B8ZCN0 -OEChem-04012115342D 40 41 0 0 0 0 0 0 0999 V2000 2.8954 -1.2655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 0.3901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.4946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5665 3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -1.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1543 3.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 -1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 4.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -3.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -3.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -4.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -4.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 3.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0525 2.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4039 1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4872 2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 3.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 4.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 1.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 -2.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0541 -1.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 -0.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 5.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4954 5.4197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1811 4.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -3.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -3.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 1.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -4.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -4.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -5.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$