B7SIN9 -OEChem-04012114252D 63 66 0 1 0 0 0 0 0999 V2000 7.0985 1.1213 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1370 -4.5693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.9482 -3.4108 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.9786 -3.7582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 0.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4406 2.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3159 2.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 4.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7897 -2.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.9633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 3.1575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 1.4633 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2078 1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 0.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2119 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1516 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9176 0.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9706 -1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7367 -0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1443 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6764 -1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0840 -2.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8500 -2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9634 -3.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 2.3387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2878 -0.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7754 0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 -0.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 -0.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 2.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -0.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 -0.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 2.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 2.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 3.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2592 -1.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 1.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 4.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 -1.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 -1.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -0.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6693 -2.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1513 -0.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1916 -3.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 7 22 2 0 0 0 0 8 12 1 0 0 0 0 8 57 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 51 1 0 0 0 0 12 22 1 0 0 0 0 12 52 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 34 2 0 0 0 0 32 61 1 0 0 0 0 33 35 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 M END $$$$