| 6a87_ligand |
| -I-interpret- |
|
|
| 53 54 0 0 0 0 0 0 0 0999 V2000 |
| -22.1210 41.2710 7.5820 C 0 0 0 0 0 |
| -22.4910 42.4900 6.7050 C 0 0 0 0 0 |
| -23.3090 41.9650 5.5030 C 0 0 0 0 0 |
| -22.5220 40.9000 4.7470 C 0 0 0 0 0 |
| -22.0720 39.7950 5.7400 C 0 0 0 0 0 |
| -21.1870 38.6960 5.1560 C 0 0 0 0 0 |
| -22.7660 44.7880 7.6420 C 0 0 0 0 0 |
| -23.7350 45.6960 8.3880 C 0 0 0 0 0 |
| -23.2290 43.5380 7.4120 N 0 0 0 0 0 |
| -23.7920 42.9410 4.5630 O 0 0 0 0 0 |
| -23.3890 40.4010 3.6910 O 0 0 0 0 0 |
| -21.3500 40.3110 6.8590 O 0 0 0 0 0 |
| -19.8860 39.2130 4.8770 O 0 0 0 0 0 |
| -21.6430 45.1800 7.2770 O 0 0 0 0 0 |
| -19.7090 39.3500 3.4500 C 0 0 0 0 0 |
| -18.4410 40.1680 3.2660 C 0 0 0 0 0 |
| -17.2070 39.3500 3.6560 C 0 0 0 0 0 |
| -17.2030 38.0490 2.8670 C 0 0 0 0 0 |
| -18.5050 37.3170 3.1710 C 0 0 0 0 0 |
| -18.4970 35.9820 2.4700 C 0 0 0 0 0 |
| -18.5250 41.3220 4.1080 O 0 0 0 0 0 |
| -16.0050 40.0640 3.3740 O 0 0 0 0 0 |
| -17.0620 38.3240 1.4620 O 0 0 0 0 0 |
| -19.6400 38.0930 2.7540 O 0 0 0 0 0 |
| -21.0640 39.7770 9.7170 C 0 0 0 0 0 |
| -21.3990 41.4890 9.2400 S 0 0 0 0 0 |
| -23.1292 40.9304 7.8179 H 0 0 0 0 0 |
| -21.5654 42.9701 6.3874 H 0 0 0 0 0 |
| -24.2058 41.5610 5.9727 H 0 0 0 0 0 |
| -21.6124 41.2943 4.2940 H 0 0 0 0 0 |
| -23.0326 39.3680 6.0282 H 0 0 0 0 0 |
| -21.6332 38.3300 4.2313 H 0 0 0 0 0 |
| -21.1026 37.8828 5.8769 H 0 0 0 0 0 |
| -23.2769 46.0262 9.3203 H 0 0 0 0 0 |
| -23.9683 46.5626 7.7694 H 0 0 0 0 0 |
| -24.6508 45.1467 8.6062 H 0 0 0 0 0 |
| -24.1612 43.3087 7.7567 H 0 0 0 0 0 |
| -24.2891 43.6158 5.0311 H 0 0 0 0 0 |
| -23.6339 41.1254 3.1105 H 0 0 0 0 0 |
| -20.5774 39.8422 3.0121 H 0 0 0 0 0 |
| -18.3467 40.4568 2.2192 H 0 0 0 0 0 |
| -17.2505 39.1516 4.7269 H 0 0 0 0 0 |
| -16.3602 37.4203 3.1543 H 0 0 0 0 0 |
| -18.5834 37.1648 4.2475 H 0 0 0 0 0 |
| -18.4062 36.1380 1.3951 H 0 0 0 0 0 |
| -17.6525 35.3915 2.8254 H 0 0 0 0 0 |
| -19.4266 35.4548 2.6846 H 0 0 0 0 0 |
| -17.7307 41.8510 4.0041 H 0 0 0 0 0 |
| -15.2493 39.5290 3.6277 H 0 0 0 0 0 |
| -17.0606 37.4974 0.9738 H 0 0 0 0 0 |
| -21.9972 39.2138 9.7238 H 0 0 0 0 0 |
| -20.3737 39.3302 9.0015 H 0 0 0 0 0 |
| -20.6199 39.7587 10.7123 H 0 0 0 0 0 |
| 2 1 1 0 0 0 |
| 1 12 1 0 0 0 |
| 1 26 1 0 0 0 |
| 2 3 1 0 0 0 |
| 9 2 1 0 0 0 |
| 3 4 1 0 0 0 |
| 3 10 1 0 0 0 |
| 4 5 1 0 0 0 |
| 4 11 1 0 0 0 |
| 5 6 1 0 0 0 |
| 12 5 1 0 0 0 |
| 6 13 1 0 0 0 |
| 7 8 1 0 0 0 |
| 7 9 1 0 0 0 |
| 7 14 2 0 0 0 |
| 13 15 1 0 0 0 |
| 15 16 1 0 0 0 |
| 15 24 1 0 0 0 |
| 16 17 1 0 0 0 |
| 16 21 1 0 0 0 |
| 17 18 1 0 0 0 |
| 17 22 1 0 0 0 |
| 18 19 1 0 0 0 |
| 18 23 1 0 0 0 |
| 19 20 1 0 0 0 |
| 19 24 1 0 0 0 |
| 26 25 1 0 0 0 |
| 1 27 1 0 0 0 |
| 2 28 1 0 0 0 |
| 3 29 1 0 0 0 |
| 4 30 1 0 0 0 |
| 5 31 1 0 0 0 |
| 6 32 1 0 0 0 |
| 6 33 1 0 0 0 |
| 8 34 1 0 0 0 |
| 8 35 1 0 0 0 |
| 8 36 1 0 0 0 |
| 9 37 1 0 0 0 |
| 10 38 1 0 0 0 |
| 11 39 1 0 0 0 |
| 15 40 1 0 0 0 |
| 16 41 1 0 0 0 |
| 17 42 1 0 0 0 |
| 18 43 1 0 0 0 |
| 19 44 1 0 0 0 |
| 20 45 1 0 0 0 |
| 20 46 1 0 0 0 |
| 20 47 1 0 0 0 |
| 21 48 1 0 0 0 |
| 22 49 1 0 0 0 |
| 23 50 1 0 0 0 |
| 25 51 1 0 0 0 |
| 25 52 1 0 0 0 |
| 25 53 1 0 0 0 |
| M END |
| $$$$ |
|
|
