NAME RMC IO_STRING RMC Z TYPE LIGAND AA UNK ATOM N5 Nhis X -0.51 ATOM C25 CH1 X -0.07 ATOM C26 COO X 0.64 ATOM O5 ONH2 X -0.53 ATOM N6 Ntrp X -0.59 ATOM C34 CH1 X -0.07 ATOM C36 CH2 X -0.16 ATOM C37 CH3 X -0.25 ATOM H67 Hapo X 0.11 ATOM H68 Hapo X 0.11 ATOM H66 Hapo X 0.11 ATOM H64 Hapo X 0.11 ATOM H65 Hapo X 0.11 ATOM C35 COO X 0.64 ATOM O7 ONH2 X -0.53 ATOM N7 Nhis X -0.51 ATOM C38 CH2 X -0.16 ATOM C39 COO X 0.64 ATOM O8 ONH2 X -0.53 ATOM N8 Nhis X -0.51 ATOM C41 CH3 X -0.25 ATOM H86 Hapo X 0.11 ATOM H84 Hapo X 0.11 ATOM H85 Hapo X 0.11 ATOM C42 CH1 X -0.07 ATOM C47 COO X 0.64 ATOM O9 ONH2 X -0.53 ATOM N9 Ntrp X -0.59 ATOM C48 CH1 X -0.07 ATOM C50 CH1 X -0.07 ATOM C52 CH3 X -0.25 ATOM H94 Hapo X 0.11 ATOM H95 Hapo X 0.11 ATOM H93 Hapo X 0.11 ATOM C51 CH3 X -0.25 ATOM H92 Hapo X 0.11 ATOM H91 Hapo X 0.11 ATOM H90 Hapo X 0.11 ATOM H89 Hapo X 0.11 ATOM C49 COO X 0.64 ATOM O10 ONH2 X -0.53 ATOM N10 Nhis X -0.51 ATOM C53 CH3 X -0.25 ATOM H107 Hapo X 0.11 ATOM H106 Hapo X 0.11 ATOM H108 Hapo X 0.11 ATOM C54 CH1 X -0.07 ATOM C55 CH2 X -0.16 ATOM C56 CH1 X -0.07 ATOM C57 CH3 X -0.25 ATOM H102 Hapo X 0.11 ATOM H101 Hapo X 0.11 ATOM H100 Hapo X 0.11 ATOM C58 CH3 X -0.25 ATOM H104 Hapo X 0.11 ATOM H103 Hapo X 0.11 ATOM H105 Hapo X 0.11 ATOM H99 Hapo X 0.11 ATOM H98 Hapo X 0.11 ATOM H97 Hapo X 0.11 ATOM C59 COO X 0.64 ATOM O11 ONH2 X -0.53 ATOM N11 Ntrp X -0.59 ATOM C60 CH1 X -0.07 ATOM C61 COO X 0.64 ATOM N1 Ntrp X -0.59 ATOM C1 CH1 X -0.07 ATOM C3 COO X 0.64 ATOM O1 ONH2 X -0.53 ATOM N2 Nhis X -0.51 ATOM C5 CH1 X -0.07 ATOM C6 CH2 X -0.16 ATOM C7 CH1 X -0.07 ATOM C9 CH3 X -0.25 ATOM H13 Hapo X 0.11 ATOM H14 Hapo X 0.11 ATOM H15 Hapo X 0.11 ATOM C8 CH3 X -0.25 ATOM H10 Hapo X 0.11 ATOM H11 Hapo X 0.11 ATOM H12 Hapo X 0.11 ATOM H9 Hapo X 0.11 ATOM H7 Hapo X 0.11 ATOM H8 Hapo X 0.11 ATOM C10 COO X 0.64 ATOM O2 ONH2 X -0.53 ATOM N3 Nhis X -0.51 ATOM C12 CH1 X -0.07 ATOM C17 COO X 0.64 ATOM N4 Nhis X -0.51 ATOM C18 CH3 X -0.25 ATOM H42 Hapo X 0.11 ATOM H41 Hapo X 0.11 ATOM H40 Hapo X 0.11 ATOM C19 CH1 X -0.07 ATOM C23 COO X 0.64 ATOM O4 ONH2 X -0.53 ATOM C20 CH1 X -0.07 ATOM C21 CH3 X -0.25 ATOM H37 Hapo X 0.11 ATOM H38 Hapo X 0.11 ATOM H39 Hapo X 0.11 ATOM C22 CH3 X -0.25 ATOM H34 Hapo X 0.11 ATOM H35 Hapo X 0.11 ATOM H36 Hapo X 0.11 ATOM H33 Hapo X 0.11 ATOM H32 Hapo X 0.11 ATOM O3 ONH2 X -0.53 ATOM C13 CH2 X -0.16 ATOM C14 CH1 X -0.07 ATOM C16 CH3 X -0.25 ATOM H28 Hapo X 0.11 ATOM H26 Hapo X 0.11 ATOM H27 Hapo X 0.11 ATOM C15 CH3 X -0.25 ATOM H23 Hapo X 0.11 ATOM H24 Hapo X 0.11 ATOM H25 Hapo X 0.11 ATOM H22 Hapo X 0.11 ATOM H20 