| 6d07_ligand |
| -I-interpret- |
|
|
| 153152 0 0 0 0 0 0 0 0999 V2000 |
| 23.3510 19.8250 13.4950 N 0 3 0 0 0 |
| 22.0230 20.0140 14.0690 C 0 0 0 0 0 |
| 21.3920 18.6860 14.4750 C 0 0 0 0 0 |
| 21.6360 17.6550 13.8550 O 0 0 0 0 0 |
| 21.1140 20.7500 13.0820 C 0 0 0 0 0 |
| 21.5010 20.5650 11.6250 C 0 0 0 0 0 |
| 20.5900 21.3690 10.7080 C 0 0 0 0 0 |
| 21.1220 21.4020 9.2840 C 0 0 0 0 0 |
| 22.4470 22.0840 9.2060 N 0 3 0 0 0 |
| 20.5830 18.7250 15.5300 N 0 0 0 0 0 |
| 19.8960 17.5430 16.0360 C 0 0 0 0 0 |
| 18.5590 17.4160 15.3150 C 0 0 0 0 0 |
| 17.6360 18.2010 15.5590 O 0 0 0 0 0 |
| 19.7020 17.6450 17.5470 C 0 0 0 0 0 |
| 20.9640 18.0300 18.3090 C 0 0 0 0 0 |
| 22.0640 16.9910 18.1880 C 0 0 0 0 0 |
| 21.9950 15.9260 18.7990 O 0 0 0 0 0 |
| 23.0870 17.2970 17.3960 N 0 0 0 0 0 |
| 18.4550 16.4370 14.4240 N 0 0 0 0 0 |
| 17.2480 16.2110 13.6450 C 0 0 0 0 0 |
| 16.7640 14.7800 13.8330 C 0 0 0 0 0 |
| 17.4310 13.9430 14.4460 O 0 0 0 0 0 |
| 17.4860 16.4790 12.1530 C 0 0 0 0 0 |
| 18.4000 15.5030 11.6380 O 0 0 0 0 0 |
| 18.0570 17.8780 11.9350 C 0 0 0 0 0 |
| 15.5840 14.5100 13.2820 N 0 0 0 0 0 |
| 15.0460 13.1600 13.2150 C 0 0 0 0 0 |
| 13.9940 13.1190 12.1190 C 0 0 0 0 0 |
| 13.4090 14.1430 11.7550 O 0 0 0 0 0 |
| 14.4500 12.7120 14.5550 C 0 0 0 0 0 |
| 13.7700 11.9240 11.5900 N 0 0 0 0 0 |
| 12.6960 11.7210 10.6300 C 0 0 0 0 0 |
| 11.4230 11.3390 11.3730 C 0 0 0 0 0 |
| 11.4300 10.4400 12.2150 O 0 0 0 0 0 |
| 13.0710 10.6510 9.6020 C 0 0 0 0 0 |
| 14.1160 11.1160 8.5990 C 0 0 0 0 0 |
| 14.4880 10.0160 7.6220 C 0 0 0 0 0 |
| 15.0650 8.8570 8.2950 N 0 0 0 0 0 |
| 16.3500 8.7450 8.6160 C 0 0 0 0 0 |
| 17.1920 9.7280 8.3300 N 0 0 0 0 0 |
| 16.7920 7.6510 9.2230 N 0 0 0 0 0 |
| 10.3400 12.0460 11.0770 N 0 0 0 0 0 |
| 9.0640 11.7680 11.6860 C 0 0 0 0 0 |
| 8.2220 13.0400 11.8710 C 0 0 0 0 0 |
| 7.0730 12.8110 12.8260 C 0 0 0 0 0 |
| 6.0450 13.9220 12.6910 C 0 0 0 0 0 |
| 6.6950 15.2290 13.1250 C 0 0 0 0 0 |
| 5.8050 16.4460 13.2820 N 0 3 0 0 0 |
| 8.2600 10.7730 10.8620 C 0 0 0 0 0 |
| 8.0060 10.9390 9.6670 O 0 0 0 0 0 |
| 4.7520 16.2310 14.3180 C 0 0 0 0 0 |
| 5.1610 16.8330 11.9920 C 0 0 0 0 0 |
| 6.6870 17.5720 13.7250 C 0 0 0 0 0 |
| 7.8580 9.6940 11.5290 N 0 0 0 0 0 |
