B3H4TG -OEChem-04012112173D 51 52 0 0 0 0 0 0 0999 V2000 -3.0956 1.7925 0.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 0.9000 1.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8024 1.8358 -0.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 1.1489 -0.4443 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 3.2735 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 3.7654 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 3.9532 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 3.6018 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0320 1.2140 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0784 -0.2555 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 0.7209 0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -1.0284 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6745 -0.8724 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 -2.4180 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7184 -2.2622 -1.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 -0.0172 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -3.0348 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -1.3291 0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -3.2444 1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -2.9220 -2.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3481 0.6236 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -2.0000 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5701 -2.0391 1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -0.0474 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7262 -1.3593 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 3.2350 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 4.8341 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 3.6385 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 3.5518 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 3.8289 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 5.0322 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 3.2566 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 3.2486 0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 4.6925 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 0.9769 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -0.5470 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3394 -0.2747 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -4.1183 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -2.7618 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5586 -4.2239 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 -3.3939 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -2.2928 -3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -3.8724 -2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 -3.1155 -2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 1.6466 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -3.0218 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5493 -1.6277 2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 -1.9574 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 -3.1092 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 0.4520 -1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 -1.8814 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 38 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 25 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$