L57BCS -OEChem-05032300343D 60 63 0 1 0 0 0 0 0999 V2000 -3.6043 -1.7164 -0.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 2.0719 -1.5359 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 3.7648 0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4234 -0.2372 1.9891 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4464 -0.5752 0.8769 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 -1.6406 -0.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 0.3070 3.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 -0.4793 1.9223 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 2.4452 0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 -0.8880 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -1.3078 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -0.8928 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 -0.7201 0.5024 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7830 -0.2342 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 -1.0094 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 -1.0927 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6659 -2.0514 -1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2802 0.4081 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -1.3437 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7148 -0.8557 1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4253 -2.3347 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2012 0.1485 -1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7565 1.6748 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 0.1552 2.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -0.0290 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3609 0.2863 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7131 -2.0194 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1809 -0.7089 -1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -3.7464 -1.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6114 1.1882 -2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 2.7147 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0944 2.4714 -2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8493 1.6524 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 4.5945 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -1.6598 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4123 0.2394 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 -0.0375 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 -3.1180 -0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 -1.6821 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -1.9430 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 -2.3791 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7626 -1.0204 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3875 -1.6991 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6701 0.0458 2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6112 -0.8466 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 1.8970 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 0.5765 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.7545 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 -2.7825 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 -0.4847 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1386 -3.8167 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6004 -4.1189 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7502 -4.4182 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3341 0.9990 -3.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7675 3.7147 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4148 3.2813 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 2.1666 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 4.5475 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 4.2996 1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1093 5.6257 0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 33 2 0 0 0 0 3 9 1 0 0 0 0 3 34 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 24 2 0 0 0 0 8 15 2 0 0 0 0 8 24 1 0 0 0 0 9 33 1 0 0 0 0 9 57 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 27 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 45 1 0 0 0 0 23 31 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$