| 7.1140 8.6210 10.8770 C 0 0 0 0 0 |
| 5.7890 9.1390 10.3300 C 0 0 0 0 0 |
| 5.0070 9.7560 11.0520 O 0 0 0 0 0 |
| 6.8760 7.4630 11.8490 C 0 0 0 0 0 |
| 8.1020 6.8650 12.2350 O 0 0 0 0 0 |
| 5.5510 8.8840 9.0460 N 0 0 0 0 0 |
| 4.3920 9.4170 8.3450 C 0 0 0 0 0 |
| 3.2420 8.4180 8.3660 C 0 0 0 0 0 |
| 3.4330 7.2250 8.1150 O 0 0 0 0 0 |
| 4.7560 9.7630 6.8990 C 0 0 0 0 0 |
| 5.9240 10.5970 6.8840 O 0 0 0 0 0 |
| 3.6020 10.4940 6.2130 C 0 0 0 0 0 |
| 2.0460 8.9150 8.6650 N 0 0 0 0 0 |
| 0.8610 8.0790 8.7190 C 0 0 0 0 0 |
| 0.6360 7.4520 10.0810 C 0 0 0 0 0 |
| 1.4300 7.6460 11.0010 O 0 0 0 0 0 |
| -0.3450 6.7380 10.2900 O 0 0 0 0 0 |
| 23.9429 19.3338 14.1649 H 0 0 0 0 0 |
| 23.2751 19.2751 12.6393 H 0 0 0 0 0 |
| 23.7601 20.7345 13.2809 H 0 0 0 0 0 |
| 22.1365 20.6189 14.9686 H 0 0 0 0 0 |
| 21.1926 21.8143 13.3036 H 0 0 0 0 0 |
| 20.1103 20.3426 13.2030 H 0 0 0 0 0 |
| 21.4067 19.5092 11.3710 H 0 0 0 0 0 |
| 22.5253 20.9123 11.4900 H 0 0 0 0 0 |
| 20.5394 22.3917 11.0816 H 0 0 0 0 0 |
| 19.6069 20.8983 10.6986 H 0 0 0 0 0 |
| 20.4144 21.9542 8.6656 H 0 0 0 0 0 |
| 21.2432 20.3753 8.9386 H 0 0 0 0 0 |
| 22.7704 22.0864 8.2386 H 0 0 0 0 0 |
| 22.3538 23.0443 9.5370 H 0 0 0 0 0 |
| 23.1193 21.5858 9.7892 H 0 0 0 0 0 |
| 20.4376 19.6167 16.0035 H 0 0 0 0 0 |
| 20.4940 16.6517 15.8458 H 0 0 0 0 0 |
| 19.3981 16.6600 17.9013 H 0 0 0 0 0 |
| 18.9646 18.4274 17.7263 H 0 0 0 0 0 |
| 20.7032 18.1189 19.3636 H 0 0 0 0 0 |
| 21.3377 18.9627 17.8864 H 0 0 0 0 0 |
| 23.8550 16.6365 17.2767 H 0 0 0 0 0 |
| 23.1039 18.1923 16.9076 H 0 0 0 0 0 |
| 19.2535 15.8189 14.2802 H 0 0 0 0 0 |
| 16.4879 16.9060 14.0018 H 0 0 0 0 0 |
| 16.5322 16.4116 11.6297 H 0 0 0 0 0 |
| 18.5506 15.6685 10.7044 H 0 0 0 0 0 |
| 17.3550 18.6192 12.3171 H 0 0 0 0 0 |
| 19.0060 17.9681 12.4635 H 0 0 0 0 0 |
| 18.2162 18.0420 10.8692 H 0 0 0 0 0 |
| 15.0364 15.2772 12.8923 H 0 0 0 0 0 |
| 15.8559 12.4665 12.9887 H 0 0 0 0 0 |
| 15.2252 12.7325 15.3210 H 0 0 0 0 0 |
| 13.6420 13.3875 14.8358 H 0 0 0 0 0 |
| 14.0607 11.6986 14.4573 H 0 0 0 0 0 |
| 14.3589 11.1361 11.8599 H 0 0 0 0 0 |
| 12.5273 12.6495 10.0845 H 0 0 0 0 0 |
| 12.1686 10.4011 9.0440 H 0 0 0 0 0 |
| 13.4917 9.8056 10.1465 H 0 0 0 0 0 |
