B3D7RA -OEChem-04012114262D 47 50 0 0 0 0 0 0 0999 V2000 8.6279 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.9603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7915 -3.2204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9255 -2.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -0.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 0.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5346 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1334 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 2.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 2.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 3.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 0.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -1.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 1.4973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7479 0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1411 -2.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7185 -1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 30 1 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 4 35 1 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$