BJPW06 -OEChem-04022106512D 31 33 0 0 0 0 0 0 0999 V2000 7.2418 -1.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8843 -2.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.3677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4423 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -1.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 0.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0083 -0.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 -2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$