D0E4LB -OEChem-10101305022D 48 50 0 1 0 0 0 0 0999 V2000 10.4647 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8107 0.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8145 2.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 3.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.2737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 0.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0511 0.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0044 1.9842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0539 2.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7465 3.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5556 1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 0.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9085 2.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 2.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3657 3.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1986 2.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3775 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3804 2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 -1.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2264 4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.0534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -4.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 1 0 0 0 2 35 1 0 0 0 0 14 3 1 1 0 0 0 3 36 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 13 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 21 2 0 0 0 0 9 20 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 39 1 0 0 0 0 11 28 3 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 6 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 24 3 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$