| 5SIS_JSM_A_803 |
| RDKit 3D |
|
|
| 57 60 0 0 0 0 0 0 0 0999 V2000 |
| -4.6197 1.2288 -1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3987 2.2924 -1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.2174 2.1255 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4526 -0.5203 -1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3854 2.9201 3.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6870 0.2167 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4859 -1.9095 -1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2913 0.0775 -2.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9221 -1.6474 -0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1548 -0.2119 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9128 -0.1966 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2589 1.0266 2.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.1391 0.0804 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1913 -0.7068 -0.5201 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2350 1.5937 1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3519 1.2813 -1.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7511 -1.2363 0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1225 -0.0034 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8877 -0.0931 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7701 1.6374 3.1623 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5895 0.8472 3.8796 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6808 -0.2623 3.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9581 0.8936 0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2080 0.7030 0.9278 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8161 -0.8695 -0.3946 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2923 2.7571 0.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4623 -2.3786 1.3156 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8703 -0.6432 0.0833 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3380 0.4937 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2035 -2.1554 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5723 -0.4315 -2.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0290 -1.5443 -2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.0410 2.0593 -2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6466 3.1794 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4588 2.8979 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3580 2.8352 4.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4645 3.6790 2.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0538 3.1792 4.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2591 0.5748 -1.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6688 1.0701 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6819 -2.5506 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1528 -1.4440 -2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3746 -2.5231 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9630 0.9429 -3.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.2899 -2.1319 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.1606 -1.0537 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7004 0.5980 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7437 -1.0278 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.2972 -1.0805 3.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2918 -0.1986 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6922 -1.1856 -0.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.8139 0.1254 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5187 1.1527 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0819 1.0837 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5536 -3.0249 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2148 0.0429 -3.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0264 -1.9353 -2.2136 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 |
| $$$$ |
|
|
