B9CAN1 -OEChem-04042107033D 38 40 0 0 0 0 0 0 0999 V2000 0.6027 1.3441 -0.6047 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 -2.1855 0.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 -3.4950 -0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 0.4437 -0.1887 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 0.0839 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9277 0.2653 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0903 -1.1597 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 0.2427 -0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 0.2159 1.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 -0.9032 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.0640 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 0.7335 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5897 1.4945 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -2.3718 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9636 1.5393 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 -0.8705 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 -0.5637 1.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 1.5531 1.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6868 0.3620 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6631 2.8562 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 1.4792 -2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 -0.3954 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 -1.9146 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 0.7697 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0533 2.4275 -0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -1.7870 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1298 -0.0149 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -1.5274 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -0.7606 2.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 2.1983 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 2.0981 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 1.4066 2.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7534 0.3951 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5788 3.2787 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7251 2.7555 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2326 3.5635 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 1.8489 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 1.7145 -2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 16 1 0 0 0 0 11 23 1 0 0 0 0 12 21 2 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$