B94TIS -OEChem-04012116102D 46 47 0 1 0 0 0 0 0999 V2000 4.7320 4.6160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.8840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 4.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 3.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 5.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 4.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -5.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -4.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 16 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 16 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 1 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END $$$$