BSB5E3 -OEChem-04012116032D 80 81 0 1 0 0 0 0 0999 V2000 16.9391 2.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2178 3.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0214 2.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 2.0046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7700 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9609 2.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4336 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7768 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2627 1.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9909 1.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 0.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -0.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5675 0.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6380 2.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -1.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -2.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -2.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 24 1 0 0 0 0 2 72 1 0 0 0 0 3 26 2 0 0 0 0 4 27 1 0 0 0 0 4 73 1 0 0 0 0 5 30 1 0 0 0 0 5 35 1 0 0 0 0 6 20 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 74 1 0 0 0 0 32 34 1 0 0 0 0 32 75 1 0 0 0 0 33 34 2 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 M END $$$$