| 5SIS_JSM_A_803 |
| RDKit 3D |
|
|
| 57 60 0 0 0 0 0 0 0 0999 V2000 |
| -4.2268 -0.9638 -2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7916 -1.3713 -1.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7549 -1.1018 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5566 -0.0481 -1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9765 1.1923 5.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6700 0.7408 -1.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8260 2.3288 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3478 0.7531 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1630 -0.6539 -2.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8483 -0.2456 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9384 0.6053 2.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6771 0.7250 2.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2764 -0.0202 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5366 0.3570 -0.2638 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3285 0.6800 2.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0372 -0.8324 -1.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2435 0.3543 0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1436 -0.2240 -1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1741 0.2627 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9376 0.9712 4.1008 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2481 0.9559 4.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8481 0.7124 3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9504 -0.2502 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1838 -0.0422 1.0496 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1775 1.1682 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6023 1.2344 2.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6679 -0.5635 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4510 -0.6360 -2.3327 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6044 -1.5436 -3.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5234 -0.4622 -3.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7068 0.9450 -1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2940 0.3368 -2.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3043 -1.5552 -2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7092 -1.9920 -2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2292 -1.5094 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5054 2.1649 5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2415 0.3842 5.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.4936 1.1890 6.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9644 1.6296 -1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8455 0.2730 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9977 3.0873 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2045 2.7792 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7841 2.0175 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9036 1.2355 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5926 -1.2835 -3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6381 0.2264 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5475 -1.1363 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3834 0.8994 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9274 0.6273 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0235 -0.5066 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6597 0.1896 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3659 -2.4435 -2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6745 -1.0646 -3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1380 -1.8640 -3.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.9803 -0.9383 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3017 1.5693 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.3508 0.4852 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2 3 2 0 |
| 4 8 2 0 |
| 4 9 1 0 |
| 6 10 1 0 |
| 11 12 2 0 |
| 13 14 2 0 |
| 12 15 1 0 |
| 13 16 1 0 |
| 1 16 1 0 |
| 2 16 1 0 |
| 11 17 1 0 |
| 14 18 1 0 |
| 1 18 2 0 |
| 4 18 1 0 |
| 13 19 1 0 |
| 12 20 1 0 |
| 5 20 1 0 |
| 20 21 1 0 |
| 11 22 1 0 |
| 21 22 2 0 |
| 19 23 2 0 |
| 3 23 1 0 |
| 15 24 1 0 |
| 23 24 1 0 |
| 17 25 1 0 |
| 7 25 1 0 |
| 6 25 1 0 |
| 15 26 2 0 |
| 17 27 2 0 |
| 10 28 1 0 |
| 28 29 1 0 |
| 9 30 2 0 |
| 8 31 1 0 |
| 30 32 1 0 |
| 31 32 2 0 |
| 1 33 1 0 |
| 2 34 1 0 |
| 3 35 1 0 |
| 5 36 1 0 |
| 5 37 1 0 |
| 5 38 1 0 |
| 6 39 1 0 |
| 6 40 1 0 |
| 7 41 1 0 |
| 7 42 1 0 |
| 7 43 1 0 |
| 8 44 1 0 |
| 9 45 1 0 |
| 10 46 1 0 |
| 10 47 1 0 |
| 19 48 1 0 |
| 22 49 1 0 |
| 24 50 1 0 |
| 28 51 1 0 |
| 29 52 1 0 |
| 29 53 1 0 |
| 29 54 1 0 |
| 30 55 1 0 |
| 31 56 1 0 |
| 32 57 1 0 |
| M END |
| $$$$ |
|
|
