C8D Converted by convert_cif2sdf.py 2024/03/29 11:09:15 82 85 0 0 0 0 0 0 0 0999 V2000 4.6112 -0.4239 0.4618 O 0 0 0 0 0 4.5799 0.7128 0.0333 C 0 0 0 0 0 5.7212 1.3246 -0.3349 O 0 0 0 0 0 6.9514 0.5671 -0.1932 C 0 0 0 0 0 8.1391 1.5121 0.0852 C 0 0 0 0 0 9.3448 0.9385 -0.6792 C 0 0 0 0 0 8.8493 -0.3352 -1.3941 C 0 0 0 0 0 7.3205 -0.1241 -1.5289 C 0 0 0 0 0 3.4028 1.3581 -0.0794 N 0 0 0 0 0 2.1601 0.6898 0.3153 C 0 0 0 0 0 1.9445 0.8621 1.8210 C 0 0 0 0 0 1.9594 2.3506 2.1710 C 0 0 0 0 0 0.5942 0.2590 2.2147 C 0 0 0 0 0 3.0631 0.1472 2.5811 C 0 0 0 0 0 1.0024 1.2996 -0.4312 C 0 0 0 0 0 1.0158 2.4794 -0.7126 O 0 0 0 0 0 -0.0484 0.5348 -0.7859 N 0 0 0 0 0 -1.2774 1.0142 -1.4353 C 0 0 0 0 0 -1.9537 2.0374 -0.5594 C 0 0 0 0 0 -3.1044 2.6134 -0.9605 N 0 0 0 0 0 -3.7617 3.6085 -0.1093 C 0 0 0 0 0 -4.2009 4.7999 -0.9624 C 0 0 0 0 0 -4.8872 5.8391 -0.0726 C 0 0 0 0 0 -5.2973 6.9514 -0.8699 O 0 0 0 0 0 -5.0183 2.9626 0.5752 B 0 0 0 0 0 -6.0725 2.4435 -0.2225 O 0 0 0 0 0 -5.0930 2.9052 1.8416 O 0 5 0 0 0 -1.4627 2.3422 0.5073 O 0 0 0 0 0 -0.1544 -0.9239 -0.5945 C 0 0 0 0 0 -1.6760 -1.2107 -0.5643 C 0 0 0 0 0 -2.2022 -0.2066 -1.6255 C 0 0 0 0 0 -1.9513 -2.5578 -0.9550 O 0 0 0 0 0 -2.0093 -3.4845 0.0318 C 0 0 0 0 0 -1.8173 -3.1289 1.2861 N 0 0 0 0 0 -1.8646 -3.9933 2.2910 C 0 0 0 0 0 -2.1157 -5.3158 2.0919 C 0 0 0 0 0 -2.3313 -5.7753 0.7790 C 0 0 0 0 0 -2.2831 -4.8326 -0.2789 C 0 0 0 0 0 -2.5959 -7.1230 0.4943 C 0 0 0 0 0 -2.7969 -7.5072 -0.7977 C 0 0 0 0 0 -2.7434 -6.5822 -1.8384 C 0 0 0 0 0 -2.4999 -5.2642 -1.5951 C 0 0 0 0 0 3.3769 2.2649 -0.4212 H 0 0 0 0 0 6.8555 -0.1692 0.6055 H 0 0 0 0 0 7.9104 2.5150 -0.2762 H 0 0 0 0 0 8.3523 1.5396 1.1533 H 0 0 0 0 0 6.8053 -1.0794 -1.6244 H 0 0 0 0 0 7.0937 0.5250 -2.3751 H 0 0 0 0 0 9.7024 1.6636 -1.4108 H 0 0 0 0 0 10.1443 0.6883 0.0187 H 0 0 0 0 0 9.3103 -0.4243 -2.3777 H 0 0 0 0 0 9.0610 -1.2174 -0.7910 H 0 0 0 0 0 2.2277 -0.3726 0.0776 H 0 0 0 0 0 1.1631 2.8598 1.6289 H 0 0 0 0 0 1.8058 2.4743 3.2428 H 0 0 0 0 0 2.9219 2.7800 1.8903 H 0 0 0 0 0 0.6124 -0.8170 2.0436 H 0 0 0 0 0 0.4019 0.4571 3.2689 H 0 0 0 0 0 -0.1941 0.7095 1.6113 H 0 0 0 0 0 4.0246 0.5766 2.3015 H 0 0 0 0 0 2.9095 0.2698 3.6539 H 0 0 0 0 0 3.0516 -0.9140 2.3320 H 0 0 0 0 0 -1.0384 1.4556 -2.4026 H 0 0 0 0 0 0.3153 -1.4501 -1.4259 H 0 0 0 0 0 0.3063 -1.2159 0.3496 H 0 0 0 0 0 -3.2399 0.0605 -1.4257 H 0 0 0 0 0 -2.0958 -0.6188 -2.6284 H 0 0 0 0 0 -3.4972 2.3700 -1.8136 H 0 0 0 0 0 -3.0644 3.9473 0.6573 H 0 0 0 0 0 -3.3281 5.2482 -1.4376 H 0 0 0 0 0 -4.8972 4.4610 -1.7290 H 0 0 0 0 0 -5.7600 5.3908 0.4016 H 0 0 0 0 0 -4.1899 6.1780 0.6940 H 0 0 0 0 0 -5.7409 7.6509 -0.3709 H 0 0 0 0 0 -6.8259 2.0560 0.2441 H 0 0 0 0 0 -2.0940 -0.9983 0.4195 H 0 0 0 0 0 -1.6976 -3.6368 3.2965 H 0 0 0 0 0 -2.1478 -6.0001 2.9265 H 0 0 0 0 0 -2.6389 -7.8499 1.2914 H 0 0 0 0 0 -2.4619 -4.5586 -2.4120 H 0 0 0 0 0 -3.0004 -8.5446 -1.0186 H 0 0 0 0 0 -2.9057 -6.9147 -2.8532 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 8 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 15 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 15 16 2 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 17 29 1 0 0 0 18 19 1 0 0 0 18 31 1 0 0 0 19 20 1 0 0 0 19 28 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 25 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 38 2 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 38 42 1 0 0 0 39 40 2 0 0 0 40 41 1 0 0 0 41 42 2 0 0 0 9 43 1 0 0 0 4 44 1 0 0 0 5 45 1 0 0 0 5 46 1 0 0 0 8 47 1 0 0 0 8 48 1 0 0 0 6 49 1 0 0 0 6 50 1 0 0 0 7 51 1 0 0 0 7 52 1 0 0 0 10 53 1 0 0 0 12 54 1 0 0 0 12 55 1 0 0 0 12 56 1 0 0 0 13 57 1 0 0 0 13 58 1 0 0 0 13 59 1 0 0 0 14 60 1 0 0 0 14 61 1 0 0 0 14 62 1 0 0 0 18 63 1 0 0 0 29 64 1 0 0 0 29 65 1 0 0 0 31 66 1 0 0 0 31 67 1 0 0 0 20 68 1 0 0 0 21 69 1 0 0 0 22 70 1 0 0 0 22 71 1 0 0 0 23 72 1 0 0 0 23 73 1 0 0 0 24 74 1 0 0 0 26 75 1 0 0 0 30 76 1 0 0 0 35 77 1 0 0 0 36 78 1 0 0 0 39 79 1 0 0 0 42 80 1 0 0 0 40 81 1 0 0 0 41 82 1 0 0 0 M END $$$$