Hapo X 0.11 ATOM H21 Hapo X 0.11 ATOM H19 Hapo X 0.11 ATOM C11 CH3 X -0.25 ATOM H31 Hapo X 0.11 ATOM H29 Hapo X 0.11 ATOM H30 Hapo X 0.11 ATOM H6 Hapo X 0.11 ATOM C4 CH3 X -0.25 ATOM H17 Hapo X 0.11 ATOM H18 Hapo X 0.11 ATOM H16 Hapo X 0.11 ATOM C2 CH3 X -0.25 ATOM H4 Hapo X 0.11 ATOM H3 Hapo X 0.11 ATOM H5 Hapo X 0.11 ATOM H2 Hapo X 0.11 ATOM H1 Hpol X 0.45 ATOM O12 ONH2 X -0.53 ATOM C62 CH3 X -0.25 ATOM H111 Hapo X 0.11 ATOM H112 Hapo X 0.11 ATOM H113 Hapo X 0.11 ATOM H110 Hapo X 0.11 ATOM H109 Hpol X 0.45 ATOM H96 Hapo X 0.11 ATOM H88 Hapo X 0.11 ATOM H87 Hpol X 0.45 ATOM C43 CH2 X -0.16 ATOM C44 CH1 X -0.07 ATOM C45 CH3 X -0.25 ATOM H78 Hapo X 0.11 ATOM H79 Hapo X 0.11 ATOM H80 Hapo X 0.11 ATOM C46 CH3 X -0.25 ATOM H81 Hapo X 0.11 ATOM H83 Hapo X 0.11 ATOM H82 Hapo X 0.11 ATOM H77 Hapo X 0.11 ATOM H76 Hapo X 0.11 ATOM H75 Hapo X 0.11 ATOM H74 Hapo X 0.11 ATOM H70 Hapo X 0.11 ATOM H69 Hapo X 0.11 ATOM C40 CH3 X -0.25 ATOM H71 Hapo X 0.11 ATOM H72 Hapo X 0.11 ATOM H73 Hapo X 0.11 ATOM H63 Hapo X 0.11 ATOM H62 Hpol X 0.45 ATOM C27 CH1 X -0.07 ATOM O6 OH X -0.64 ATOM H46 Hpol X 0.45 ATOM C28 CH1 X -0.07 ATOM C29 CH3 X -0.25 ATOM H47 Hapo X 0.11 ATOM H49 Hapo X 0.11 ATOM H48 Hapo X 0.11 ATOM C30 CH2 X -0.16 ATOM C31 CH2 X -0.16 ATOM C32 CH2 X -0.16 ATOM C33 CH3 X -0.25 ATOM H58 Hapo X 0.11 ATOM H57 Hapo X 0.11 ATOM H56 Hapo X 0.11 ATOM H55 Hapo X 0.11 ATOM H54 Hapo X 0.11 ATOM H52 Hapo X 0.11 ATOM H53 Hapo X 0.11 ATOM H50 Hapo X 0.11 ATOM H51 Hapo X 0.11 ATOM H45 Hapo X 0.11 ATOM H44 Hapo X 0.11 ATOM H43 Hapo X 0.11 ATOM C24 CH3 X -0.25 ATOM H59 Hapo X 0.11 ATOM H61 Hapo X 0.11 ATOM H60 Hapo X 0.11 BOND_TYPE N1 C61 1 BOND_TYPE N1 C1 1 BOND_TYPE C1 H2 1 BOND_TYPE C1 C3 1 BOND_TYPE C2 H4 1 BOND_TYPE C2 H3 1 BOND_TYPE C2 C1 1 BOND_TYPE C3 O1 2 BOND_TYPE C3 N2 1 BOND_TYPE H1 N1 1 BOND_TYPE H5 C2 1 BOND_TYPE N2 C5 1 BOND_TYPE C4 N2 1 BOND_TYPE C4 H17 1 BOND_TYPE C4 H18 1 BOND_TYPE C5 H6 1 BOND_TYPE C5 C6 1 BOND_TYPE C5 C10 1 BOND_TYPE C6 H7 1 BOND_TYPE C7 C9 1 BOND_TYPE C7 C8 1 BOND_TYPE C7 C6 1 BOND_TYPE C8 H10 1 BOND_TYPE C9 H13 1 BOND_TYPE C10 O2 2 BOND_TYPE H8 C6 1 BOND_TYPE H9 C7 1 BOND_TYPE H11 C8 1 BOND_TYPE H12 C8 1 BOND_TYPE H14 C9 1 BOND_TYPE H15 C9 1 BOND_TYPE H16 C4 1 BOND_TYPE N3 C10 1 BOND_TYPE N3 C12 1 BOND_TYPE C11 H31 1 BOND_TYPE C11 N3 1 BOND_TYPE C12 H19 1 BOND_TYPE C12 C17 1 BOND_TYPE C13 H20 1 BOND_TYPE C13 C12 1 BOND_TYPE C14 C16 1 BOND_TYPE C14 C13 1 BOND_TYPE C15 C14 1 BOND_TYPE C15 H23 1 BOND_TYPE C16 H28 1 BOND_TYPE C16 H26 1 BOND_TYPE C17 N4 1 BOND_TYPE O3 C17 2 BOND_TYPE H21 C13 1 BOND_TYPE H22 C14 