@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441552 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 12.7950 -13.1472 0.4363 Cl 1 noname -0.0906 2 C1 11.3230 -12.3132 0.4183 C.2 1 noname -0.0355 3 C2 10.4850 -12.3311 1.5493 C.2 1 noname -0.0270 4 C3 10.9320 -11.5931 -0.7256 C.2 1 noname -0.0270 5 C4 9.2639 -11.6371 1.5324 C.2 1 noname -0.0463 6 C5 9.7099 -10.9011 -0.7395 C.2 1 noname -0.0463 7 C6 8.8579 -10.9270 0.3814 C.2 1 noname -0.0253 8 N1 7.7028 -10.2160 0.3135 N.3 1 noname 0.0065 9 C7 6.4748 -10.6049 0.7575 C.2 1 noname 0.0607 10 N2 6.2968 -11.8199 1.3386 N.2 1 noname -0.2120 11 C8 5.3598 -9.7509 0.6026 C.2 1 noname 0.0561 12 C9 5.0957 -12.2508 1.7836 C.2 1 noname 0.0566 13 C10 4.1107 -10.2239 1.0746 C.2 1 noname 0.0635 14 C11 5.4387 -8.4659 0.0036 C.2 1 noname -0.0109 15 N3 4.0167 -11.4488 1.6466 N.2 1 noname -0.2115 16 C12 2.9707 -9.3938 0.9367 C.2 1 noname 0.0636 17 C13 4.2797 -7.6899 -0.1062 C.2 1 noname -0.0813 18 O1 1.8437 -9.7608 1.3357 O.2 1 noname -0.2810 19 N4 3.0896 -8.1668 0.3567 N.3 1 noname 0.0141 20 H1 10.7589 -12.8441 2.3894 H 1 noname 0.0638 21 H2 11.5319 -11.5671 -1.5525 H 1 noname 0.0638 22 H3 8.6729 -11.6460 2.3644 H 1 noname 0.0639 23 H4 9.4389 -10.3781 -1.5735 H 1 noname 0.0639 24 H5 7.7508 -9.3620 -0.1424 H 1 noname 0.1357 25 H6 5.0047 -13.1697 2.2156 H 1 noname 0.1062 26 H7 6.3247 -8.0988 -0.3452 H 1 noname 0.0641 27 H8 4.3236 -6.7648 -0.5342 H 1 noname 0.0754 28 H9 2.2966 -7.6158 0.2728 H 1 noname 0.1368 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 20 1 6 4 6 2 7 4 21 1 8 5 7 2 9 5 22 1 10 6 7 1 11 6 23 1 12 7 8 1 13 8 9 1 14 8 24 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 2 19 11 14 1 20 12 15 2 21 12 25 1 22 13 16 1 23 13 15 1 24 14 17 2 25 14 26 1 26 16 18 2 27 16 19 1 28 17 19 1 29 17 27 1 30 19 28 1 @SUBSTRUCTURE 1 noname 1