B2V1GX -OEChem-04022116503D 38 40 0 0 0 0 0 0 0999 V2000 4.0995 0.4720 0.2075 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -2.0772 1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 0.4240 1.6361 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1559 0.1434 -0.7394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.9716 -1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0618 -3.4567 0.9922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 2.0175 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 -2.9759 -0.6815 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 1.9762 0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4113 0.1955 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 -0.5708 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7606 -1.6804 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -2.2100 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 -0.8522 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5871 -1.1178 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -1.9553 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 2.5375 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 2.1300 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 -2.8996 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 1.6042 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 1.4978 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 1.3446 -0.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 1.1318 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0349 0.9786 -1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 0.8724 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3165 0.4988 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.4423 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3015 -0.8907 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 2.4083 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -2.3770 -2.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 2.1985 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 3.6312 0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -3.4990 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 2.1510 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9869 1.6966 2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0544 1.4037 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3032 1.0529 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 0.7784 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 17 1 0 0 0 0 7 29 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 33 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 34 1 0 0 0 0 10 26 3 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$