LDA04C -OEChem-05022322113D 30 32 0 0 0 0 0 0 0999 V2000 -3.9541 0.2966 1.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 -0.3130 -2.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 1.1681 -0.4097 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 -1.6184 -0.4181 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 0.6342 0.9583 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 0.4678 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 1.1939 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -0.5715 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 -0.6042 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 0.4066 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 0.1676 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 0.5691 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 1.5922 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 1.6350 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 -0.8809 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2161 -1.4694 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 -0.7165 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8129 -1.5337 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 -0.4234 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 1.0310 -1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 2.1948 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 -1.4923 -1.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 1.6829 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 2.4672 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6324 2.5258 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 -1.1989 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8589 -2.3342 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 -0.7681 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -2.3901 -0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2406 -0.3448 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 8 2 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 5 19 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 22 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$