1 BOND_TYPE H24 C15 1 BOND_TYPE H25 C15 1 BOND_TYPE H27 C16 1 BOND_TYPE H29 C11 1 BOND_TYPE H30 C11 1 BOND_TYPE N4 C18 1 BOND_TYPE N4 C19 1 BOND_TYPE C18 H42 1 BOND_TYPE C18 H41 1 BOND_TYPE C19 H32 1 BOND_TYPE C19 C23 1 BOND_TYPE C19 C20 1 BOND_TYPE C20 H33 1 BOND_TYPE C20 C21 1 BOND_TYPE C21 H37 1 BOND_TYPE C21 H38 1 BOND_TYPE C22 C20 1 BOND_TYPE C22 H34 1 BOND_TYPE C23 O4 2 BOND_TYPE H35 C22 1 BOND_TYPE H36 C22 1 BOND_TYPE H39 C21 1 BOND_TYPE H40 C18 1 BOND_TYPE N5 C25 1 BOND_TYPE N5 C23 1 BOND_TYPE C24 H59 1 BOND_TYPE C24 H61 1 BOND_TYPE C24 N5 1 BOND_TYPE C25 C26 1 BOND_TYPE C25 H43 1 BOND_TYPE C26 O5 2 BOND_TYPE C26 N6 1 BOND_TYPE C27 H44 1 BOND_TYPE C27 C25 1 BOND_TYPE O6 C27 1 BOND_TYPE C28 H45 1 BOND_TYPE C28 C27 1 BOND_TYPE C28 C29 1 BOND_TYPE C29 H47 1 BOND_TYPE C29 H49 1 BOND_TYPE C30 C31 1 BOND_TYPE C30 C28 1 BOND_TYPE C31 H52 1 BOND_TYPE C31 H53 1 BOND_TYPE C32 C33 1 BOND_TYPE C32 C31 1 BOND_TYPE C32 H55 1 BOND_TYPE C33 H58 1 BOND_TYPE C33 H57 1 BOND_TYPE H46 O6 1 BOND_TYPE H48 C29 1 BOND_TYPE H50 C30 1 BOND_TYPE H51 C30 1 BOND_TYPE H54 C32 1 BOND_TYPE H56 C33 1 BOND_TYPE H60 C24 1 BOND_TYPE N6 C34 1 BOND_TYPE C34 H63 1 BOND_TYPE C34 C36 1 BOND_TYPE C35 O7 2 BOND_TYPE C35 C34 1 BOND_TYPE C36 H64 1 BOND_TYPE C36 C37 1 BOND_TYPE C37 H67 1 BOND_TYPE C37 H68 1 BOND_TYPE H62 N6 1 BOND_TYPE H65 C36 1 BOND_TYPE H66 C37 1 BOND_TYPE N7 C35 1 BOND_TYPE C38 H70 1 BOND_TYPE C38 H69 1 BOND_TYPE C38 N7 1 BOND_TYPE C39 C38 1 BOND_TYPE O8 C39 2 BOND_TYPE C40 N7 1 BOND_TYPE C40 H71 1 BOND_TYPE H72 C40 1 BOND_TYPE H73 C40 1 BOND_TYPE N8 C39 1 BOND_TYPE N8 C41 1 BOND_TYPE C41 H86 1 BOND_TYPE C41 H84 1 BOND_TYPE C42 H74 1 BOND_TYPE C42 C47 1 BOND_TYPE C42 N8 1 BOND_TYPE C43 H76 1 BOND_TYPE C43 H75 1 BOND_TYPE C43 C42 1 BOND_TYPE C44 C43 1 BOND_TYPE C45 H78 1 BOND_TYPE C45 H79 1 BOND_TYPE C45 C44 1 BOND_TYPE C46 H81 1 BOND_TYPE C46 H83 1 BOND_TYPE C46 C44 1 BOND_TYPE C47 O9 2 BOND_TYPE H77 C44 1 BOND_TYPE H80 C45 1 BOND_TYPE H82 C46 1 BOND_TYPE H85 C41 1 BOND_TYPE N9 C48 1 BOND_TYPE N9 C47 1 BOND_TYPE C48 C50 1 BOND_TYPE C48 H88 1 BOND_TYPE C49 C48 1 BOND_TYPE O10 C49 2 BOND_TYPE C50 C52 1 BOND_TYPE C51 C50 1 BOND_TYPE C51 H92 1 BOND_TYPE C51 H91 1 BOND_TYPE C52 H94 1 BOND_TYPE C52 H95 1 BOND_TYPE C52 H93 1 BOND_TYPE H87 N9 1 BOND_TYPE H89 C50 1 BOND_TYPE H90 C51 1 BOND_TYPE N10 C49 1 BOND_TYPE N10 C53 1 BOND_TYPE C53 H107 1 BOND_TYPE C53 H106 1 BOND_TYPE C54 H96 1 BOND_TYPE C54 C55 1 BOND_TYPE C54 N10 1 BOND_TYPE C55 C56 1 BOND_TYPE C55 H98 1 BOND_TYPE C56 C57 1 BOND_TYPE C56 H99 1 BOND_TYPE C57 H102 1 BOND_TYPE C57 H101 1 