| 6YJA_2BA_B_201 |
| RDKit 3D |
|
|
| 68 74 0 0 0 0 0 0 0 0999 V2000 |
| -0.7427 0.8526 2.4410 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.5460 2.1464 1.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4744 1.0526 3.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.5754 0.0262 2.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.7984 0.7299 2.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4060 1.1065 1.5804 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.8244 1.3001 1.7158 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2261 0.0418 0.5065 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 0.9251 0.1218 -0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.3774 0.3259 -0.4580 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 2.9634 1.1132 -1.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.4044 1.0798 0.4139 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 5.6607 0.3687 0.5417 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2392 -0.1370 1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3674 -0.7656 1.4048 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.5275 -0.6449 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.5091 -1.1068 -0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.5924 -1.8789 -0.4567 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.3922 -0.7827 -2.1595 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.3215 -0.0566 -2.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.3056 0.4183 -1.8018 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.4876 0.0857 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6135 -0.7812 -1.3483 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.5759 -1.8969 -1.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6079 0.3382 -2.4941 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.9193 -1.1980 -1.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.9815 -0.3504 -1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3471 0.7189 -0.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.4900 1.4759 -0.9685 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.7445 0.1510 0.8639 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.6777 -0.2231 1.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7258 1.1855 1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.1055 2.2438 2.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.3679 1.7480 0.1426 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.7070 1.2347 -0.0946 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8480 1.8399 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.9324 1.1555 0.0878 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4748 0.0602 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.1391 -1.0361 -1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.5188 -1.2091 -1.1446 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.4009 -1.9971 -1.7936 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0595 -1.8449 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.3176 -0.8487 -1.3083 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.0905 0.0800 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2508 1.6393 3.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.4956 0.0855 3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.6601 1.6251 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.9707 2.0566 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.3659 -0.9495 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7711 -0.6122 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.7860 1.3008 -2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6460 2.0637 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8047 -0.0251 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.7926 -1.8410 0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.3607 -1.8392 -1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.2789 0.1765 -3.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.5005 0.7503 -2.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7943 0.1049 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.8421 -1.0074 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.5078 1.4162 -0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.3182 -0.7676 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4483 0.7209 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.4196 2.6800 1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4652 2.8370 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.8288 2.7714 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.9536 -0.6913 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.7595 -2.1879 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.5110 -2.6289 -2.3520 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 6 |
| 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 |
| $$$$ |
|
|
