BD7HQ1 -OEChem-04022103083D 28 30 0 0 0 0 0 0 0999 V2000 -6.3465 -1.9687 0.1371 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 2.4308 -0.1238 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2559 -0.1301 1.2288 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6392 -1.0328 0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.0828 -0.0369 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4079 1.2695 -0.1135 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -0.8843 -0.9671 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3556 1.3498 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7993 0.8134 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 1.7105 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 -0.0627 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 1.1204 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3505 0.3212 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 0.4448 1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -0.5393 -1.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -0.4156 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9928 -0.9076 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 0.0843 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -1.6457 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 -1.8752 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 2.7663 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 -0.9706 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 0.5991 -2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 0.8199 2.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 -0.9151 -2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8562 -0.6942 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -2.2752 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -2.7574 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 20 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 13 2 0 0 0 0 9 14 1 0 0 0 0 10 21 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$