@MOLECULE DB07185 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.0876 -1.7370 1.2243 Cl 1 noname -0.0877 2 C1 0.6694 -0.1763 0.9563 C.2 1 noname -0.0241 3 C2 1.3709 0.1134 -0.2082 C.2 1 noname -0.0167 4 C3 0.4472 0.8198 1.8999 C.2 1 noname -0.0167 5 C4 1.8503 1.3993 -0.4290 C.2 1 noname -0.0190 6 C5 0.9266 2.1057 1.6791 C.2 1 noname -0.0190 7 C6 1.6281 2.3955 0.5146 C.2 1 noname 0.0049 8 O1 2.0937 3.6443 0.3001 O.3 1 noname -0.2685 9 C7 1.1101 4.4049 -0.3857 C.3 1 noname 0.1271 10 C8 1.6136 5.7556 -0.6177 C.2 1 noname 0.1435 11 O2 2.7565 6.0728 -0.2232 O.2 1 noname -0.2664 12 N1 0.8505 6.6551 -1.2535 N.3 1 noname -0.1245 13 C9 1.3127 7.8947 -1.4664 C.2 1 noname 0.0287 14 C10 0.5212 8.8278 -2.1259 C.2 1 noname 0.0180 15 C11 2.5836 8.2475 -1.0277 C.2 1 noname -0.0199 16 C12 -0.7498 8.4750 -2.5646 C.2 1 noname 0.0905 17 C13 1.0005 10.1137 -2.3467 C.2 1 noname -0.0006 18 C14 3.0630 9.5334 -1.2486 C.2 1 noname -0.0301 19 O3 -1.4616 9.3141 -3.1576 O.2 1 noname -0.2581 20 O4 -1.2153 7.2261 -2.3501 O.3 1 noname -0.2180 21 C15 2.2714 10.4665 -1.9081 C.2 1 noname -0.0453 22 H1 1.5452 -0.6677 -0.9481 H 1 noname 0.0639 23 H2 -0.1029 0.5926 2.8131 H 1 noname 0.0639 24 H3 2.4004 1.6265 -1.3421 H 1 noname 0.0650 25 H4 0.7524 2.8869 2.4190 H 1 noname 0.0650 26 H5 0.9849 3.9346 -1.3610 H 1 noname 0.0670 27 H6 0.2606 4.4885 0.2921 H 1 noname 0.0670 28 H7 -0.0729 6.3987 -1.5722 H 1 noname 0.1372 29 H8 3.2043 7.5158 -0.5106 H 1 noname 0.0639 30 H9 0.3798 10.8454 -2.8639 H 1 noname 0.0631 31 H10 4.0596 9.8101 -0.9046 H 1 noname 0.0623 32 H11 -1.2755 7.0648 -1.4056 H 1 noname 0.2216 33 H12 2.6473 11.4749 -2.0812 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 2 15 13 15 1 16 14 16 1 17 14 17 1 18 15 18 2 19 16 19 2 20 16 20 1 21 17 21 2 22 18 21 1 23 3 22 1 24 4 23 1 25 5 24 1 26 6 25 1 27 9 26 1 28 9 27 1 29 12 28 1 30 15 29 1 31 17 30 1 32 18 31 1 33 20 32 1 34 21 33 1 @SUBSTRUCTURE 1 noname 1