@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444938 57 60 1 SMALL USER_CHARGES @ATOM 1 Cl1 14.3217 -7.5851 -3.7876 Cl 1 noname -0.0819 2 C1 13.9406 -7.8911 -2.1674 C.2 1 noname 0.0015 3 C2 13.1665 -6.9700 -1.4414 C.2 1 noname 0.0061 4 C3 14.4006 -9.0651 -1.5423 C.2 1 noname -0.0112 5 C4 12.8515 -7.2240 -0.0953 C.2 1 noname 0.0015 6 C5 14.0985 -9.3441 -0.1872 C.2 1 noname -0.0203 7 Cl2 11.9164 -6.1169 0.7777 Cl 1 noname -0.0819 8 C6 13.3145 -8.4010 0.5217 C.2 1 noname -0.0112 9 C7 14.5705 -10.5361 0.4448 C.2 1 noname -0.0300 10 C8 14.9455 -10.5420 1.8108 C.2 1 noname -0.0076 11 C9 14.6805 -11.7481 -0.2751 C.2 1 noname -0.0306 12 C10 15.4115 -11.7120 2.4559 C.2 1 noname 0.0535 13 C11 15.1534 -12.9181 0.3379 C.2 1 noname -0.0032 14 C12 15.5214 -12.9010 1.6909 C.2 1 noname 0.0479 15 C13 15.7924 -11.7590 3.8230 C.2 1 noname 0.0330 16 N1 15.9914 -14.0350 2.2630 N.2 1 noname -0.1885 17 C14 15.7064 -10.6699 4.6671 C.2 1 noname 0.0909 18 C15 16.2794 -12.9670 4.3651 C.2 1 noname 0.0570 19 C16 16.3763 -14.1190 3.5621 C.2 1 noname 0.0563 20 O1 14.6893 -9.9978 4.7392 O.2 1 noname -0.2586 21 O2 16.7014 -10.3608 5.4792 O.3 1 noname -0.2183 22 C17 16.8593 -15.3450 4.0602 C.2 1 noname 0.0433 23 O3 17.1353 -15.4890 5.2733 O.2 1 noname -0.2847 24 N2 17.0312 -16.3860 3.2122 N.3 1 noname -0.0593 25 C18 17.5152 -17.6700 3.6043 C.3 1 noname 0.1045 26 C19 18.8882 -17.5990 4.0464 C.2 1 noname 0.1484 27 C20 17.4172 -18.6430 2.4073 C.3 1 noname -0.0023 28 O4 19.1832 -18.0059 5.1615 O.2 1 noname -0.2478 29 O5 19.8102 -17.0999 3.2234 O.3 1 noname -0.2044 30 C21 16.0291 -18.8339 1.9363 C.2 1 noname -0.0660 31 C22 21.1613 -16.9789 3.6695 C.3 1 noname 0.0454 32 C23 15.6370 -18.3919 0.6563 C.2 1 noname -0.0475 33 C24 15.0790 -19.4649 2.7644 C.2 1 noname -0.0475 34 C25 14.3159 -18.5728 0.2134 C.2 1 noname -0.0312 35 C26 13.7569 -19.6479 2.3225 C.2 1 noname -0.0312 36 C27 13.3748 -19.2018 1.0465 C.2 1 noname -0.0019 37 O6 12.1057 -19.3747 0.6145 O.3 1 noname -0.2861 38 H1 12.8315 -6.1159 -1.8923 H 1 noname 0.0653 39 H2 14.9745 -9.7181 -2.0803 H 1 noname 0.0644 40 H3 13.0664 -8.5770 1.4978 H 1 noname 0.0644 41 H4 14.8914 -9.6719 2.3409 H 1 noname 0.0636 42 H5 14.4084 -11.7940 -1.2591 H 1 noname 0.0629 43 H6 15.2294 -13.7801 -0.2030 H 1 noname 0.0645 44 H7 16.5604 -13.0069 5.3472 H 1 noname 0.0655 45 H8 16.5153 -9.5887 6.0513 H 1 noname 0.2216 46 H9 16.7922 -16.2499 2.2822 H 1 noname 0.1323 47 H10 16.8991 -18.0520 4.4224 H 1 noname 0.0581 48 H11 17.8182 -19.6150 2.7044 H 1 noname 0.0337 49 H12 18.0402 -18.2589 1.5963 H 1 noname 0.0337 50 H13 21.5582 -17.9608 3.9305 H 1 noname 0.0536 51 H14 21.2082 -16.3238 4.5416 H 1 noname 0.0536 52 H15 21.7643 -16.5508 2.8695 H 1 noname 0.0536 53 H16 16.3130 -17.9348 0.0433 H 1 noname 0.0626 54 H17 15.3490 -19.7939 3.6925 H 1 noname 0.0626 55 H18 14.0398 -18.2488 -0.7135 H 1 noname 0.0650 56 H19 13.0778 -20.1068 2.9296 H 1 noname 0.0650 57 H20 11.5137 -19.8227 1.2536 H 1 noname 0.2181 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 38 1 6 4 6 2 7 4 39 1 8 5 7 1 9 5 8 2 10 6 9 1 11 6 8 1 12 8 40 1 13 9 10 2 14 9 11 1 15 10 12 1 16 10 41 1 17 11 13 2 18 11 42 1 19 12 14 1 20 12 15 2 21 13 14 1 22 13 43 1 23 14 16 2 24 15 17 1 25 15 18 1 26 16 19 1 27 17 20 2 28 17 21 1 29 18 19 2 30 18 44 1 31 19 22 1 32 21 45 1 33 22 23 2 34 22 24 1 35 24 25 1 36 24 46 1 37 25 26 1 38 25 27 1 39 25 47 1 40 26 28 2 41 26 29 1 42 27 30 1 43 27 48 1 44 27 49 1 45 29 31 1 46 30 32 2 47 30 33 1 48 31 50 1 49 31 51 1 50 31 52 1 51 32 34 1 52 32 53 1 53 33 35 2 54 33 54 1 55 34 36 2 56 34 55 1 57 35 36 1 58 35 56 1 59 36 37 1 60 37 57 1 @SUBSTRUCTURE 1 noname 1