| 6YJA_2BA_B_201 |
| RDKit 3D |
|
|
| 68 74 0 0 0 0 0 0 0 0999 V2000 |
| -0.5668 0.4750 2.1676 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.7431 0.7605 3.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9814 -1.0016 1.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.9589 0.5143 1.6282 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7168 1.7036 1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6869 1.9688 0.5806 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.0405 1.8691 1.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6868 1.0615 -0.6756 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.7313 1.2929 -1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.0675 1.3687 -1.2334 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 4.0335 2.6510 -1.8923 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.9337 1.4667 0.0242 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.6481 0.2859 0.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1344 0.1230 1.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9057 -0.9374 1.8633 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9124 -1.4960 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5811 -2.6141 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.4383 -3.4129 0.8277 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.4323 -2.8953 -1.2369 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6174 -2.1092 -1.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9217 -1.0232 -1.5748 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.1258 -0.7602 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2220 1.4722 -1.2410 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 0.0706 2.6480 -0.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.0428 -0.0221 -0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.8097 1.4591 -2.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1854 1.2043 -2.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7757 1.8533 -0.8261 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -4.2028 1.9341 -1.0269 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.5877 1.0629 0.4993 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.4083 1.4295 1.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8169 1.4540 1.3086 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.5654 2.6458 2.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.8655 1.7659 0.2412 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.9044 0.7714 0.0828 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2452 1.0077 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9713 -0.0571 -0.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.0570 -1.0281 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2083 -2.3669 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4431 -2.9916 -0.8703 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.1020 -3.0759 -1.0708 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.9023 -2.4728 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6287 -1.2059 -0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.7621 -0.5358 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.6087 -1.1513 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2739 1.6247 2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.0433 2.5570 1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5607 3.0192 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6464 0.0059 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3838 0.6638 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3330 2.5995 -2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.6911 2.2530 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.9053 0.8199 2.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7534 -2.9724 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.1372 -3.8651 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5214 -2.3764 -3.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1730 -0.6473 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7815 1.5136 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3087 0.1160 -2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4017 2.8763 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.6008 -0.0064 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.1225 0.6798 2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7305 2.5029 2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3655 2.7172 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.6355 1.9727 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4137 -3.7868 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2151 -2.3404 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.0445 -3.0926 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 2 0 |
| 1 3 1 1 |
| 1 4 1 0 |
| 4 5 1 0 |
| 6 5 1 0 |
| 6 7 1 0 |
| 6 8 1 0 |
| 8 9 1 0 |
| 8 10 1 0 |
| 10 11 1 0 |
| 7 12 1 0 |
| 10 12 1 0 |
| 12 13 1 0 |
| 13 14 1 0 |
| 14 15 2 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 17 19 2 0 |
| 19 20 1 0 |
| 20 21 2 0 |
| 13 22 1 0 |
| 16 22 2 0 |
| 21 22 1 0 |
| 9 23 1 0 |
| 23 24 2 0 |
| 23 25 1 1 |
| 23 26 1 0 |
| 26 27 1 0 |
| 28 27 1 0 |
| 28 29 1 0 |
| 28 30 1 0 |
| 1 31 1 0 |
| 30 31 1 0 |
| 30 32 1 0 |
| 32 33 1 0 |
| 29 34 1 0 |
| 32 34 1 0 |
| 34 35 1 0 |
| 35 36 1 0 |
| 36 37 2 0 |
| 37 38 1 0 |
| 38 39 1 0 |
| 39 40 1 0 |
| 39 41 2 0 |
| 41 42 1 0 |
| 42 43 2 0 |
| 35 44 1 0 |
| 38 44 2 0 |
| 43 44 1 0 |
| 3 45 1 0 |
| 5 46 1 0 |
| 5 47 1 0 |
| 6 48 1 6 |
| 8 49 1 1 |
| 10 50 1 6 |
| 11 51 1 0 |
| 12 52 1 6 |
| 14 53 1 0 |
| 18 54 1 0 |
| 18 55 1 0 |
| 20 56 1 0 |
| 25 57 1 0 |
| 27 58 1 0 |
| 27 59 1 0 |
| 28 60 1 1 |
| 30 61 1 6 |
| 32 62 1 1 |
| 33 63 1 0 |
| 34 64 1 1 |
| 36 65 1 0 |
| 40 66 1 0 |
| 40 67 1 0 |
| 42 68 1 0 |
| M END |
| $$$$ |
|
|
