BP9O7W -OEChem-04022114393D 41 43 0 0 0 0 0 0 0999 V2000 -4.5497 -1.5712 0.7959 P 0 3 0 0 0 0 0 0 0 0 0 0 -3.1404 -1.3958 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8657 -0.0047 1.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 -1.8861 2.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 0.2332 -1.5135 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 1.0654 -0.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 1.7879 -0.6936 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 3.4704 0.7697 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3087 3.5114 1.2804 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 -0.6292 -2.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 0.1256 -1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 -1.9552 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 1.3123 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8086 -0.9415 -1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 1.8142 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2095 -1.7771 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2254 -1.0694 -1.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 2.9360 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.6897 -0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 -1.7000 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 2.8720 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2315 -1.5251 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 -1.5355 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 -1.4480 2.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -0.0777 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6403 -0.8161 -3.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -2.5308 -2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -2.5855 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3211 -1.9104 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8865 -0.7485 -3.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -1.8634 -1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7687 -0.1253 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -1.7457 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.7739 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 3.3257 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3141 -1.4561 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.4764 3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 3.1138 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1664 4.3262 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -1.3197 3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 0.4495 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 17 1 0 0 0 0 3 41 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 6 15 1 0 0 0 0 7 13 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 21 2 0 0 0 0 9 18 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 1 1 M END $$$$