B9KMT1 -OEChem-04022117083D 41 44 0 1 0 0 0 0 0999 V2000 1.0706 2.1022 -0.5114 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 2.8150 0.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 2.7391 -1.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 -2.5731 -1.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 1.4410 0.0708 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.3244 2.3996 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 0.5350 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 1.6133 1.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4105 -0.0174 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 0.5180 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 0.6191 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.0521 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -0.0140 1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -0.2035 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 0.2915 -2.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 -1.5655 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -1.3750 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 -1.0485 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2284 0.1107 1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9279 -0.8605 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4079 -1.6893 -1.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6562 -2.1976 0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -0.7180 2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -1.8700 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 3.0926 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 2.9845 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -0.3202 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 1.0809 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0469 2.3070 2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.1518 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6162 -1.4555 -1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 0.3767 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8569 0.9065 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7751 -1.4478 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 0.9625 1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 -1.1160 -3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9621 -2.5848 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -3.1032 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5181 -0.4696 3.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7925 -2.5159 3.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -2.8081 -2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 4 16 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$