@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444257 62 63 1 SMALL USER_CHARGES @ATOM 1 O1 18.3078 -11.9063 3.8976 O.2 1 noname -0.2910 2 C1 17.8897 -11.1243 3.0117 C.2 1 noname 0.0249 3 N1 18.4677 -9.8742 2.9867 N.3 1 noname -0.0667 4 C2 16.8827 -11.6202 2.1377 C.2 1 noname 0.0006 5 C3 18.5767 -9.0602 1.8068 C.3 1 noname 0.0058 6 C4 19.1186 -9.4012 4.1698 C.3 1 noname -0.0054 7 C5 15.9147 -10.8172 1.4898 C.2 1 noname 0.0743 8 C6 16.7617 -13.0092 1.9228 C.2 1 noname 0.0462 9 C7 20.0426 -8.8131 1.4029 C.3 1 noname -0.0402 10 N2 15.0096 -11.3811 0.6548 N.2 1 noname -0.2377 11 N3 15.8036 -9.4932 1.7468 N.3 1 noname -0.0934 12 N4 15.8326 -13.5132 1.0768 N.2 1 noname -0.2609 13 C8 20.7766 -10.1361 1.1319 C.3 1 noname -0.0549 14 C9 14.9626 -12.7121 0.4269 C.2 1 noname 0.0930 15 C10 14.8716 -8.6281 1.1129 C.3 1 noname 0.0129 16 C11 22.2155 -9.8680 0.6769 C.3 1 noname -0.0653 17 N5 14.0585 -13.2520 -0.4110 N.3 1 noname -0.0674 18 C12 15.2435 -8.4091 -0.3680 C.3 1 noname -0.0349 19 C13 14.8856 -7.2791 1.8529 C.3 1 noname -0.0349 20 C14 13.1055 -12.4709 -1.1139 C.3 1 noname 0.0029 21 C15 14.2725 -7.4181 -1.0279 C.3 1 noname -0.0255 22 C16 13.9085 -6.2921 1.1960 C.3 1 noname -0.0255 23 C17 12.2215 -13.3859 -1.9719 C.3 1 noname -0.0404 24 C18 14.2795 -6.0780 -0.2788 C.3 1 noname 0.0542 25 C19 11.1794 -12.5568 -2.7378 C.3 1 noname -0.0549 26 O2 13.3384 -5.1990 -0.8788 O.3 1 noname -0.3930 27 C20 10.2954 -13.4668 -3.5998 C.3 1 noname -0.0653 28 H1 18.1076 -9.5241 0.9399 H 1 noname 0.0435 29 H2 18.0976 -8.0972 1.9898 H 1 noname 0.0435 30 H3 19.4496 -8.3692 4.0528 H 1 noname 0.0399 31 H4 18.4246 -9.4382 5.0118 H 1 noname 0.0399 32 H5 19.9846 -10.0262 4.3928 H 1 noname 0.0399 33 H6 17.3996 -13.6591 2.3848 H 1 noname 0.0849 34 H7 20.0516 -8.2101 0.4949 H 1 noname 0.0279 35 H8 20.5636 -8.2641 2.1869 H 1 noname 0.0279 36 H9 16.3895 -9.1101 2.4169 H 1 noname 0.1299 37 H10 20.7995 -10.7360 2.0420 H 1 noname 0.0264 38 H11 20.2515 -10.6900 0.3520 H 1 noname 0.0264 39 H12 13.8665 -9.0511 1.1799 H 1 noname 0.0468 40 H13 22.7205 -10.8170 0.4940 H 1 noname 0.0230 41 H14 22.2095 -9.2810 -0.2419 H 1 noname 0.0230 42 H15 22.7515 -9.3210 1.4540 H 1 noname 0.0230 43 H16 14.0625 -14.2129 -0.5349 H 1 noname 0.1312 44 H17 16.2595 -8.0171 -0.4339 H 1 noname 0.0283 45 H18 15.1955 -9.3551 -0.9069 H 1 noname 0.0283 46 H19 15.8915 -6.8571 1.8309 H 1 noname 0.0283 47 H20 14.5885 -7.4331 2.8910 H 1 noname 0.0283 48 H21 13.6184 -11.7559 -1.7599 H 1 noname 0.0433 49 H22 12.4775 -11.9289 -0.4039 H 1 noname 0.0433 50 H23 14.5745 -7.2540 -2.0628 H 1 noname 0.0293 51 H24 13.2654 -7.8370 -1.0148 H 1 noname 0.0293 52 H25 13.9515 -5.3391 1.7230 H 1 noname 0.0293 53 H26 12.8945 -6.6891 1.2620 H 1 noname 0.0293 54 H27 11.7084 -14.1008 -1.3268 H 1 noname 0.0279 55 H28 12.8464 -13.9278 -2.6828 H 1 noname 0.0279 56 H29 15.2734 -5.6320 -0.3428 H 1 noname 0.0600 57 H30 11.6884 -11.8398 -3.3828 H 1 noname 0.0264 58 H31 10.5514 -12.0168 -2.0288 H 1 noname 0.0264 59 H32 13.2923 -4.3129 -0.4637 H 1 noname 0.2104 60 H33 9.7724 -14.1827 -2.9648 H 1 noname 0.0230 61 H34 10.9114 -14.0037 -4.3207 H 1 noname 0.0230 62 H35 9.5634 -12.8607 -4.1347 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 5 28 1 10 5 29 1 11 6 30 1 12 6 31 1 13 6 32 1 14 7 10 1 15 7 11 1 16 8 12 2 17 8 33 1 18 9 13 1 19 9 34 1 20 9 35 1 21 10 14 2 22 11 15 1 23 11 36 1 24 12 14 1 25 13 16 1 26 13 37 1 27 13 38 1 28 14 17 1 29 15 18 1 30 15 19 1 31 15 39 1 32 16 40 1 33 16 41 1 34 16 42 1 35 17 20 1 36 17 43 1 37 18 21 1 38 18 44 1 39 18 45 1 40 19 22 1 41 19 46 1 42 19 47 1 43 20 23 1 44 20 48 1 45 20 49 1 46 21 24 1 47 21 50 1 48 21 51 1 49 22 24 1 50 22 52 1 51 22 53 1 52 23 25 1 53 23 54 1 54 23 55 1 55 24 26 1 56 24 56 1 57 25 27 1 58 25 57 1 59 25 58 1 60 26 59 1 61 27 60 1 62 27 61 1 63 27 62 1 @SUBSTRUCTURE 1 noname 1