B4V1AP -OEChem-04012115453D 46 49 0 1 0 0 0 0 0999 V2000 2.9749 1.4881 1.8074 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4817 1.6705 0.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -4.5669 0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1294 0.8401 0.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 2.3625 1.8045 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 0.6844 -0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1385 1.6989 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 -0.7085 -0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 0.2235 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 1.6102 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 2.4355 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 0.4528 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4509 1.8705 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 -0.5480 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 -1.1873 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -1.5265 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 3.4212 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4353 2.2964 -1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 -0.0750 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -1.0878 -1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 -2.4837 1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -2.8230 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 -0.8547 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 -3.3016 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6658 3.1002 -2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -4.9920 1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.9079 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 -0.7339 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 -0.5737 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 -1.1665 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 2.9687 2.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1663 4.3072 2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5153 3.7849 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 2.9078 -2.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 1.3960 -2.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 0.1097 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -1.6915 -2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -2.7919 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -3.4552 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7733 -1.2813 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 2.5066 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 3.9924 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6048 3.4180 -3.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -6.0211 1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 -4.3928 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -5.0127 2.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 11 17 1 0 0 0 0 12 19 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 22 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 25 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$