LLG85F -OEChem-05032301543D 39 41 0 0 0 0 0 0 0999 V2000 4.8574 -2.5349 1.3875 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2352 -1.2250 -0.3747 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 1.5813 2.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -3.2382 0.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0982 0.3436 -1.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 1.3829 0.3672 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1881 -1.1099 0.6803 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 -1.4643 -0.6743 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 1.1890 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2796 1.6948 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6472 0.2244 -0.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 2.3084 0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 0.8506 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 0.5695 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 1.1216 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -0.5633 0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 1.1339 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 0.2353 0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 -1.1317 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 0.5654 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6364 -0.5675 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 0.7771 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0765 -2.0280 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 -0.1150 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 2.0621 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 2.4394 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 0.8719 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 -0.6952 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9107 -0.0750 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 2.6177 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 3.2080 0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 0.1114 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7865 1.6924 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 -1.0072 0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 2.0163 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1745 1.0183 -1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4413 -1.4472 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 1.8416 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7358 -2.1035 -1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 23 2 0 0 0 0 5 24 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 37 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$