B79AVI -OEChem-04042101553D 54 56 0 0 0 0 0 0 0999 V2000 -2.1637 1.8503 -1.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 -1.2315 1.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 1.9891 0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 0.0675 -0.2046 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 -2.1464 0.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3693 -1.6677 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1004 -0.8114 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6174 -0.7601 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4388 -2.6932 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4385 -2.4628 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1422 -0.8058 0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9076 -0.0404 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7986 0.7422 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9913 -0.0290 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7568 0.7363 -1.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 1.5526 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 2.8193 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 2.0025 0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 1.3606 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2273 1.8855 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 0.4845 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 0.6016 1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 1.1266 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 -0.3074 0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 -0.4965 -0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 0.0025 -1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7224 -1.5626 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4029 -0.5718 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7452 -1.6344 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7106 -0.2375 -1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5847 0.0013 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5358 -1.3428 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5504 -3.3359 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 -2.2109 -2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3177 -3.3409 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4361 -1.8008 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6051 -3.1686 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3611 -3.0539 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2387 -1.3915 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 -0.0260 -2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 -0.0790 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 1.3336 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 3.4450 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 3.4964 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 1.7691 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2564 1.4455 2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 2.3721 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 0.1139 2.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 1.0330 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8249 0.8715 -0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 0.8373 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 -2.0300 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 -0.1994 -2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 -2.1172 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 24 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 45 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 4 50 1 0 0 0 0 5 27 1 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 23 2 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$