B3I7PL -OEChem-04012114033D 43 43 0 0 0 0 0 0 0999 V2000 -4.5619 1.5065 1.8460 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 0.7436 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -2.7166 0.2049 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9035 -0.5464 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -2.2492 0.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0366 -0.6295 -0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 2.4992 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 2.9303 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 3.6768 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 1.7723 -0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -1.3504 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5316 -1.7576 1.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 3.2588 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -0.3677 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 -2.3744 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3009 -1.7457 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -1.3344 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -0.4842 0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -1.3197 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 0.4284 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 -0.4071 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5978 0.4669 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0581 1.7149 0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 2.0742 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 3.3165 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7041 3.7410 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 4.4751 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 4.0914 1.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5433 2.1200 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 1.3737 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 -0.8991 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -2.2336 0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.4751 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 -0.8932 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 2.8621 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 2.4875 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 4.1163 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5126 -3.3018 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0868 -1.7222 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 -0.5253 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 -2.0004 -2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6094 -0.3772 -2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3924 1.1728 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 14 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$