BS31QN -OEChem-04012118512D 46 49 0 1 0 0 0 0 0999 V2000 7.2622 -2.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 0.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 4.0137 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3961 4.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.5137 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8602 0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.0071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5022 -2.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.4863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3961 -1.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -3.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -4.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0586 -1.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 -2.9999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 -2.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3871 -0.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9853 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -0.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -1.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -3.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 0.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 0.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -4.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -3.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -2.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 2.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 29 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 24 2 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 28 2 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 41 1 0 0 0 0 26 29 2 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$