BOND_TYPE C58 H104 1 BOND_TYPE C58 C56 1 BOND_TYPE C59 C54 1 BOND_TYPE C59 O11 2 BOND_TYPE H97 C55 1 BOND_TYPE H100 C57 1 BOND_TYPE H103 C58 1 BOND_TYPE H105 C58 1 BOND_TYPE H108 C53 1 BOND_TYPE N11 C59 1 BOND_TYPE C60 H110 1 BOND_TYPE C60 N11 1 BOND_TYPE C60 C61 1 BOND_TYPE C61 O12 2 BOND_TYPE C62 C60 1 BOND_TYPE H109 N11 1 BOND_TYPE H111 C62 1 BOND_TYPE H112 C62 1 BOND_TYPE H113 C62 1 CHI 1 C25 C27 O6 H46 PROTON_CHI 1 SAMPLES 3 60 -60 180 EXTRA 1 20 CHI 2 N2 C5 C6 C7 CHI 3 C5 C6 C7 C9 CHI 4 N3 C12 C13 C14 CHI 5 C12 C13 C14 C16 CHI 6 N4 C19 C20 C21 CHI 7 N5 C25 C27 O6 CHI 8 C25 C27 C28 C29 CHI 9 C28 C30 C31 C32 CHI 10 C27 C28 C30 C31 CHI 11 C30 C31 C32 C33 CHI 12 N6 C34 C36 C37 CHI 13 N8 C42 C43 C44 CHI 14 C42 C43 C44 C45 CHI 15 N9 C48 C50 C52 CHI 16 N10 C54 C55 C56 CHI 17 C54 C55 C56 C57 NBR_ATOM N5 NBR_RADIUS 13.491929 ICOOR_INTERNAL N5 0.000000 0.000000 0.000000 N5 C25 C26 ICOOR_INTERNAL C25 0.000000 179.999999 1.458413 N5 C25 C26 ICOOR_INTERNAL C26 0.000000 66.760078 1.529616 C25 N5 C26 ICOOR_INTERNAL O5 -6.473245 55.654619 1.247422 C26 C25 N5 ICOOR_INTERNAL N6 175.119215 67.275402 1.321904 C26 C25 O5 ICOOR_INTERNAL C34 -174.376299 58.988004 1.443277 N6 C26 C25 ICOOR_INTERNAL C36 120.224343 72.048054 1.519542 C34 N6 C26 ICOOR_INTERNAL C37 -61.208604 64.973259 1.533518 C36 C34 N6 ICOOR_INTERNAL H67 -59.129757 70.540742 1.082816 C37 C36 C34 ICOOR_INTERNAL H68 -120.096182 70.594748 1.083795 C37 C36 H67 ICOOR_INTERNAL H66 -119.920868 70.570938 1.084651 C37 C36 H68 ICOOR_INTERNAL H64 -120.795311 71.943347 1.084043 C36 C34 C37 ICOOR_INTERNAL H65 -118.359501 71.947338 1.083859 C36 C34 H64 ICOOR_INTERNAL C35 121.425928 70.733942 1.518653 C34 N6 C36 ICOOR_INTERNAL O7 -91.796336 60.095297 1.224868 C35 C34 N6 ICOOR_INTERNAL N7 176.126680 59.000105 1.328073 C35 C34 O7 ICOOR_INTERNAL C38 -178.396875 58.049524 1.455262 N7 C35 C34 ICOOR_INTERNAL C39 132.176102 68.014129 1.514282 C38 N7 C35 ICOOR_INTERNAL O8 102.356451 62.604668 1.225948 C39 C38 N7 ICOOR_INTERNAL N8 -178.631944 57.238967 1.331483 C39 C38 O8 ICOOR_INTERNAL C41 -0.107427 59.186803 1.489944 N8 C39 C38 ICOOR_INTERNAL H86 115.743961 70.503035 1.083707 C41 N8 C39 ICOOR_INTERNAL H84 -119.994689 70.559284 1.083533 C41 N8 H86 ICOOR_INTERNAL H85 -119.999786 70.540393 1.084609 C41 N8 H84 ICOOR_INTERNAL C42 175.840923 61.547402 1.449533 N8 C39 C41 ICOOR_INTERNAL C47 -105.023841 72.357048 1.513839 C42 N8 C39 ICOOR_INTERNAL O9 -80.569217 58.858015 1.230721 C47 C42 N8 ICOOR_INTERNAL N9 176.454566 63.813105 1.322054 C47 C42 O9 ICOOR_INTERNAL C48 -179.245071 59.008264 1.450132 N9 C47 