B61JBE -OEChem-04012112483D 31 33 0 0 0 0 0 0 0999 V2000 0.8163 1.1773 -0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6659 1.6762 0.0042 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8123 2.8521 -0.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 -2.7469 0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -2.2580 -0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 -0.6791 -0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4139 1.7515 -0.0024 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5204 -0.5745 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 -1.7883 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.9359 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.6236 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -1.8822 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 0.5516 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -0.0619 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 -0.6810 0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -0.0835 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 1.2968 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -0.8948 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 1.8836 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -0.3079 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0477 1.0814 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7303 1.5741 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -2.8407 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 -3.7521 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3941 -0.7497 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 -1.6974 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 1.9840 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 -1.9777 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0052 2.9654 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8119 -0.9325 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 1.5382 0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 10 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$