BA2KV3 -OEChem-04012115422D 39 41 0 0 0 0 0 0 0999 V2000 14.1923 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 1.2052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -0.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.2982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9961 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1093 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0573 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 -0.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 0.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9976 0.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 37 1 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 4 12 2 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 30 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$