C42 ICOOR_INTERNAL C50 165.585740 71.193493 1.535625 C48 N9 C47 ICOOR_INTERNAL C52 -70.452331 72.766176 1.513533 C50 C48 N9 ICOOR_INTERNAL H94 59.036591 70.490666 1.083856 C52 C50 C48 ICOOR_INTERNAL H95 120.057648 70.506067 1.083396 C52 C50 H94 ICOOR_INTERNAL H93 120.002270 70.550319 1.084618 C52 C50 H95 ICOOR_INTERNAL C51 -117.289687 66.831586 1.513030 C50 C48 C52 ICOOR_INTERNAL H92 -179.196781 70.528555 1.085098 C51 C50 C48 ICOOR_INTERNAL H91 -120.000651 70.507521 1.084149 C51 C50 H92 ICOOR_INTERNAL H90 -120.032178 70.456409 1.083694 C51 C50 H91 ICOOR_INTERNAL H89 -119.560435 72.371014 1.084897 C50 C48 C51 ICOOR_INTERNAL C49 122.532445 70.418711 1.519455 C48 N9 C50 ICOOR_INTERNAL O10 -49.865638 62.602714 1.229210 C49 C48 N9 ICOOR_INTERNAL N10 179.531250 58.639094 1.342533 C49 C48 O10 ICOOR_INTERNAL C53 9.998364 59.555431 1.498037 N10 C49 C48 ICOOR_INTERNAL H107 -127.365551 70.517355 1.085041 C53 N10 C49 ICOOR_INTERNAL H106 120.052044 70.514600 1.083744 C53 N10 H107 ICOOR_INTERNAL H108 119.991198 70.489550 1.084370 C53 N10 H106 ICOOR_INTERNAL C54 172.638290 60.399398 1.454045 N10 C49 C53 ICOOR_INTERNAL C55 128.144060 73.542657 1.528125 C54 N10 C49 ICOOR_INTERNAL C56 -55.803699 62.283014 1.531535 C55 C54 N10 ICOOR_INTERNAL C57 174.132281 70.071922 1.495530 C56 C55 C54 ICOOR_INTERNAL H102 -179.693789 70.478976 1.084600 C57 C56 C55 ICOOR_INTERNAL H101 120.055749 70.525649 1.084451 C57 C56 H102 ICOOR_INTERNAL H100 119.979866 70.553257 1.084364 C57 C56 H101 ICOOR_INTERNAL C58 124.034130 70.357057 1.509138 C56 C55 C57 ICOOR_INTERNAL H104 179.702908 70.514388 1.084054 C58 C56 C55 ICOOR_INTERNAL H103 119.955073 70.537712 1.085247 C58 C56 H104 ICOOR_INTERNAL H105 120.018750 70.503767 1.084518 C58 C56 H103 ICOOR_INTERNAL H99 118.118823 69.906937 1.083944 C56 C55 C58 ICOOR_INTERNAL H98 121.199267 72.614180 1.083441 C55 C54 C56 ICOOR_INTERNAL H97 117.624092 72.643607 1.084182 C55 C54 H98 ICOOR_INTERNAL C59 124.760334 67.169453 1.515096 C54 N10 C55 ICOOR_INTERNAL O11 -0.716058 57.448800 1.223636 C59 C54 N10 ICOOR_INTERNAL N11 177.602393 62.514808 1.322698 C59 C54 O11 ICOOR_INTERNAL C60 -177.905542 59.249622 1.450472 N11 C59 C54 ICOOR_INTERNAL C61 -69.312524 66.290193 1.513989 C60 N11 C59 ICOOR_INTERNAL N1 159.930485 65.507513 1.312821 C61 C60 N11 ICOOR_INTERNAL C1 173.838517 59.291217 1.435338 N1 C61 C60 ICOOR_INTERNAL C3 86.916961 72.312468 1.504066 C1 N1 C61 ICOOR_INTERNAL O1 42.579876 61.809475 1.230881 C3 C1 N1 ICOOR_INTERNAL N2 -178.821811 58.397274 1.333486 C3 C1 O1 ICOOR_INTERNAL C5 -175.389949 61.399994 1.456171 N2 C3 C1 