D8CJE9 -OEChem-06062108553D 38 41 0 0 0 0 0 0 0999 V2000 1.9852 -3.3146 0.2428 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4497 -1.2422 -1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3123 0.1378 -0.9207 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 -0.0082 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -1.2005 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 1.3141 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3752 -0.1168 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 -1.1363 -0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 1.2673 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 1.1602 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -1.4074 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 1.3749 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 0.3388 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -1.7174 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -0.9229 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 2.1459 1.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -2.5133 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 2.5720 -0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -3.6082 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 3.3319 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 3.5450 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1717 -2.1754 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 -1.2170 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9704 1.5252 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 2.1822 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0389 -1.2946 -1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 -1.9489 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 2.1961 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 1.2152 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9217 0.1392 -1.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 0.0842 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 0.7413 -2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 1.9923 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 -2.5091 1.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9105 2.7546 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 -4.5557 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 4.0839 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 4.4665 0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$