B2K3UI -OEChem-04012117062D 44 45 0 1 0 0 0 0 0999 V2000 6.3301 -3.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -3.3397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -2.6311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2044 -1.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -3.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -3.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 -3.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -2.9236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 -2.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 14 2 1 6 0 0 0 2 21 1 0 0 0 0 5 15 2 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 7 20 2 0 0 0 0 8 24 2 0 0 0 0 9 26 1 0 0 0 0 9 44 1 0 0 0 0 10 26 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 6 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$