ICOOR_INTERNAL C6 111.258044 74.357410 1.532067 C5 N2 C3 ICOOR_INTERNAL C7 -63.666377 59.570057 1.518458 C6 C5 N2 ICOOR_INTERNAL C9 -57.304472 66.714008 1.525986 C7 C6 C5 ICOOR_INTERNAL H13 -60.395557 70.550420 1.084511 C9 C7 C6 ICOOR_INTERNAL H14 -119.976066 70.491753 1.083448 C9 C7 H13 ICOOR_INTERNAL H15 -120.047099 70.549602 1.084203 C9 C7 H14 ICOOR_INTERNAL C8 -119.629673 73.716374 1.496314 C7 C6 C9 ICOOR_INTERNAL H10 60.344707 70.491934 1.083552 C8 C7 C6 ICOOR_INTERNAL H11 -119.947918 70.529684 1.085249 C8 C7 H10 ICOOR_INTERNAL H12 -119.953480 70.480705 1.083982 C8 C7 H11 ICOOR_INTERNAL H9 -122.322879 71.032476 1.084098 C7 C6 C8 ICOOR_INTERNAL H7 -121.625960 73.348053 1.082980 C6 C5 C7 ICOOR_INTERNAL H8 -116.881253 73.358721 1.084218 C6 C5 H7 ICOOR_INTERNAL C10 125.451310 64.667780 1.532395 C5 N2 C6 ICOOR_INTERNAL O2 -110.182552 59.096335 1.231895 C10 C5 N2 ICOOR_INTERNAL N3 179.606813 59.441808 1.332932 C10 C5 O2 ICOOR_INTERNAL C12 -179.470582 60.894489 1.447943 N3 C10 C5 ICOOR_INTERNAL C17 -104.885262 67.119496 1.522705 C12 N3 C10 ICOOR_INTERNAL N4 172.405931 58.025902 1.332139 C17 C12 N3 ICOOR_INTERNAL C18 -12.242949 58.187469 1.493888 N4 C17 C12 ICOOR_INTERNAL H42 124.653297 70.573943 1.083628 C18 N4 C17 ICOOR_INTERNAL H41 119.996077 70.554034 1.084777 C18 N4 H42 ICOOR_INTERNAL H40 119.988631 70.516830 1.083892 C18 N4 H41 ICOOR_INTERNAL C19 -175.462936 62.239310 1.450610 N4 C17 C18 ICOOR_INTERNAL C23 -126.580118 74.407001 1.525365 C19 N4 C17 ICOOR_INTERNAL O4 -89.875396 59.478052 1.236017 C23 C19 N4 ICOOR_INTERNAL C20 -121.720614 68.116211 1.564675 C19 N4 C23 ICOOR_INTERNAL C21 -167.991679 72.969192 1.514393 C20 C19 N4 ICOOR_INTERNAL H37 -58.780018 70.532357 1.085161 C21 C20 C19 ICOOR_INTERNAL H38 -120.052346 70.504661 1.083719 C21 C20 H37 ICOOR_INTERNAL H39 -119.978477 70.561242 1.083181 C21 C20 H38 ICOOR_INTERNAL C22 115.613585 66.154372 1.521224 C20 C19 C21 ICOOR_INTERNAL H34 179.127587 70.519574 1.084346 C22 C20 C19 ICOOR_INTERNAL H35 -120.054944 70.494576 1.084184 C22 C20 H34 ICOOR_INTERNAL H36 -119.942408 70.542152 1.084259 C22 C20 H35 ICOOR_INTERNAL H33 120.240596 73.091105 1.084342 C20 C19 C22 ICOOR_INTERNAL H32 -117.167272 68.768154 1.084407 C19 N4 C20 ICOOR_INTERNAL O3 -176.442107 59.437705 1.245029 C17 C12 N4 ICOOR_INTERNAL C13 -124.061794 73.834721 1.540527 C12 N3 C17 ICOOR_INTERNAL C14 -67.415156 61.706796 1.503693 C13 C12 N3 ICOOR_INTERNAL C16 -47.840826 69.907996 1.504392 C14 C13 C12 ICOOR_INTERNAL H28 59.846513 70.527385 1.084566 C16 C14 C13 ICOOR_INTERNAL H26 -119.921895 70.552739 1.084897 C16 C14 