B3VM2X -OEChem-04042104353D 41 43 0 0 0 0 0 0 0999 V2000 -4.6764 0.7387 0.5867 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 -1.0047 -0.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 -0.0812 -1.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 0.7757 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0505 -2.4665 1.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0612 2.9970 0.4281 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8381 1.7531 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.8861 0.2034 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0944 -0.3956 0.6226 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 1.8612 -0.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3182 -0.5194 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 -0.2352 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7679 0.7374 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 0.8813 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 -1.6324 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -1.4887 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.8173 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 -0.9435 -0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 -0.7081 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -0.0815 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1772 -0.6331 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 -1.6217 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -1.7416 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -0.1825 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4217 0.7340 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -0.3637 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2978 1.8238 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0864 0.7283 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 1.8493 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 -2.6202 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -2.3730 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3279 -0.4699 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0253 -1.7640 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1975 -0.1710 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 -1.5484 -0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -0.4374 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -2.1926 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1896 0.4379 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9599 -1.2711 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7296 2.7289 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1542 0.7261 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 20 2 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 2 0 0 0 0 10 25 2 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 24 38 1 0 0 0 0 26 28 1 0 0 0 0 26 39 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$