B8DT6V -OEChem-04012112353D 58 62 0 0 0 0 0 0 0999 V2000 4.0971 2.2503 -1.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.4060 1.2002 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7658 1.8492 -0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 0.3843 2.3983 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0596 2.1834 0.4375 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 -0.9010 -0.6151 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 0.3798 1.1275 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2867 -3.0130 0.5642 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 3.3904 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 3.3788 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 3.5966 1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2524 1.7128 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 0.4670 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3695 0.2267 -0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 -0.5525 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -1.7566 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -1.9200 0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3282 -1.0133 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8323 1.3650 0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5961 0.8489 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -0.6311 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -0.5213 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2791 -0.1204 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7614 -2.7319 1.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -1.6165 -2.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 0.8414 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 0.2398 1.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6146 2.5674 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4251 -0.1026 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 0.3538 -1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.2335 -2.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 -1.7262 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 -3.8492 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7632 -3.9404 1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 4.2643 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4474 4.2278 -0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5808 2.4326 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3780 2.7964 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 4.5923 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 1.6896 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9159 0.9426 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.0334 0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7219 -2.6323 2.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -2.0064 -3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2568 1.2091 -1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5353 0.5830 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0049 -0.1234 2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7513 -0.6156 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5745 2.9753 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0305 2.3190 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0999 3.3800 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7028 -0.4689 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2353 0.3898 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -1.3679 -3.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -2.2017 -4.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3198 -4.6199 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 -4.7893 1.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5835 2.1164 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 19 1 0 0 0 0 3 58 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 20 2 0 0 0 0 7 29 1 0 0 0 0 8 17 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 18 22 1 0 0 0 0 18 25 2 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 33 2 0 0 0 0 24 43 1 0 0 0 0 25 32 1 0 0 0 0 25 44 1 0 0 0 0 26 30 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$