D0S3WN -OEChem-10191521412D 43 45 0 1 0 0 0 0 0999 V2000 4.8219 5.0746 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 1.9948 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4104 3.6884 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7735 5.3820 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 -1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -2.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -0.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 1.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 2.3022 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0958 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 4.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 4.3588 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1524 3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4661 6.3336 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7251 5.6894 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6783 -3.2189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.8283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -1.9610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 -0.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -2.2683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -0.6503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -1.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 0.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 0.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -0.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 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 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 22 6 1 1 0 0 0 6 38 1 0 0 0 0 23 7 1 1 0 0 0 7 39 1 0 0 0 0 8 26 1 0 0 0 0 24 17 1 6 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 28 2 0 0 0 0 18 29 1 0 0 0 0 19 27 1 0 0 0 0 19 31 2 0 0 0 0 20 30 2 0 0 0 0 20 31 1 0 0 0 0 21 30 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 6 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 27 29 2 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 31 41 1 0 0 0 0 M CHG 4 10 -1 13 -1 15 -1 16 -1 M END $$$$