BS45NE -OEChem-04022101403D 35 37 0 0 0 0 0 0 0999 V2000 -4.7718 0.2313 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 -2.0313 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 0.7903 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 -0.5032 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7401 0.8218 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 0.3231 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 -0.7563 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4574 -1.3292 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 -0.5052 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 1.9107 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 1.6353 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9403 -0.8710 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0911 -0.0488 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 -0.0508 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -0.2900 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -0.2920 1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 -0.4115 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1834 -0.0107 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9113 1.3166 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 -1.7815 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -2.4110 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 1.6076 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 2.9325 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2056 2.4718 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 0.0436 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 0.0401 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0009 -0.3829 -2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -0.3867 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 -0.5992 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4550 -0.5828 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4523 -0.5829 0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9947 1.1686 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6335 1.9075 0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6362 1.9076 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END $$$$