DR4000 -OEChem-08132116392D 45 48 0 1 0 0 0 0 0999 V2000 6.3301 2.6342 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -2.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8008 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -1.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -1.9351 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 2.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -2.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 -1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -1.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2431 -2.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5074 -3.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 45 1 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$