BX1NG5 -OEChem-04042107253D 27 27 0 0 0 0 0 0 0999 V2000 -2.9849 -0.7222 0.2333 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.2164 -0.7084 -0.8204 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 -1.9683 -0.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.5502 -0.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 -0.8779 1.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 0.8710 0.6483 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.8119 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0389 2.0033 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 0.6347 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 0.8054 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -0.6136 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 0.7533 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0018 -0.2880 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4811 -1.7072 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.5443 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6094 1.6975 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 2.7241 -0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 2.1418 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 2.8977 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 0.1240 1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 1.7790 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7327 -0.7533 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -0.1614 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 -2.6853 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3091 -2.3957 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9005 -1.4085 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -2.8807 -0.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 4 12 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 M END $$$$