| 15.0126 11.4049 9.1474 H 0 0 0 0 0 |
| 13.7009 11.9504 8.0337 H 0 0 0 0 0 |
| 15.2311 10.4125 6.9301 H 0 0 0 0 0 |
| 13.5811 9.6952 7.1094 H 0 0 0 0 0 |
| 14.4434 8.0844 8.5341 H 0 0 0 0 0 |
| 16.8537 10.5698 7.8638 H 0 0 0 0 0 |
| 17.7784 7.5674 9.4688 H 0 0 0 0 0 |
| 16.1454 6.8937 9.4438 H 0 0 0 0 0 |
| 10.4125 12.8061 10.4007 H 0 0 0 0 0 |
| 9.2853 11.3425 12.6648 H 0 0 0 0 0 |
| 7.8132 13.3270 10.9022 H 0 0 0 0 0 |
| 8.8621 13.8205 12.2824 H 0 0 0 0 0 |
| 7.4552 12.8022 13.8467 H 0 0 0 0 0 |
| 6.5995 11.8578 12.5908 H 0 0 0 0 0 |
| 5.1790 13.7086 13.3176 H 0 0 0 0 0 |
| 5.7084 13.9968 11.6570 H 0 0 0 0 0 |
| 7.3954 15.4827 12.3293 H 0 0 0 0 0 |
| 7.0998 15.0357 14.1184 H 0 0 0 0 0 |
| 4.1285 15.3845 14.0303 H 0 0 0 0 0 |
| 5.2253 16.0256 15.2781 H 0 0 0 0 0 |
| 4.1360 17.1265 14.3994 H 0 0 0 0 0 |
| 5.9323 17.0651 11.2576 H 0 0 0 0 0 |
| 4.5499 16.0062 11.6300 H 0 0 0 0 0 |
| 4.5322 17.7093 12.1498 H 0 0 0 0 0 |
| 7.1583 17.3115 14.6727 H 0 0 0 0 0 |
| 7.4552 17.7480 12.9720 H 0 0 0 0 0 |
| 6.0873 18.4734 13.8517 H 0 0 0 0 0 |
| 8.0756 9.6147 12.5224 H 0 0 0 0 0 |
| 7.7093 8.2529 10.0414 H 0 0 0 0 0 |
| 6.2604 6.7116 11.3544 H 0 0 0 0 0 |
| 6.3794 7.8494 12.7391 H 0 0 0 0 0 |
| 7.9271 6.1431 12.8432 H 0 0 0 0 0 |
| 6.2054 8.2927 8.5336 H 0 0 0 0 0 |
| 4.0736 10.3248 8.8575 H 0 0 0 0 0 |
| 4.9549 8.8370 6.3595 H 0 0 0 0 0 |
| 6.1502 10.8126 5.9763 H 0 0 0 0 0 |
| 2.7186 9.8555 6.2120 H 0 0 0 0 0 |
| 3.3852 11.4156 6.7531 H 0 0 0 0 0 |
| 3.8823 10.7303 5.1865 H 0 0 0 0 0 |
| 1.9587 9.9120 8.8620 H 0 0 0 0 0 |
| 0.9935 7.2703 8.0003 H 0 0 0 0 0 |
| 0.0002 8.7105 8.4991 H 0 0 0 0 0 |
| -0.8712 6.6767 9.4894 H 0 0 0 0 0 |
| 1 2 1 0 0 0 |
| 2 3 1 0 0 0 |
| 2 5 1 0 0 0 |
| 3 4 2 0 0 0 |
| 3 10 1 0 0 0 |
| 5 6 1 0 0 0 |
| 6 7 1 0 0 0 |
| 7 8 1 0 0 0 |
| 8 9 1 0 0 0 |
| 10 11 1 0 0 0 |
| 11 12 1 0 0 0 |
| 11 14 1 0 0 0 |
| 12 13 2 0 0 0 |
| 12 19 1 0 0 0 |
| 14 15 1 0 0 0 |
| 15 16 1 0 0 0 |
| 16 17 2 0 0 0 |
| 16 18 1 0 0 0 |
| 19 20 1 0 0 0 |
| 20 21 1 0 0 0 |
| 20 23 1 0 0 0 |
| 21 22 2 0 0 0 |
| 21 26 1 0 0 0 |
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| 23 25 1 0 0 0 |
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| 28 29 2 0 0 0 |
| 28 31 1 0 0 0 |
