B71LJO -OEChem-04022102593D 52 55 0 0 0 0 0 0 0999 V2000 8.8205 1.0941 -1.8616 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5363 0.2734 -1.7263 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3085 -3.0231 -0.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1062 -1.7779 1.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -1.2857 -0.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -0.1307 0.2261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1944 -0.9242 -0.5424 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8494 1.7104 -1.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 0.0978 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -2.0800 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1743 0.3178 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1009 -1.2261 -0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.8612 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5738 0.4408 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 -0.9754 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -1.7355 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 0.4756 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 0.9804 1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1963 -0.0211 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1282 -1.0123 0.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 0.7396 -0.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 0.2012 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 1.0502 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2079 1.5546 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0967 1.5897 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 1.1992 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9235 1.9147 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 -0.5735 2.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8725 2.9871 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 0.7247 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 0.3986 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 -2.8877 -1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 -2.5463 0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 1.3873 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -0.2352 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 -1.8786 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 -0.8100 -1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6341 -0.0873 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -0.6554 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 -2.1182 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -2.6076 -0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.0741 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 0.9556 2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4997 1.9714 2.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0766 2.0399 0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0716 1.4211 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6782 -1.6381 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7463 -0.4380 3.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4831 -0.2467 2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9385 3.7620 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5409 3.4622 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8686 2.5674 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 13 2 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 27 2 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 18 24 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$