| 5SIS_JSM_A_803 |
| RDKit 3D |
|
|
| 57 60 0 0 0 0 0 0 0 0999 V2000 |
| -4.2778 0.3117 -2.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8327 0.7985 -2.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.7915 0.9028 -1.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6162 -0.2808 -1.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9816 1.4723 5.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.5955 -0.9159 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.7551 -1.5260 1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2308 -0.2011 -2.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4042 -0.6341 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7952 -0.0086 -1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9126 0.6835 2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6572 0.8499 2.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3226 0.2448 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.5881 -0.0482 -0.1435 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.3019 0.6771 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.0831 0.4731 -1.7038 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2034 0.3056 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1978 -0.0095 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2153 0.3570 0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9316 1.1984 4.0177 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.2465 1.3238 4.2865 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8344 1.0330 3.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9870 0.6755 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1526 0.8083 0.8364 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1211 -0.7177 0.5155 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6301 0.4538 2.9714 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6296 0.8939 -0.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2985 -0.1604 -2.5618 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.0291 -1.4066 -2.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7680 -0.9019 -0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.5961 -0.4688 -2.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3634 -0.8190 -1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3556 0.4361 -3.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7496 0.9541 -3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1969 1.1520 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2589 2.2093 4.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5115 1.8788 5.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.4938 0.5346 5.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8461 -1.9746 -0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7768 -0.7011 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.7304 -1.0923 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.1427 -1.5783 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.8909 -2.5474 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.6632 0.0708 -3.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9535 -0.7028 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.4793 1.0348 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6060 -0.1621 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4248 0.1732 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9143 1.0822 3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9939 1.0577 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9254 0.6187 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3800 -2.2795 -2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.8719 -1.4908 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4305 -1.4352 -3.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3604 -1.1738 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.0594 -0.4026 -3.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.4240 -1.0265 -1.9823 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 |
| $$$$ |
|
|
