B7Q0IF -OEChem-04022116003D 50 53 0 1 0 0 0 0 0999 V2000 -4.2983 1.4693 -1.2536 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.7640 -2.6441 -1.1171 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 -2.1470 0.4981 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 -3.4489 -0.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -2.0123 1.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 0.1825 2.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -1.2123 -0.3657 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 0.1337 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6219 2.7104 -0.9953 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 -0.5033 1.0691 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 -0.3634 -0.8838 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 0.0565 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 0.2474 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 -1.4411 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 0.6941 0.3634 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4088 2.1986 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9233 -1.2444 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 2.9663 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7685 -0.0873 0.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5546 -1.1728 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 4.3483 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 -0.6831 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 0.0138 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 4.0575 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 4.9122 -0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6186 0.0228 -1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -0.0565 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 -1.9162 0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9252 -0.6627 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5595 -2.5223 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 -1.8955 -0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 0.2760 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 0.5087 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 0.9045 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -2.1138 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -1.8210 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.4093 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -0.0850 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 2.5202 2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 -1.6100 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 4.9847 2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3626 0.6620 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 4.4471 -2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3172 5.9869 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 -0.7763 -2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5773 0.1837 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 0.9443 -2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8057 -2.4176 1.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5239 -0.1757 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8589 -3.4833 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 6 19 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 38 1 0 0 0 0 9 16 1 0 0 0 0 9 24 2 0 0 0 0 10 17 1 0 0 0 0 10 23 2 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$