| 5SIS_JSM_A_803 |
| RDKit 3D |
|
|
| 57 60 0 0 0 0 0 0 0 0999 V2000 |
| -4.5050 -1.4511 -1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1901 -2.0995 -0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.0555 -1.6471 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.5379 0.0423 -1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2842 -0.6511 4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.8469 -0.1073 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8864 1.6471 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.3683 -0.9246 -2.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0458 1.3293 -1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3524 0.2297 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.8891 1.4763 1.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1943 0.4173 2.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2119 0.1071 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3521 0.7119 -0.6321 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2017 -0.4550 1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.2583 -1.2264 -0.7673 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7873 1.9842 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.1712 -0.2441 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.0091 0.5849 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6688 0.3267 3.4767 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5049 1.3210 3.8244 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6506 2.0111 2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9679 -0.2524 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1508 0.2383 1.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.0025 1.0918 -0.7956 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.3218 -1.6730 1.6549 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4965 3.1742 0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1896 -0.9204 -0.2205 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9799 -1.3759 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3498 1.6453 -1.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6757 -0.6126 -2.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1679 0.6664 -2.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8008 -2.4227 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3190 -3.1196 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.2090 -2.3118 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3232 -1.6700 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2648 -0.4062 4.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.9825 -0.5838 5.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.6511 -0.7694 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5136 -0.6536 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7965 2.2176 -2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0130 2.3161 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.7768 0.8494 -2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0161 -1.9360 -2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.4188 2.0980 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.5226 1.0476 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6896 0.6235 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9878 1.6229 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3020 2.8704 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1431 1.2341 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1692 -0.6323 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.0545 -0.5423 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7480 -2.1110 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.0035 -1.8719 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.7197 2.6461 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.3137 -1.3779 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.1838 0.9049 -2.6775 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 |
| $$$$ |
|
|
