B8UQX5 -OEChem-04022103423D 22 23 0 0 0 0 0 0 0999 V2000 -0.5245 2.2662 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 0.9651 0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -0.1949 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 -1.6260 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -1.1675 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 0.4251 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 -0.2271 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 0.6476 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.7974 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 0.5538 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6206 -1.6683 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4024 0.2237 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 -1.9952 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 2.5672 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -0.1093 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 1.1738 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 1.1942 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6712 -1.9792 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 -2.1029 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1724 -2.0951 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -1.5921 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6419 -3.0631 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 2 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 7 1 0 0 0 0 4 13 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$