@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3724 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.6805 4.0316 5.9637 Cl 1 noname -0.0837 2 C1 3.1505 4.3556 4.3907 C.2 1 noname -0.0144 3 C2 2.0364 3.6746 3.8647 C.2 1 noname -0.0244 4 C3 3.8195 5.3117 3.6037 C.2 1 noname -0.0489 5 C4 1.5923 3.9337 2.5487 C.2 1 noname -0.0212 6 C5 3.3724 5.5877 2.3007 C.2 1 noname -0.0527 7 N1 0.5062 3.3307 1.9978 N.3 1 noname 0.0081 8 C6 2.2603 4.9048 1.7798 C.2 1 noname -0.0539 9 C7 0.1741 2.0117 2.0728 C.2 1 noname 0.0599 10 N2 0.9611 1.1307 2.7439 N.2 1 noname -0.2180 11 C8 -0.9938 1.5377 1.4348 C.2 1 noname 0.0183 12 C9 0.6741 -0.1882 2.8350 C.2 1 noname 0.0598 13 C10 -1.2699 0.1527 1.5449 C.2 1 noname 0.0101 14 C11 -1.8789 2.3638 0.7108 C.2 1 noname -0.0015 15 N3 -0.4389 -0.6642 2.2350 N.2 1 noname -0.2371 16 C12 -2.4200 -0.3632 0.9259 C.2 1 noname 0.0389 17 C13 -3.0170 1.7988 0.1108 C.2 1 noname 0.0344 18 N4 -3.2441 0.4658 0.2389 N.2 1 noname -0.2513 19 N5 -3.8661 2.5879 -0.5811 N.3 1 noname -0.1102 20 C14 -5.0362 2.0930 -1.2120 C.3 1 noname -0.0101 21 H1 1.5393 2.9916 4.4398 H 1 noname 0.0655 22 H2 4.6285 5.8148 3.9728 H 1 noname 0.0638 23 H3 3.8534 6.2858 1.7337 H 1 noname 0.0623 24 H4 -0.0657 3.8948 1.4558 H 1 noname 0.1357 25 H5 1.9412 5.1158 0.8328 H 1 noname 0.0639 26 H6 1.2901 -0.8152 3.3521 H 1 noname 0.1062 27 H7 -1.7040 3.3659 0.6179 H 1 noname 0.0664 28 H8 -2.6370 -1.3582 0.9909 H 1 noname 0.0863 29 H9 -3.6691 3.5350 -0.6510 H 1 noname 0.1292 30 H10 -5.5552 2.9180 -1.7000 H 1 noname 0.0396 31 H11 -4.7712 1.3450 -1.9610 H 1 noname 0.0396 32 H12 -5.7003 1.6440 -0.4709 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 21 1 6 4 6 2 7 4 22 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 23 1 12 7 9 1 13 7 24 1 14 8 25 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 26 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 27 1 26 16 18 1 27 16 28 1 28 17 19 1 29 17 18 2 30 19 20 1 31 19 29 1 32 20 30 1 33 20 31 1 34 20 32 1 @SUBSTRUCTURE 1 noname 1