| 6YJA_2BA_B_201 |
| RDKit 3D |
|
|
| 68 74 0 0 0 0 0 0 0 0999 V2000 |
| -0.4656 -0.3028 2.0726 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| -0.0145 0.4575 3.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.3953 -1.5618 2.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.6785 -0.9329 1.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0279 -0.8110 1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.6168 0.5299 1.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.9960 0.6164 1.4892 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5165 0.7472 -0.3966 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 1.5674 1.7761 -0.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.9234 1.1325 -0.8446 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| 3.9615 2.2742 -1.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6594 1.3826 0.4728 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| 6.0560 1.0012 0.4462 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.1159 1.8474 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.2701 1.2232 0.5299 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.9363 -0.0905 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.7139 -1.2382 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.1018 -1.2301 0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 8.0849 -2.4002 -0.2378 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.7356 -2.4070 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.8860 -1.3784 -0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.5619 -0.2472 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8165 1.7166 -2.0663 P 0 0 2 0 0 0 0 0 0 0 0 0 |
| 1.7309 1.7466 -3.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1732 2.9671 -1.9753 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.1116 0.4187 -1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.4636 0.4610 -2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.3637 0.7851 -1.1465 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.7427 0.6415 -1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1292 -0.1239 0.0643 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -1.3520 0.5570 1.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5361 -0.4144 0.5997 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| -3.6481 -0.1439 2.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4538 0.4429 -0.2801 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| -5.7300 -0.1736 -0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.9972 -1.1171 -1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.2648 -1.4769 -1.5165 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8418 -0.7217 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.1573 -0.6310 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.2097 -1.3829 -0.5352 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.4190 0.2496 0.9659 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.3967 0.9798 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.1006 0.9750 1.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.9004 0.0992 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1950 -1.2887 2.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.5961 -1.6362 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1119 -0.9384 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.0843 1.3339 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.2075 -0.1724 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3637 0.2964 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.4893 2.0423 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6071 2.4426 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.9914 2.9031 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5043 -0.3058 -0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 10.5059 -1.9888 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.2764 -3.3668 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.2819 3.7856 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6145 1.1791 -3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.7258 -0.5186 -2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.2039 1.8293 -0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.6387 -1.0571 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.7539 -1.4803 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.4903 0.8127 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.6413 1.4260 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.2395 -1.5021 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -10.0369 -1.7552 -1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -11.1095 -0.9586 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.6543 1.6604 2.2707 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 1 |
| 8 49 1 6 |
| 10 50 1 6 |
| 11 51 1 0 |
| 12 52 1 1 |
| 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 |
| $$$$ |
|
|
