B1CWQ4 -OEChem-04012115263D 31 34 0 0 0 0 0 0 0999 V2000 4.2383 1.0191 0.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0099 2.6273 0.1751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1546 -2.4622 -0.0242 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -0.5567 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 0.8366 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 -1.1205 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1096 -0.2533 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 -1.4138 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 1.1538 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 1.6863 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 1.4157 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -0.8539 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 0.4671 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -2.7914 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -0.7429 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0451 2.0069 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0635 -3.2588 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5316 0.1176 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 1.4919 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 0.6311 -0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 2.7655 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 -1.5549 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -3.4848 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 -1.8134 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9162 3.0875 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 -4.3235 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 -0.2896 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1908 2.1637 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9068 1.2589 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 0.7889 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 -0.4090 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 6 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$