B4QRG3 -OEChem-04042105523D 42 44 0 1 0 0 0 0 0999 V2000 0.9608 -1.7211 0.5744 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2481 1.8891 -0.4337 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 -1.2227 -0.2019 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4110 -1.2686 0.8784 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5387 -2.2572 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8051 -0.6220 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -1.7080 -1.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 -0.0920 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.1809 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 0.2297 1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -0.0639 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 1.3468 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 0.7890 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -0.3493 -0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.2222 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 0.7077 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 2.2792 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2795 2.0220 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 -0.5332 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 -3.2913 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 -2.1509 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -2.1678 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2314 0.0159 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 -1.9944 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5203 -2.5847 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -0.9217 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 -1.8922 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -1.7350 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 0.6859 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8087 -0.3972 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 -0.5061 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 0.5645 -1.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 2.0588 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 1.8998 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 0.1590 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2067 -1.3684 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 1.4403 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0626 1.5147 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6035 2.4134 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8091 0.5075 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 3.3027 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 2.8451 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 M END $$$$