@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439051 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 5.8041 -8.2736 3.1630 Cl 1 noname -0.0749 2 C1 6.5851 -8.7156 1.7199 C.2 1 noname 0.0188 3 C2 7.6101 -9.6955 1.6569 C.2 1 noname 0.0296 4 C3 6.1621 -8.0735 0.5389 C.2 1 noname -0.0044 5 C4 8.1011 -10.3725 2.7931 C.2 1 noname 0.0959 6 C5 8.1771 -10.0125 0.4029 C.2 1 noname 0.0249 7 C6 6.7441 -8.3965 -0.6971 C.2 1 noname -0.0008 8 O1 8.0851 -11.6246 2.7881 O.2 1 noname -0.2753 9 N1 8.6071 -9.6385 3.8222 N.3 1 noname -0.1356 10 C7 7.7581 -9.3714 -0.7740 C.2 1 noname 0.0172 11 C8 9.1521 -10.0544 5.0013 C.2 1 noname -0.0021 12 O2 8.3720 -9.7394 -1.9370 O.3 1 noname -0.2763 13 C9 9.5911 -9.0323 5.8644 C.2 1 noname -0.0020 14 C10 9.3071 -11.3985 5.4123 C.2 1 noname -0.0020 15 C11 8.0659 -9.1323 -3.1950 C.3 1 noname 0.0423 16 C12 10.1710 -9.3603 7.0995 C.2 1 noname 0.0044 17 C13 9.8931 -11.6784 6.6564 C.2 1 noname 0.0044 18 N2 10.3030 -10.6614 7.4535 N.2 1 noname -0.2555 19 H1 5.4250 -7.3664 0.5669 H 1 noname 0.0639 20 H2 8.9141 -10.7185 0.3390 H 1 noname 0.0658 21 H3 6.4230 -7.9184 -1.5391 H 1 noname 0.0650 22 H4 8.5730 -8.6774 3.6952 H 1 noname 0.1374 23 H5 9.4920 -8.0512 5.5984 H 1 noname 0.0655 24 H6 9.0050 -12.1734 4.8254 H 1 noname 0.0655 25 H7 8.6859 -9.5893 -3.9661 H 1 noname 0.0535 26 H8 7.0158 -9.2913 -3.4470 H 1 noname 0.0535 27 H9 8.2779 -8.0622 -3.1610 H 1 noname 0.0535 28 H10 10.4920 -8.6232 7.7275 H 1 noname 0.0839 29 H11 10.0110 -12.6454 6.9615 H 1 noname 0.0839 @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 19 1 8 5 8 2 9 5 9 1 10 6 10 2 11 6 20 1 12 7 10 1 13 7 21 1 14 9 11 1 15 9 22 1 16 10 12 1 17 11 13 2 18 11 14 1 19 12 15 1 20 13 16 1 21 13 23 1 22 14 17 2 23 14 24 1 24 15 25 1 25 15 26 1 26 15 27 1 27 16 18 2 28 16 28 1 29 17 18 1 30 17 29 1 @SUBSTRUCTURE 1 noname 1