BRB8W7 -OEChem-04022100282D 61 63 0 0 0 0 0 0 0999 V2000 3.8998 -0.5892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1785 -2.3493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 3.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -3.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 4.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -8.4371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 7.2146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -3.9371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7966 -2.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 5.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 6.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -7.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 1.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 2.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 1.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -6.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -6.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -5.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -4.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -8.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -8.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4876 -1.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9876 -2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 8.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 -1.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 8.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2774 5.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 5.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 2.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 6.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 5.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8205 -0.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7372 0.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 4.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 0.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 3.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 1.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -7.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -7.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -5.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -5.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 7.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -8.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -9.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -9.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -9.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -9.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2976 -8.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 -4.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -0.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 8.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 9.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 9.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 27 2 0 0 0 0 5 32 2 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 8 50 1 0 0 0 0 9 27 1 0 0 0 0 9 31 1 0 0 0 0 9 57 1 0 0 0 0 10 31 2 0 0 0 0 10 33 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 19 22 2 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 33 2 0 0 0 0 32 34 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END $$$$