DR1105 -OEChem-05042003363D 31 32 0 0 0 0 0 0 0999 V2000 -5.3247 0.1879 0.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.5301 -1.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 0.5834 0.1821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 1.8193 -0.2551 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5046 -0.0503 0.3777 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 -0.2274 -0.1459 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8965 -0.4104 -1.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -0.4830 0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -1.2157 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 1.1704 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7336 -1.0032 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5192 1.3303 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -0.2135 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -0.4074 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 0.6227 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 -0.6874 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 -0.4855 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 -2.1182 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 -1.3642 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 1.1215 -1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 2.0426 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 -1.8416 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6963 -0.9420 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 1.4734 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 2.2070 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 -0.0749 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 -1.1101 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8414 -1.3667 -0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -1.4348 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9509 -0.0437 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6896 0.2080 1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$