| 5SIS_JSM_A_803 |
| RDKit 3D |
|
|
| 57 60 0 0 0 0 0 0 0 0999 V2000 |
| -5.1077 1.0325 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4852 2.0001 1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2349 1.9008 1.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9961 -0.5014 -2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1849 1.8880 5.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6904 -0.3468 -1.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8612 1.2310 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.6952 -1.5803 -3.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2768 0.0657 -2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4981 -1.6587 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9765 0.4252 2.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0272 1.0287 2.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0835 0.1364 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7130 -0.5557 -1.1785 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6402 1.4228 2.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8984 1.1232 0.2778 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7956 -0.0328 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9782 -0.0092 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7607 0.0357 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7019 1.2675 4.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9732 0.8210 4.0865 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1266 0.2901 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3295 0.8736 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0349 0.7290 1.6998 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7385 0.3299 -0.2555 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1293 2.3020 3.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.8140 -0.7227 0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4770 -2.3784 -2.8329 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2888 -1.7317 -3.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.2289 -0.4342 -3.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6459 -2.0802 -3.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9131 -1.5063 -3.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9218 1.6998 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1961 2.7390 1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9151 2.5896 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0247 2.9494 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2545 1.3893 5.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9129 1.7743 6.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6467 -0.5668 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0595 0.3509 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0607 1.8049 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7428 0.6373 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6477 1.9421 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.7090 -2.0403 -2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.5568 0.9021 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5327 -1.4730 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0694 -2.3225 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.1254 -0.7365 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0738 -0.1718 2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4880 -0.0246 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8322 -3.3235 -2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3292 -1.6204 -3.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8897 -0.7512 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.2838 -2.3456 -4.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2177 0.0150 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3926 -2.9168 -4.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6532 -1.8944 -4.6725 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 |
| $$$$ |
|
|
