@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443650 42 46 1 SMALL USER_CHARGES @ATOM 1 O1 21.9239 -24.3310 0.3509 O.3 1 noname -0.3196 2 C1 23.2358 -24.0650 0.1880 C.2 1 noname 0.1563 3 C2 21.3439 -23.1141 0.4320 C.2 1 noname 0.1130 4 N1 23.4338 -22.7410 0.1690 N.2 1 noname -0.1357 5 N2 24.2267 -24.9689 0.0620 N.3 1 noname -0.0404 6 N3 22.2868 -22.1641 0.3180 N.2 1 noname -0.1261 7 C3 19.9750 -22.8630 0.6090 C.2 1 noname 0.0057 8 C4 24.0217 -26.3758 0.0991 C.3 1 noname 0.0427 9 C5 18.9310 -23.7790 0.7180 C.2 1 noname 0.0020 10 C6 19.3760 -21.6050 0.7140 C.2 1 noname -0.0618 11 C7 25.3006 -27.0637 -0.1878 C.2 1 noname -0.0471 12 C8 23.4777 -26.8257 1.4710 C.3 1 noname -0.0213 13 C9 17.7540 -23.0539 0.8860 C.2 1 noname 0.0650 14 C10 18.8809 -25.1819 0.6841 C.2 1 noname -0.0246 15 N4 18.0490 -21.7470 0.8800 N.3 1 noname -0.0016 16 C11 25.4145 -27.9236 -1.3007 C.2 1 noname -0.0521 17 C12 26.4215 -26.8797 0.6491 C.2 1 noname -0.0521 18 C13 22.0107 -27.2357 1.6261 C.3 1 noname -0.0483 19 C14 23.1126 -28.2886 1.7460 C.3 1 noname -0.0483 20 N5 16.5570 -23.6729 1.0231 N.2 1 noname -0.2522 21 C15 17.6319 -25.8158 0.8271 C.2 1 noname -0.0520 22 C16 26.6234 -28.5866 -1.5706 C.2 1 noname -0.0592 23 C17 27.6324 -27.5406 0.3792 C.2 1 noname -0.0592 24 C18 16.4719 -25.0307 0.9981 C.2 1 noname -0.0029 25 C19 27.7323 -28.3945 -0.7306 C.2 1 noname -0.0613 26 H1 25.1286 -24.6359 -0.0668 H 1 noname 0.1324 27 H2 23.2847 -26.6378 -0.6637 H 1 noname 0.0523 28 H3 19.8669 -20.7111 0.6751 H 1 noname 0.0797 29 H4 23.9696 -26.2678 2.2690 H 1 noname 0.0322 30 H5 19.7278 -25.7338 0.5561 H 1 noname 0.0630 31 H6 17.4090 -21.0250 0.9791 H 1 noname 0.1537 32 H7 24.6135 -28.0706 -1.9166 H 1 noname 0.0626 33 H8 26.3565 -26.2627 1.4591 H 1 noname 0.0626 34 H9 21.4477 -26.9237 2.5061 H 1 noname 0.0270 35 H10 21.3507 -27.2647 0.7602 H 1 noname 0.0270 36 H11 23.3386 -28.7326 2.7151 H 1 noname 0.0270 37 H12 23.2366 -29.0406 0.9661 H 1 noname 0.0270 38 H13 17.5659 -26.8337 0.8062 H 1 noname 0.0639 39 H14 26.6953 -29.2085 -2.3765 H 1 noname 0.0622 40 H15 28.4373 -27.4006 0.9892 H 1 noname 0.0622 41 H16 15.5639 -25.4836 1.1022 H 1 noname 0.0839 42 H17 28.6102 -28.8764 -0.9266 H 1 noname 0.0622 @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 1 9 5 26 1 10 7 9 1 11 7 10 2 12 8 11 1 13 8 12 1 14 8 27 1 15 9 13 2 16 9 14 1 17 10 15 1 18 10 28 1 19 11 16 2 20 11 17 1 21 12 18 1 22 12 19 1 23 12 29 1 24 13 20 1 25 13 15 1 26 14 21 2 27 14 30 1 28 15 31 1 29 16 22 1 30 16 32 1 31 17 23 2 32 17 33 1 33 18 19 1 34 18 34 1 35 18 35 1 36 19 36 1 37 19 37 1 38 20 24 2 39 21 24 1 40 21 38 1 41 22 25 2 42 22 39 1 43 23 25 1 44 23 40 1 45 24 41 1 46 25 42 1 @SUBSTRUCTURE 1 noname 1