EXO0180 -OEChem-04222010013D 48 51 0 1 0 0 0 0 0999 V2000 0.4877 -1.0294 2.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 2.6471 0.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5648 0.1243 -0.7436 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.6109 -2.6686 -0.8151 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 1.3043 0.5548 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6685 -0.4430 0.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7674 0.2701 1.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 0.6337 -0.7324 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4069 2.3155 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -0.1147 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3272 1.5844 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3242 -0.4413 1.3593 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1849 -0.2706 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -1.1951 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4055 -0.0921 -0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -0.5854 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 -2.5246 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 -1.3726 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1951 0.7646 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 -3.2139 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.7717 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3876 1.3399 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 0.5704 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8942 3.1686 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 1.8101 1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 -1.4866 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -0.4640 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 0.7853 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3493 1.4365 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 3.1128 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 2.7903 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7807 0.2232 -2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 -1.1951 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3383 1.8160 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3083 1.9803 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.5904 1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 -1.1339 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3944 -1.1578 3.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 -0.7885 -0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 0.7436 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4186 -3.0377 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5336 1.4164 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -4.2615 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7651 -1.3540 -1.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 0.9467 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7458 2.6652 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 3.1455 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9382 4.2205 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 38 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 18 2 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 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 13 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END $$$$