BHI5N3 -OEChem-04012113472D 88 91 0 1 0 0 0 0 0999 V2000 5.0381 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2702 -2.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -2.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 2.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 5.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 3.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9041 -0.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 2.3785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 4.6949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4041 -0.9821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4041 -0.9821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7702 1.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9041 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 0.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3528 1.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8528 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2702 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 3.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 4.0258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2905 4.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 5.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4495 5.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7553 5.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2702 -4.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0022 -4.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 -4.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -4.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2702 -5.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0022 -5.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8061 -5.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 -5.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -5.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -5.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 -0.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -0.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 1.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 0.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 0.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7677 1.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8544 2.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4192 2.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6612 3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 4.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3768 3.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9101 4.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 5.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 5.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7468 -3.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 -3.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6411 5.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 5.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2579 6.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1701 6.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 6.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 5.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 -4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5392 -4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 5.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 4.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 3.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 5.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 6.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 5.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4517 3.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 3.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 -5.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5392 -5.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 -5.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 32 1 0 0 0 0 8 29 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 22 11 1 1 0 0 0 11 29 1 0 0 0 0 11 59 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 1 0 0 0 12 46 1 0 0 0 0 13 20 1 6 0 0 0 13 47 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 25 30 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 31 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 33 70 1 0 0 0 0 34 41 2 0 0 0 0 34 71 1 0 0 0 0 35 42 1 0 0 0 0 35 72 1 0 0 0 0 36 43 2 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 44 2 0 0 0 0 40 83 1 0 0 0 0 41 44 1 0 0 0 0 41 84 1 0 0 0 0 42 45 2 0 0 0 0 42 85 1 0 0 0 0 43 45 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 M END $$$$