B1HWS8 -OEChem-04012114353D 47 48 0 1 0 0 0 0 0999 V2000 -7.2495 -1.8653 1.6560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.0633 0.4178 0.2513 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4393 0.6067 0.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3827 0.6137 -0.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 1.7993 0.6835 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -0.1171 0.7532 N 0 0 2 0 0 0 0 0 0 0 0 0 1.8365 -3.0916 -0.7676 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 -0.5004 0.3952 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2049 0.7747 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 -1.6099 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 0.7302 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1189 0.0095 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -1.0990 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.1705 1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9418 0.2484 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 1.1293 1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4492 0.2072 -0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 0.6477 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 0.8945 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -2.4346 -0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 0.1016 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6246 0.1664 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2119 -0.7562 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4066 1.1504 -1.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 -0.6948 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7753 1.2119 -0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3624 0.2893 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4068 -0.8639 1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 1.0205 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 1.6400 0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 -1.1971 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 -2.3240 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6092 0.5200 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 -0.9515 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2639 -1.1860 2.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 -0.7717 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9947 -2.1005 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6461 1.5452 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 -0.0858 -1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 1.4729 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.1805 -1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8873 -0.9465 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9381 0.7026 -1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 1.2113 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 -1.5206 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 1.8774 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3694 1.9857 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 19 1 0 0 0 0 4 44 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 20 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 20 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 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 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$