BCH2T0 -OEChem-04022108553D 45 47 0 1 0 0 0 0 0999 V2000 2.5371 0.3101 2.1003 S 0 0 1 0 0 0 0 0 0 0 0 0 2.9249 1.7579 2.1882 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 2.0474 -2.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -1.3661 -2.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5835 -1.2792 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 1.0245 1.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1014 1.6935 -1.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 2.8423 0.3849 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 0.2137 -0.5544 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 1.1703 -0.5832 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 0.1832 0.5665 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9069 -0.5798 1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 -0.0422 -0.3067 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7731 1.4154 -0.0583 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8818 1.3425 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -0.2374 1.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6405 -2.0888 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4063 -0.9548 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 0.9930 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 0.7577 -0.5383 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5529 -0.6118 -0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0004 1.8707 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1716 -1.6974 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 -0.7290 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6979 -2.9534 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 -1.9850 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 -3.0973 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8435 -0.7319 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 0.9253 -0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8175 2.3330 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -0.7531 1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 0.8378 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 -0.5306 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 -2.6759 0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 -2.3939 2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -2.3819 0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 1.1285 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 0.7863 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 -1.9591 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -1.5947 -1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7288 0.1185 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 -3.8195 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 -2.0978 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 2.4207 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0034 -4.0753 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 39 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 22 1 0 0 0 0 7 44 1 0 0 0 0 8 22 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$