B8VAZ2 -OEChem-04022113383D 35 36 0 0 0 0 0 0 0999 V2000 -4.2754 0.2658 -0.1039 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7313 1.7399 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 1.7961 0.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 0.6643 -1.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9899 -0.8188 0.5544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0327 -2.4934 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 -2.3529 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -1.0631 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 -0.9849 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -0.2456 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 -0.7393 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 0.1170 -1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 -1.2865 0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.1988 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -0.1207 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 0.4263 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 -0.9772 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4143 1.7130 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8567 3.1611 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8906 -3.0098 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 -3.0491 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -3.1637 -0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6585 -2.3846 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 -0.5367 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -1.0636 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.5505 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3278 -1.9508 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 1.0996 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 -1.4082 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 2.0065 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 1.4708 1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 2.5157 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 3.4609 -0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 3.4518 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 3.6568 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$