LD1Q3P -OEChem-05022322353D 40 41 0 0 0 0 0 0 0999 V2000 2.5065 3.1176 -0.5477 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 0.2291 -1.2223 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.4832 -0.4385 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -2.8308 -1.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -2.4932 0.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -0.0208 1.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 0.8526 -0.6124 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 -3.4535 0.0145 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 1.3252 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 0.5968 1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 1.9198 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -0.3872 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1969 0.9311 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2724 0.2694 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 0.2568 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -0.8986 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 1.4913 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7984 -0.8195 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 0.4149 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 1.5704 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 0.4495 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4537 -0.0376 1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 2.1702 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 0.0905 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9321 1.3540 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9781 2.3414 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.7640 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 -0.7817 2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 -1.2450 0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 0.1602 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1376 1.4547 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 1.0225 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0719 -0.4802 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 2.3983 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4008 -1.6829 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0218 -3.8485 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 -4.0801 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4735 -0.4343 2.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -0.6881 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 0.9782 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 21 2 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$