@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443502 51 55 1 SMALL USER_CHARGES @ATOM 1 Cl1 18.6914 -15.1790 4.0841 Cl 1 noname -0.0591 2 C1 19.4933 -13.6900 4.1542 C.2 1 noname 0.0479 3 C2 18.8643 -12.4990 3.7212 C.2 1 noname 0.0524 4 C3 20.8172 -13.6360 4.6482 C.2 1 noname 0.0195 5 O1 17.5763 -12.5130 3.2582 O.3 1 noname -0.1893 6 C4 19.5952 -11.3030 3.8283 C.2 1 noname 0.0608 7 N1 21.4822 -12.4510 4.7222 N.2 1 noname -0.2147 8 C5 17.1803 -11.9519 2.0743 C.2 1 noname 0.0253 9 N2 19.2882 -10.0370 3.5353 N.3 1 noname -0.0041 10 C6 20.8891 -11.3020 4.3253 C.2 1 noname 0.0863 11 C7 17.9882 -11.9189 0.9194 C.2 1 noname -0.0069 12 C8 15.8792 -11.4259 2.0104 C.2 1 noname -0.0069 13 C9 20.3571 -9.2719 3.8333 C.2 1 noname -0.0080 14 N3 21.3511 -10.0439 4.3213 N.2 1 noname -0.1813 15 C10 17.5032 -11.3569 -0.2734 C.2 1 noname 0.0004 16 C11 15.3932 -10.8619 0.8195 C.2 1 noname 0.0004 17 C12 20.4070 -7.8780 3.6584 C.2 1 noname 0.0313 18 C13 16.1962 -10.8229 -0.3423 C.2 1 noname -0.0165 19 C14 21.4429 -6.9800 3.9205 C.2 1 noname 0.0389 20 C15 19.3780 -7.0859 3.1695 C.2 1 noname -0.0493 21 C16 15.6931 -10.2689 -1.5422 C.2 1 noname 0.0831 22 N4 21.0199 -5.7450 3.5985 N.2 1 noname -0.3207 23 C17 22.7858 -7.2339 4.4525 C.3 1 noname 0.0458 24 N5 19.8050 -5.8139 3.1575 N.3 1 noname -0.0282 25 O2 14.8061 -9.3849 -1.4812 O.2 1 noname -0.2778 26 N6 16.1781 -10.6878 -2.7442 N.3 1 noname -0.1323 27 C18 19.0579 -4.6859 2.7355 C.3 1 noname -0.0372 28 C19 15.8010 -10.2588 -3.9780 C.2 1 noname 0.0122 29 C20 14.4800 -9.9018 -4.3260 C.2 1 noname 0.0207 30 C21 16.7790 -10.2138 -4.9890 C.2 1 noname -0.0172 31 N7 14.1890 -9.5167 -5.5939 N.2 1 noname -0.2477 32 C22 16.4499 -9.8087 -6.2919 C.2 1 noname -0.0198 33 C23 15.1219 -9.4567 -6.5758 C.2 1 noname -0.0053 34 H1 21.2892 -14.4879 4.9572 H 1 noname 0.0857 35 H2 18.4451 -9.7269 3.1694 H 1 noname 0.1545 36 H3 18.9301 -12.3108 0.9424 H 1 noname 0.0650 37 H4 15.2802 -11.4529 2.8374 H 1 noname 0.0650 38 H5 18.1121 -11.3429 -1.0933 H 1 noname 0.0631 39 H6 14.4432 -10.4879 0.8015 H 1 noname 0.0631 40 H7 18.4550 -7.4099 2.8755 H 1 noname 0.0816 41 H8 22.9558 -8.2918 4.6405 H 1 noname 0.0296 42 H9 23.5267 -6.8819 3.7346 H 1 noname 0.0296 43 H10 22.9078 -6.6859 5.3865 H 1 noname 0.0296 44 H11 16.8920 -11.3428 -2.7171 H 1 noname 0.1375 45 H12 18.0609 -4.9768 2.3986 H 1 noname 0.0453 46 H13 18.9619 -3.9869 3.5666 H 1 noname 0.0453 47 H14 19.5808 -4.1949 1.9146 H 1 noname 0.0453 48 H15 13.7330 -9.9397 -3.6320 H 1 noname 0.0856 49 H16 17.7429 -10.4757 -4.7769 H 1 noname 0.0640 50 H17 17.1629 -9.7717 -7.0208 H 1 noname 0.0639 51 H18 14.8579 -9.1607 -7.5158 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 34 1 8 5 8 1 9 6 9 1 10 6 10 2 11 7 10 1 12 8 11 2 13 8 12 1 14 9 13 1 15 9 35 1 16 10 14 1 17 11 15 1 18 11 36 1 19 12 16 2 20 12 37 1 21 13 17 1 22 13 14 2 23 15 18 2 24 15 38 1 25 16 18 1 26 16 39 1 27 17 19 1 28 17 20 2 29 18 21 1 30 19 22 2 31 19 23 1 32 20 24 1 33 20 40 1 34 21 25 2 35 21 26 1 36 22 24 1 37 23 41 1 38 23 42 1 39 23 43 1 40 24 27 1 41 26 28 1 42 26 44 1 43 27 45 1 44 27 46 1 45 27 47 1 46 28 29 2 47 28 30 1 48 29 31 1 49 29 48 1 50 30 32 2 51 30 49 1 52 31 33 2 53 32 33 1 54 32 50 1 55 33 51 1 @SUBSTRUCTURE 1 noname 1