT 71 70 72 CONECT 72 71 CONECT 73 70 74 206 CONECT 74 73 75 CONECT 75 74 76 78 CONECT 76 75 77 CONECT 77 76 CONECT 78 75 79 205 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 82 204 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 203 CONECT 85 84 86 CONECT 86 85 87 CONECT 87 86 88 202 CONECT 88 87 89 CONECT 89 88 90 92 CONECT 90 89 91 CONECT 91 90 CONECT 92 89 93 201 CONECT 93 92 94 CONECT 94 93 95 102 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 100 101 CONECT 100 99 CONECT 101 99 CONECT 102 94 103 200 CONECT 103 102 104 CONECT 104 103 105 107 CONECT 105 104 106 CONECT 106 105 CONECT 107 104 108 199 CONECT 108 107 109 CONECT 109 108 110 120 CONECT 110 109 111 CONECT 111 110 112 115 CONECT 112 111 113 CONECT 113 112 114 CONECT 114 113 115 119 CONECT 115 114 111 116 CONECT 116 115 117 CONECT 117 116 118 CONECT 118 117 119 CONECT 119 118 114 CONECT 120 109 121 198 CONECT 121 120 122 125 CONECT 122 121 123 CONECT 123 122 124 CONECT 124 123 125 CONECT 125 124 121 126 CONECT 126 125 127 197 CONECT 127 126 128 CONECT 128 127 129 132 CONECT 129 128 130 131 CONECT 130 129 CONECT 131 129 CONECT 132 128 133 196 CONECT 133 132 134 CONECT 134 133 135 138 CONECT 135 134 136 137 CONECT 136 135 CONECT 137 135 CONECT 138 134 139 195 CONECT 139 138 140 CONECT 140 139 141 144 CONECT 141 140 142 143 CONECT 142 141 CONECT 143 141 CONECT 144 140 145 194 CONECT 145 144 146 193 CONECT 146 145 147 191 CONECT 147 146 148 190 CONECT 148 147 149 CONECT 149 148 150 CONECT 150 149 151 189 CONECT 151 150 152 CONECT 152 151 153 156 CONECT 153 152 154 155 CONECT 154 153 CONECT 155 153 CONECT 156 152 157 188 CONECT 157 156 158 CONECT 158 157 159 CONECT 159 158 160 187 CONECT 160 159 161 CONECT 161 160 162 166 CONECT 162 161 163 164 CONECT 163 162 CONECT 164 162 165 CONECT 165 164 CONECT 166 161 167 186 CONECT 167 166 168 CONECT 168 167 169 171 CONECT 169 168 170 CONECT 170 169 CONECT 171 168 172 185 CONECT 172 171 173 CONECT 173 172 174 176 CONECT 174 173 175 CONECT 175 174 CONECT 176 173 177 184 CONECT 177 176 178 CONECT 178 177 179 181 CONECT 179 178 180 CONECT 180 179 CONECT 181 178 182 183 CONECT 182 181 CONECT 183 181 CONECT 184 176 CONECT 185 171 CONECT 186 166 CONECT 187 159 CONECT 188 156 CONECT 189 150 CONECT 190 147 CONECT 191 146 192 CONECT 192 191 193 CONECT 193 192 145 CONECT 194 144 CONECT 195 138 CONECT 196 132 CONECT 197 126 CONECT 198 120 CONECT 199 107 CONECT 200 102 CONECT 201 92 CONECT 202 87 CONECT 203 84 CONECT 204 81 CONECT 205 78 CONECT 206 73 CONECT 207 68 CONECT 208 58 CONECT 209 48 CONECT 210 41 CONECT 211 38 CONECT 212 33 CONECT 213 27 CONECT 214 19 CONECT 215 16 CONECT 216 8 CONECT 217 3 MASTER 0 0 0 0 0 0 0 0 217 0 444 0 END SMILES for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O INCHI for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2)InChI=1S/C131H208N40O40S6/c1-11-66(8)103(124(205)163-88(62-217)118(199)158-80(54-172)113(194)159-82(56-174)129(210)211)165-99(184)53-147-122(203)101(64(4)5)164-98(183)52-146-119(200)89-31-21-41-171(89)128(209)105(68(10)176)168-123(204)102(65(6)7)166-125(206)104(67(9)175)167-121(202)91-33-23-40-170(91)127(208)79(44-70-46-140-72-27-16-15-26-71(70)72)156-117(198)87(61-216)161-110(191)74(30-20-38-139-131(136)137)153-116(197)86(60-215)151-95(180)49-142-93(178)47-141-94(179)48-143-107(188)83(57-212)160-114(195)81(55-173)157-109(190)73(29-19-37-138-