B5PNJ6 -OEChem-04022108063D 52 55 0 1 0 0 0 0 0999 V2000 3.4973 -2.9996 -2.5372 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 3.7151 -0.8159 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8094 -1.5932 -1.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 1.8648 0.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1855 4.6257 0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 4.3950 -0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -2.3040 0.1341 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 -2.1138 2.5341 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 -2.1588 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 -2.6607 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 -2.0584 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -1.7488 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7094 -1.8156 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -1.5098 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.3629 -2.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -1.4596 2.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 -0.3514 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 -1.5831 -1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 -1.5024 3.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 0.7340 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -1.8265 3.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 -0.4977 -1.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 0.6608 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -0.3400 -1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2171 2.5419 0.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6364 0.8158 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8014 -0.2419 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 2.5917 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 2.0697 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4081 1.0119 -0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 3.9341 0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6288 2.1678 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 -3.5382 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -3.0170 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6379 -1.5832 -2.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4003 -3.3451 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9217 -2.3157 -2.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4802 -1.2125 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -0.2930 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -1.2870 4.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 -1.8643 4.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 -0.5386 -2.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 1.5036 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 2.0396 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 0.7673 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4126 -1.1393 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 3.1336 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 1.5843 2.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 3.0911 2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 2.9618 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4889 1.0731 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2778 5.5232 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 32 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 5 31 1 0 0 0 0 5 52 1 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 11 1 0 0 0 0 8 21 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 25 44 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 30 2 0 0 0 0 27 46 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 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$