| 31 32 1 0 0 0 |
| 32 33 1 0 0 0 |
| 32 35 1 0 0 0 |
| 33 34 2 0 0 0 |
| 33 42 1 0 0 0 |
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| 39 41 1 0 0 0 |
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| 44 45 1 0 0 0 |
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| 54 55 1 0 0 0 |
| 55 56 1 0 0 0 |
| 55 58 1 0 0 0 |
| 56 57 2 0 0 0 |
| 56 60 1 0 0 0 |
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| 62 67 1 0 0 0 |
| 64 65 1 0 0 0 |
| 64 66 1 0 0 0 |
| 67 68 1 0 0 0 |
| 68 69 1 0 0 0 |
| 69 70 2 0 0 0 |
| 69 71 1 0 0 0 |
| 1 72 1 0 0 0 |
| 1 73 1 0 0 0 |
| 1 74 1 0 0 0 |
| 2 75 1 0 0 0 |
| 5 76 1 0 0 0 |
| 5 77 1 0 0 0 |
| 6 78 1 0 0 0 |
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| 7 80 1 0 0 0 |
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| 8 82 1 0 0 0 |
| 8 83 1 0 0 0 |
| 9 84 1 0 0 0 |
| 9 85 1 0 0 0 |
| 9 86 1 0 0 0 |
| 10 87 1 0 0 0 |
| 11 88 1 0 0 0 |
| 14 89 1 0 0 0 |
| 14 90 1 0 0 0 |
| 15 91 1 0 0 0 |
| 15 92 1 0 0 0 |
| 18 93 1 0 0 0 |
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| 19 95 1 0 0 0 |
| 20 96 1 0 0 0 |
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| 24 98 1 0 0 0 |
| 25 99 1 0 0 0 |
| 25100 1 0 0 0 |
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| 26102 1 0 0 0 |
| 27103 1 0 0 0 |
| 30104 1 0 0 0 |
| 30105 1 0 0 0 |
| 30106 1 0 0 0 |
| 31107 1 0 0 0 |
| 32108 1 0 0 0 |
| 35109 1 0 0 0 |
| 35110 1 0 0 0 |
| 36111 1 0 0 0 |
| 36112 1 0 0 0 |
| 37113 1 0 0 0 |
| 37114 1 0 0 0 |
| 38115 1 0 0 0 |
| 40116 1 0 0 0 |
| 41117 1 0 0 0 |
| 41118 1 0 0 0 |
| 42119 1 0 0 0 |
| 43120 1 0 0 0 |
| 44121 1 0 0 0 |
| 44122 1 0 0 0 |
| 45123 1 0 0 0 |
| 45124 1 0 0 0 |
| 46125 1 0 0 0 |
| 46126 1 0 0 0 |
| 47127 1 0 0 0 |
| 47128 1 0 0 0 |
| 51129 1 0 0 0 |
| 51130 1 0 0 0 |
| 51131 1 0 0 0 |
| 52132 1 0 0 0 |
| 52133 1 0 0 0 |
| 52134 1 0 0 0 |
| 53135 1 0 0 0 |
| 53136 1 0 0 0 |
| 53137 1 0 0 0 |
| 54138 1 0 0 0 |
| 55139 1 0 0 0 |
| 58140 1 0 0 0 |
| 58141 1 0 0 0 |
| 59142 1 0 0 0 |
| 60143 1 0 0 0 |
| 61144 1 0 0 0 |
| 64145 1 0 0 0 |
| 65146 1 0 0 0 |
| 66147 1 0 0 0 |
| 66148 1 0 0 0 |
| 66149 1 0 0 0 |
| 67150 1 0 0 0 |
| 68151 1 0 0 0 |
| 68152 1 0 0 0 |
| 71153 1 0 0 0 |
| M END |
| $$$$ |
|
|