H28 ICOOR_INTERNAL H27 -120.068076 70.507264 1.083263 C16 C14 H26 ICOOR_INTERNAL C15 -119.272069 70.915795 1.505715 C14 C13 C16 ICOOR_INTERNAL H23 60.136198 70.573709 1.085092 C15 C14 C13 ICOOR_INTERNAL H24 -119.957451 70.541963 1.084403 C15 C14 H23 ICOOR_INTERNAL H25 -120.016915 70.505190 1.083567 C15 C14 H24 ICOOR_INTERNAL H22 -120.694460 70.882893 1.084556 C14 C13 C15 ICOOR_INTERNAL H20 -121.249854 72.752252 1.084119 C13 C12 C14 ICOOR_INTERNAL H21 -117.499080 72.809566 1.083952 C13 C12 H20 ICOOR_INTERNAL H19 -120.136937 69.328965 1.084021 C12 N3 C13 ICOOR_INTERNAL C11 -176.998491 58.555936 1.493851 N3 C10 C12 ICOOR_INTERNAL H31 116.969105 70.548824 1.083914 C11 N3 C10 ICOOR_INTERNAL H29 -119.993188 70.525381 1.085177 C11 N3 H31 ICOOR_INTERNAL H30 -119.974034 70.493903 1.083496 C11 N3 H29 ICOOR_INTERNAL H6 113.714723 70.576626 1.083267 C5 N2 C10 ICOOR_INTERNAL C4 -171.095088 59.726396 1.490410 N2 C3 C5 ICOOR_INTERNAL H17 -129.090982 70.560224 1.084063 C4 N2 C3 ICOOR_INTERNAL H18 -119.996238 70.538305 1.084476 C4 N2 H17 ICOOR_INTERNAL H16 -120.040492 70.477882 1.083882 C4 N2 H18 ICOOR_INTERNAL C2 118.278954 68.779689 1.522454 C1 N1 C3 ICOOR_INTERNAL H4 -59.900826 70.513083 1.083816 C2 C1 N1 ICOOR_INTERNAL H3 -120.053535 70.611980 1.084156 C2 C1 H4 ICOOR_INTERNAL H5 -119.994251 70.568623 1.083798 C2 C1 H3 ICOOR_INTERNAL H2 119.822800 70.963815 1.084437 C1 N1 C2 ICOOR_INTERNAL H1 168.621401 60.023139 0.967440 N1 C61 C1 ICOOR_INTERNAL O12 -179.499967 57.847341 1.229532 C61 C60 N1 ICOOR_INTERNAL C62 -120.151061 69.533490 1.516940 C60 N11 C61 ICOOR_INTERNAL H111 -56.775679 70.539023 1.084325 C62 C60 N11 ICOOR_INTERNAL H112 119.961060 70.564235 1.083944 C62 C60 H111 ICOOR_INTERNAL H113 120.022589 70.549810 1.083872 C62 C60 H112 ICOOR_INTERNAL H110 -121.001420 74.930536 1.084445 C60 N11 C62 ICOOR_INTERNAL H109 -174.654147 61.043104 0.968397 N11 C59 C60 ICOOR_INTERNAL H96 115.478204 69.321489 1.083966 C54 N10 C59 ICOOR_INTERNAL H88 118.502511 69.319660 1.083711 C48 N9 C49 ICOOR_INTERNAL H87 -173.597121 61.507544 0.971908 N9 C47 C48 ICOOR_INTERNAL C43 -121.789000 71.370499 1.529224 C42 N8 C47 ICOOR_INTERNAL C44 -177.850704 64.996481 1.528296 C43 C42 N8 ICOOR_INTERNAL C45 62.401041 69.853558 1.517958 C44 C43 C42 ICOOR_INTERNAL H78 60.580732 70.539764 1.084377 C45 C44 C43 ICOOR_INTERNAL H79 -120.086421 70.448082 1.084545 C45 C44 H78 ICOOR_INTERNAL H80 -119.925835 70.519339 1.084299 C45 C44 H79 ICOOR_INTERNAL C46 121.906534 70.387986 1.507605 C44 C43 C45 ICOOR_INTERNAL H81 -60.489553 70.491706 1.084244 C46 C44 C43 ICOOR_INTERNAL H83 