B3DZ2U -OEChem-04012116552D 37 40 0 0 0 0 0 0 0999 V2000 7.7564 1.8223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 0.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 -3.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.9881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 0.4374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 0.3442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 0.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9824 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1734 -1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 -2.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0005 -1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 -2.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 4.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 3.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3794 0.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -0.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3975 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7763 -2.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5669 -2.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 36 1 0 0 0 0 3 24 1 0 0 0 0 3 37 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 29 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 13 27 1 0 0 0 0 14 19 2 0 0 0 0 14 28 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$