@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3429 29 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.5673 2.6559 4.9616 Cl 1 noname -0.0776 2 C1 3.7862 3.3609 4.0067 C.2 1 noname 0.0091 3 C2 3.8431 3.2329 2.5908 C.2 1 noname 0.0251 4 C3 4.7641 4.1119 4.6867 C.2 1 noname -0.0220 5 C4 4.8990 3.8730 1.8839 C.2 1 noname 0.0091 6 C5 2.8611 2.4810 1.8939 C.2 1 noname -0.0074 7 C6 5.7970 4.7399 3.9798 C.2 1 noname -0.0426 8 Cl2 5.0870 3.7810 0.1970 Cl 1 noname -0.0776 9 C7 5.8639 4.6220 2.5849 C.2 1 noname -0.0220 10 C8 2.9060 1.0701 1.8270 C.2 1 noname 0.0526 11 C9 1.8010 3.1451 1.2399 C.2 1 noname -0.0049 12 N1 1.9500 0.3902 1.1481 N.2 1 noname -0.2209 13 N2 3.8769 0.3552 2.4160 N.3 1 noname -0.1126 14 C10 0.8260 2.4101 0.5430 C.2 1 noname -0.0234 15 C11 0.9229 1.0022 0.5101 C.2 1 noname 0.0520 16 C12 -0.2559 2.9952 -0.1348 C.2 1 noname 0.0244 17 N3 -0.0010 0.2683 -0.1527 N.2 1 noname -0.1958 18 N4 -1.1499 2.2092 -0.7817 N.2 1 noname -0.2288 19 C13 -1.0320 0.8603 -0.7967 C.2 1 noname 0.0966 20 N5 -1.9320 0.1174 -1.4466 N.3 1 noname -0.0782 21 H1 4.7310 4.2110 5.7037 H 1 noname 0.0638 22 H2 6.4999 5.2840 4.4799 H 1 noname 0.0623 23 H3 6.6259 5.0860 2.0880 H 1 noname 0.0638 24 H4 1.7420 4.1651 1.2700 H 1 noname 0.0638 25 H5 3.8729 -0.6116 2.3440 H 1 noname 0.1258 26 H6 4.5788 0.8033 2.9130 H 1 noname 0.1258 27 H7 -0.3760 4.0082 -0.1447 H 1 noname 0.0848 28 H8 -1.8450 -0.8484 -1.4555 H 1 noname 0.1273 29 H9 -2.6700 0.5455 -1.9075 H 1 noname 0.1273 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 21 1 8 5 8 1 9 5 9 2 10 6 10 1 11 6 11 2 12 7 9 1 13 7 22 1 14 9 23 1 15 10 12 2 16 10 13 1 17 11 14 1 18 11 24 1 19 12 15 1 20 13 25 1 21 13 26 1 22 14 16 2 23 14 15 1 24 15 17 2 25 16 18 1 26 16 27 1 27 17 19 1 28 18 19 2 29 19 20 1 30 20 28 1 31 20 29 1 @SUBSTRUCTURE 1 noname 1