120.009559 70.541010 1.085159 C46 C44 H81 ICOOR_INTERNAL H82 119.933919 70.551104 1.083955 C46 C44 H83 ICOOR_INTERNAL H77 119.236988 70.783809 1.084377 C44 C43 C46 ICOOR_INTERNAL H76 120.780666 71.890077 1.083990 C43 C42 C44 ICOOR_INTERNAL H75 118.386111 71.910602 1.083652 C43 C42 H76 ICOOR_INTERNAL H74 -118.807156 67.802909 1.084338 C42 N8 C43 ICOOR_INTERNAL H70 120.334999 71.128543 1.084611 C38 N7 C39 ICOOR_INTERNAL H69 119.242681 71.139881 1.082952 C38 N7 H70 ICOOR_INTERNAL C40 179.481254 55.939661 1.491252 N7 C35 C38 ICOOR_INTERNAL H71 0.473594 70.543561 1.084095 C40 N7 C35 ICOOR_INTERNAL H72 -120.005617 70.578525 1.084142 C40 N7 H71 ICOOR_INTERNAL H73 -119.964475 70.507764 1.083847 C40 N7 H72 ICOOR_INTERNAL H63 118.853441 68.669810 1.084543 C34 N6 C35 ICOOR_INTERNAL H62 177.395830 61.202937 0.974180 N6 C26 C34 ICOOR_INTERNAL C27 -124.967131 69.002936 1.568768 C25 N5 C26 ICOOR_INTERNAL O6 67.525130 70.036622 1.426487 C27 C25 N5 ICOOR_INTERNAL H46 173.959477 70.652553 0.967754 O6 C27 C25 ICOOR_INTERNAL C28 -123.663344 65.989341 1.559463 C27 C25 O6 ICOOR_INTERNAL C29 -44.878099 65.160563 1.532897 C28 C27 C25 ICOOR_INTERNAL H47 -69.190609 70.509028 1.083813 C29 C28 C27 ICOOR_INTERNAL H49 120.013356 70.552075 1.084095 C29 C28 H47 ICOOR_INTERNAL H48 119.949225 70.534259 1.084525 C29 C28 H49 ICOOR_INTERNAL C30 -131.013464 63.595151 1.524132 C28 C27 C29 ICOOR_INTERNAL C31 73.713185 64.275495 1.520482 C30 C28 C27 ICOOR_INTERNAL C32 -105.131345 59.318868 1.416441 C31 C30 C28 ICOOR_INTERNAL C33 179.558585 59.349626 1.514464 C32 C31 C30 ICOOR_INTERNAL H58 -143.882183 70.537547 1.084819 C33 C32 C31 ICOOR_INTERNAL H57 119.978342 70.511530 1.083471 C33 C32 H58 ICOOR_INTERNAL H56 120.034868 70.516409 1.084252 C33 C32 H57 ICOOR_INTERNAL H55 -90.580577 97.346380 1.083599 C32 C31 C33 ICOOR_INTERNAL H54 -95.521136 59.849403 1.073734 C32 C31 H55 ICOOR_INTERNAL H52 -175.802818 60.502437 1.076638 C31 C30 C32 ICOOR_INTERNAL H53 -92.277372 88.949275 1.084680 C31 C30 H52 ICOOR_INTERNAL H50 -120.968380 72.094933 1.083347 C30 C28 C31 ICOOR_INTERNAL H51 -118.185941 72.129844 1.084362 C30 C28 H50 ICOOR_INTERNAL H45 -113.613019 79.828781 1.084543 C28 C27 C30 ICOOR_INTERNAL H44 -116.610321 73.985793 1.083727 C27 C25 C28 ICOOR_INTERNAL H43 -118.370377 73.867918 1.084045 C25 N5 C27 ICOOR_INTERNAL C24 64.602203 59.302539 1.498566 N5 C25 C26 ICOOR_INTERNAL H59 179.953296 70.534839 1.084292 C24 N5 C25 ICOOR_INTERNAL H61 120.015311 70.563522 1.083466 C24 N5 H59 ICOOR_INTERNAL H60 119.971512 70.546250 1.084631 C24 N5 H61 PDB_ROTAMERS RMC_conformers.pdb