BHW6D1 -OEChem-04012118572D 53 56 0 1 0 0 0 0 0999 V2000 5.0003 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5236 7.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6352 5.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8663 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5003 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5003 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 8.8503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 7.4864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9979 7.3449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0204 8.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4027 7.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 6.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9419 8.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0692 6.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 8.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5257 7.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 9.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 8.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 6.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0763 6.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 6.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 7.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6391 6.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5678 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 5.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3535 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2821 4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1342 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 6.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 9.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 7.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 6.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 6.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 8.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3006 7.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 6.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 6.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 8.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 8.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 8.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 9.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 9.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3767 8.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 7.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9921 4.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 6.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 3.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7692 4.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 53 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 1 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 31 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$