B91CUV -OEChem-04012114462D 26 27 0 0 0 0 0 0 0999 V2000 7.1279 -0.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 2.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -1.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 1.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 15 3 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$