B3VCP2 -OEChem-04012112533D 27 28 0 0 0 0 0 0 0999 V2000 -2.1210 -3.0583 0.4488 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 2.6527 0.3855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 0.2562 -1.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9529 -1.3820 -0.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 0.3875 0.6565 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 1.9090 -0.0494 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0825 -1.0771 0.1669 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0787 -0.7520 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -0.4077 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 0.9082 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 0.0819 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 1.7012 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -1.4009 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 1.2411 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 -1.0738 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 0.2466 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -0.2327 -0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 -1.2043 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -1.4638 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.7517 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 0.9520 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 2.8576 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3689 2.2675 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5263 -1.8365 -0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 0.5009 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 -1.5410 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 -2.3192 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END $$$$