B45NAS -OEChem-04022109153D 27 29 0 0 0 0 0 0 0999 V2000 1.1902 2.2833 0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 0.3931 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 2.1435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 -0.3685 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 -0.9971 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 0.7702 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 -1.4838 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.3647 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 1.2056 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 -1.5975 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 0.6348 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3646 -0.3634 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 -0.3625 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3198 -0.8154 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 -0.3602 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -0.3592 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4572 -0.3580 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 -2.5296 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 2.2806 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3134 -2.6784 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -0.3650 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8374 -0.3634 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 1.2244 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3127 -1.2518 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -0.3591 -2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 -0.3574 2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 -0.3553 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 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 6 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$