@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444128 58 62 1 SMALL USER_CHARGES @ATOM 1 O1 15.2811 -15.9064 3.2736 O.3 1 noname -0.3318 2 C1 14.3141 -15.0744 2.7977 C.2 1 noname 0.1187 3 C2 16.0541 -15.1544 4.0806 C.2 1 noname 0.0329 4 N1 14.4710 -13.8264 3.2927 N.2 1 noname -0.2112 5 C3 13.2950 -15.4803 1.9037 C.2 1 noname 0.0080 6 C4 15.5460 -13.8634 4.0887 C.2 1 noname 0.0413 7 C5 17.1900 -15.4933 4.8287 C.2 1 noname 0.0032 8 C6 12.2970 -14.6033 1.4198 C.2 1 noname 0.0683 9 C7 13.2510 -16.8183 1.4548 C.2 1 noname 0.0165 10 C8 16.1509 -12.8484 4.8437 C.2 1 noname -0.0016 11 C9 17.8099 -14.4833 5.5927 C.2 1 noname -0.0369 12 N2 11.3560 -15.0593 0.5618 N.2 1 noname -0.2529 13 N3 12.2140 -13.3083 1.7628 N.3 1 noname -0.1095 14 C10 12.2630 -17.2812 0.5568 C.2 1 noname -0.0273 15 C11 17.3018 -13.1633 5.6058 C.2 1 noname -0.0118 16 C12 11.3070 -16.3382 0.1239 C.2 1 noname 0.0295 17 C13 12.2319 -18.6291 0.1059 C.2 1 noname 0.0130 18 N4 17.9568 -12.2443 6.3568 N.3 1 noname -0.1427 19 C14 13.1009 -19.6691 0.4249 C.2 1 noname 0.0297 20 C15 11.3269 -19.2261 -0.7649 C.2 1 noname -0.0662 21 C16 17.5967 -10.8733 6.4548 C.3 1 noname -0.0003 22 N5 12.7228 -20.7850 -0.2179 N.2 1 noname -0.2932 23 N6 11.6678 -20.5160 -0.9229 N.3 1 noname -0.0213 24 C17 18.5797 -10.1292 7.3709 C.3 1 noname -0.0431 25 C18 10.9828 -21.4569 -1.7418 C.3 1 noname -0.0220 26 C19 19.9986 -10.1202 6.7849 C.3 1 noname -0.0642 27 C20 11.9197 -21.9969 -2.8367 C.3 1 noname -0.0199 28 C21 10.4617 -22.6289 -0.8928 C.3 1 noname -0.0199 29 C22 11.1917 -23.0628 -3.6697 C.3 1 noname -0.0030 30 C23 9.7857 -23.6698 -1.7977 C.3 1 noname -0.0030 31 N7 10.7356 -24.1628 -2.8066 N.3 1 noname -0.3165 32 H1 17.5579 -16.4443 4.8187 H 1 noname 0.0651 33 H2 13.9609 -17.4712 1.7918 H 1 noname 0.0638 34 H3 15.7639 -11.9053 4.8348 H 1 noname 0.0662 35 H4 18.6399 -14.7132 6.1408 H 1 noname 0.0640 36 H5 11.5059 -12.7593 1.3948 H 1 noname 0.1258 37 H6 12.8589 -12.9223 2.3758 H 1 noname 0.1258 38 H7 10.5650 -16.6022 -0.5250 H 1 noname 0.0846 39 H8 18.7347 -12.5402 6.8558 H 1 noname 0.1281 40 H9 13.9058 -19.6060 1.0480 H 1 noname 0.0863 41 H10 10.5328 -18.7691 -1.2149 H 1 noname 0.0816 42 H11 17.6117 -10.4102 5.4669 H 1 noname 0.0431 43 H12 16.5937 -10.7872 6.8769 H 1 noname 0.0431 44 H13 18.2416 -9.0982 7.4859 H 1 noname 0.0277 45 H14 18.5967 -10.6052 8.3519 H 1 noname 0.0277 46 H15 10.1288 -20.9799 -2.2278 H 1 noname 0.0527 47 H16 20.6585 -9.5542 7.4429 H 1 noname 0.0231 48 H17 20.3716 -11.1401 6.6950 H 1 noname 0.0231 49 H18 19.9876 -9.6512 5.8000 H 1 noname 0.0231 50 H19 12.8037 -22.4428 -2.3787 H 1 noname 0.0299 51 H20 12.2297 -21.1778 -3.4877 H 1 noname 0.0299 52 H21 11.2917 -23.0988 -0.3638 H 1 noname 0.0299 53 H22 9.7387 -22.2578 -0.1647 H 1 noname 0.0299 54 H23 10.3387 -22.6118 -4.1786 H 1 noname 0.0428 55 H24 11.8786 -23.4598 -4.4166 H 1 noname 0.0428 56 H25 9.4516 -24.5087 -1.1867 H 1 noname 0.0428 57 H26 8.9197 -23.2237 -2.2887 H 1 noname 0.0428 58 H27 10.2256 -24.8187 -3.4016 H 1 noname 0.1222 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 11 2 12 7 32 1 13 8 12 1 14 8 13 1 15 9 14 2 16 9 33 1 17 10 15 2 18 10 34 1 19 11 15 1 20 11 35 1 21 12 16 2 22 13 36 1 23 13 37 1 24 14 17 1 25 14 16 1 26 15 18 1 27 16 38 1 28 17 19 1 29 17 20 2 30 18 21 1 31 18 39 1 32 19 22 2 33 19 40 1 34 20 23 1 35 20 41 1 36 21 24 1 37 21 42 1 38 21 43 1 39 22 23 1 40 23 25 1 41 24 26 1 42 24 44 1 43 24 45 1 44 25 27 1 45 25 28 1 46 25 46 1 47 26 47 1 48 26 48 1 49 26 49 1 50 27 29 1 51 27 50 1 52 27 51 1 53 28 30 1 54 28 52 1 55 28 53 1 56 29 31 1 57 29 54 1 58 29 55 1 59 30 31 1 60 30 56 1 61 30 57 1 62 31 58 1 @SUBSTRUCTURE 1 noname 1