BV4EP9 -OEChem-04012112122D 87 91 0 1 0 0 0 0 0999 V2000 13.0449 6.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8669 1.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5562 2.6090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2241 3.3533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2026 3.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9101 3.9115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 1.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8454 1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5942 4.9041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5133 2.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 2.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 4.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 1.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5749 5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9663 3.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1776 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3125 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 4.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 5.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -4.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -4.9252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -3.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -4.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 3.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 3.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0330 2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 0.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3718 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3270 5.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8958 1.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 2.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 3.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9553 2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4977 4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3421 4.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6905 1.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9482 1.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 5.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0469 5.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7233 3.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 3.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5882 0.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3702 0.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5452 0.0000 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 6.8671 -4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 1 1 6 0 0 0 1 76 1 0 0 0 0 2 33 1 0 0 0 0 34 2 1 1 0 0 0 3 33 2 0 0 0 0 4 34 1 0 0 0 0 4 37 1 0 0 0 0 35 5 1 6 0 0 0 5 84 1 0 0 0 0 36 6 1 1 0 0 0 6 85 1 0 0 0 0 38 7 1 6 0 0 0 7 86 1 0 0 0 0 8 39 1 0 0 0 0 8 87 1 0 0 0 0 9 39 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 1 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 40 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 41 1 1 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 6 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 27 1 1 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 15 43 1 6 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 17 26 1 0 0 0 0 17 46 1 1 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 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