BS94PE -OEChem-04022105173D 43 46 0 0 0 0 0 0 0999 V2000 4.4179 -1.4640 -0.8073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -1.9589 0.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 0.1543 0.5526 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -2.9475 0.1308 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 0.2781 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 1.0856 0.0825 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 1.5791 2.5047 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -2.4121 1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -2.5429 -1.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -1.1948 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 -2.2779 1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 -2.4048 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 0.8803 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2629 0.7931 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 -1.7699 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 -1.0239 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1582 1.1863 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 2.1583 0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8588 2.2257 0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 1.5524 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6316 1.1798 -1.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2908 1.9118 -0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 1.5393 -2.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 1.9053 -2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 1.5671 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -1.8774 2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 -3.4664 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -3.6013 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -2.0508 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 -1.2284 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -2.7297 2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5639 -1.3551 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6814 -2.9439 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 -2.8181 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 0.1446 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 1.6998 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -2.7996 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 2.9391 1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 3.0609 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 0.9340 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3293 2.1995 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 1.5397 -3.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 2.1860 -3.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 19 2 0 0 0 0 7 25 3 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 2 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$