BK2T4S -OEChem-04012119502D 51 53 0 1 0 0 0 0 0999 V2000 5.7570 0.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4434 3.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 -0.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0906 2.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2923 2.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5883 1.3065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 2.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 2.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2433 1.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1343 2.1975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6973 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4215 3.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7305 4.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 2.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 1.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5129 3.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 3.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 2.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 1.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1634 2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6629 2.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1780 1.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3202 4.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 4.8972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 4.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 17 2 1 6 0 0 0 2 20 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 15 1 0 0 0 0 16 8 1 1 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 40 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$