B3X2LN -OEChem-04012117192D 40 42 0 0 0 0 0 0 0999 V2000 2.9176 -4.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.1346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -0.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 2.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 -4.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 40 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 14 2 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 21 3 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$