BVDZ27 -OEChem-04012116482D 43 45 0 0 0 0 0 0 0999 V2000 4.5981 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.6225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -1.1297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7359 1.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 0.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4599 -1.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 -1.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 0.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 0.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 -1.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 0.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 43 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 10 22 1 0 0 0 0 11 30 3 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 23 2 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 23 35 1 0 0 0 0 24 30 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M CHG 4 3 -1 5 -1 9 1 10 1 M END $$$$