B0A9MD -OEChem-04042105503D 30 33 0 0 0 0 0 0 0999 V2000 -4.1572 -0.1452 1.4633 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 0.0701 1.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 0.2225 -0.5552 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4799 1.0460 0.0594 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.6744 -0.3067 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 2.1050 0.3232 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.8428 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 -0.3232 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 1.3744 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 0.1084 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2448 -2.2053 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -1.0781 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 0.0385 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -3.0139 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -2.4585 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3344 3.0787 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 -0.0704 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -0.1151 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -0.2195 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5611 -0.2459 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 0.9855 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -0.7815 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3036 -2.6544 -0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7163 -0.6459 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -4.0954 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4206 -3.1241 0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 4.1184 0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4115 -0.0790 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0098 -0.2726 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5385 -0.3196 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$