130(134)135)152-112(193)78(43-69-24-13-12-14-25-69)155-111(192)77(42-63(2)3)149-97(182)51-145-108(189)84(58-213)162-120(201)90-32-22-39-169(90)126(207)76(28-17-18-36-132)148-96(181)50-144-106(187)75(34-35-100(185)186)154-115(196)85(59-214)150-92(177)45-133/h12-16,24-27,46,63-68,73-91,101-105,140,172-176,212-217H,11,17-23,28-45,47-62,132-133H2,1-10H3,(H,141,179)(H,142,178)(H,143,188)(H,144,187)(H,145,189)(H,146,200)(H,147,203)(H,148,181)(H,149,182)(H,150,177)(H,151,180)(H,152,193)(H,153,197)(H,154,196)(H,155,192)(H,156,198)(H,157,190)(H,158,199)(H,159,194)(H,160,195)(H,161,191)(H,162,201)(H,163,205)(H,164,183)(H,165,184)(H,166,206)(H,167,202)(H,168,204)(H,185,186)(H,210,211)(H4,134,135,138)(H4,136,137,139)/t66-,67+,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-/m0/s1 3D Structure for NP0084718 (Momordica cochinchinensis Cytotoxic peptide 2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C131H208N40O40S6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 3175.7100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 3173.37958 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (4S)-4-[({[(2S)-6-amino-1-[(2S)-2-{[(1R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-{[({[({[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(2S)-1-[(2S)-2-{[(1S,2R)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-[({[(1S)-1-[({[(1S,2S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]butanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (4S)-4-[({[(2S)-6-amino-1-[(2S)-2-{[(1R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-{[({[({[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(2S)-1-[(2S)-2-{[(1S,2R)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-[({[(1S)-1-[({[(1S,2S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)methyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]butanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C131H208N40O40S6/c1-11-66(8)103(124(205)163-88(62-217)118(199)158-80(54-172)113(194)159-82(56-174)129(210)211)165-99(184)53-147-122(203)101(64(4)5)164-98(183)52-146-119(200)89-31-21-41-171(89)128(209)105(68(10)176)168-123(204)102(65(6)7)166-125(206)104(67(9)175)167-121(202)91-33-23-40-170(91)127(208)79(44-70-46-140-72-27-16-15-26-71(70)72)156-117(198)87(61-216)161-110(191)74(30-20-38-139-131(136)137)153-116(197)86(60-215)151-95(180)49-142-93(178)47-141-94(179)48-143-107(188)83(57-212)160-114(195)81(55-173)157-109(190)73(29-19-37-138-130(134)135)152-112(193)78(43-69-24-13-12-14-25-69)155-111(192)77(42-63(2)3)149-97(182)51-145-108(189)84(58-213)162-120(201)90-32-22-39-169(90)126(207)76(28-17-18-36-132)148-96(181)50-144-106(187)75(34-35-100(185)186)154-115(196)85(59-214)150-92(177)45-133/h12-16,24-27,46,63-68,73-91,101-105,140,172-176,212-217H,11,17-23,28-45,47-62,132-133H2,1-10H3,(H,141,179)(H,142,178)(H,143,188)(H,144,187)(H,145,189)(H,146,200)(H,147,203)(H,148,181)(H,149,182)(H,150,177)(H,151,180)(H,152,193)(H,153,197)(H,154,196)(H,155,192)(H,156,198)(H,157,190)(H,158,199)(H,159,194)(H,160,195)(H,161,191)(H,162,201)(H,163,205)(H,164,183)(H,165,184)(H,166,206)(H,167,202)(H,168,204)(H,185,186)(H,210,211)(H4,134,135,138)(H4,136,137,139)/t66-,67+,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,101-,102-,103-,104-,105-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QMINERUCTZDTOL-PZZYYIRSSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
