B41EJD -OEChem-04022109563D 28 29 0 0 0 0 0 0 0999 V2000 -3.4605 -2.1305 0.0126 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.2853 -0.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6513 -0.5137 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 -1.2241 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -0.1140 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 -0.1501 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 -0.2183 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.8603 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5083 0.5093 -1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 0.4411 1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 -0.7902 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1802 1.2808 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1089 0.8050 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 -0.0719 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 1.9992 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 1.3229 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 -1.8537 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -1.9065 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -0.3730 -2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -0.4946 2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -1.9631 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 1.8346 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 0.7931 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 0.6718 2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0654 1.3187 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5695 -0.5986 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3574 3.0852 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5266 1.8822 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$