E64
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.34Å | 1.25Å | |
| C1 | O2 | sing | 1.21Å | 1.25Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| O2 | HO2 | sing | 7.13Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.61Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | doub | 1.21Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C11 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.12Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C10 | H103 | sing | 1.09Å | 1.11Å | |
| C11 | O5 | doub | 1.21Å | 1.24Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C12 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | N3 | sing | 1.46Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| N3 | C16 | sing | 1.38Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C16 | N4 | sing | 1.34Å | 1.33Å | |
| C16 | N5 | doub | 1.34Å | 1.33Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| N5 | HN51 | sing | 0.97Å | 1.02Å | |
| N5 | HN52 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 122.2° | 120.0° |
| O1 | C1 | C2 | 118.0° | 120.0° |
| O2 | C1 | C2 | 119.6° | 120.0° |
| C1 | O2 | HO2 | 122.2° | 53.0° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| C1 | C2 | H21 | 110.7° | 109.5° |
| C1 | C2 | H22 | 110.7° | 109.4° |
| C3 | C2 | H21 | 110.7° | 109.5° |
| C3 | C2 | H22 | 110.7° | 109.4° |
| C2 | C3 | O3 | 111.8° | 109.4° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C2 | C3 | H3 | 107.2° | 109.5° |
| H21 | C2 | H22 | 99.6° | 109.5° |
| O3 | C3 | C4 | 107.1° | 109.5° |
| O3 | C3 | H3 | 109.5° | 109.4° |
| C3 | O3 | HO3 | 111.8° | 106.8° |
| C4 | C3 | H3 | 111.9° | 109.5° |
| C3 | C4 | O4 | 121.3° | 120.0° |
| C3 | C4 | N1 | 115.1° | 120.0° |
| O4 | C4 | N1 | 123.5° | 120.0° |
| C4 | N1 | C6 | 123.1° | 120.0° |
| C4 | N1 | HN1 | 113.7° | 120.0° |
| C6 | N1 | HN1 | 123.2° | 120.0° |
| N1 | C6 | C7 | 111.9° | 109.5° |
| N1 | C6 | C11 | 107.6° | 109.5° |
| N1 | C6 | H6 | 108.7° | 109.4° |
| C7 | C6 | C11 | 108.1° | 109.5° |
| C7 | C6 | H6 | 108.1° | 109.5° |
| C6 | C7 | C8 | 119.2° | 109.5° |
| C6 | C7 | H71 | 108.8° | 109.4° |
| C6 | C7 | H72 | 108.7° | 109.5° |
| C11 | C6 | H6 | 112.5° | 109.5° |
| C6 | C11 | O5 | 120.4° | 120.0° |
| C6 | C11 | N2 | 113.5° | 120.0° |
| C8 | C7 | H71 | 108.7° | 109.5° |
| C8 | C7 | H72 | 108.7° | 109.4° |
| C7 | C8 | C9 | 108.3° | 109.4° |
| C7 | C8 | C10 | 109.6° | 109.4° |
| C7 | C8 | H8 | 111.0° | 109.5° |
| H71 | C7 | H72 | 101.3° | 109.5° |
| C9 | C8 | C10 | 112.0° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C8 | C9 | H91 | 108.4° | 109.5° |
| C8 | C9 | H92 | 112.6° | 109.4° |
| C8 | C9 | H93 | 112.7° | 109.5° |
| C10 | C8 | H8 | 107.3° | 109.5° |
| C8 | C10 | H101 | 109.6° | 109.5° |
| C8 | C10 | H102 | 112.1° | 109.5° |
| C8 | C10 | H103 | 112.2° | 109.4° |
| H91 | C9 | H92 | 112.6° | 109.5° |
| H91 | C9 | H93 | 112.6° | 109.5° |
| H92 | C9 | H93 | 97.8° | 109.5° |
| H101 | C10 | H102 | 112.1° | 109.5° |
| H101 | C10 | H103 | 112.2° | 109.5° |
| H102 | C10 | H103 | 98.3° | 109.4° |
| O5 | C11 | N2 | 126.1° | 120.0° |
| C11 | N2 | C12 | 129.9° | 120.0° |
| C11 | N2 | HN2 | 109.0° | 120.0° |
| C12 | N2 | HN2 | 121.0° | 120.0° |
| N2 | C12 | C13 | 115.9° | 109.5° |
| N2 | C12 | H121 | 109.9° | 109.5° |
| N2 | C12 | H122 | 109.8° | 109.5° |
| C13 | C12 | H121 | 109.9° | 109.4° |
| C13 | C12 | H122 | 109.9° | 109.5° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H131 | 111.4° | 109.4° |
| C12 | C13 | H132 | 111.4° | 109.5° |
| H121 | C12 | H122 | 100.4° | 109.5° |
| C14 | C13 | H131 | 111.4° | 109.5° |
| C14 | C13 | H132 | 111.4° | 109.5° |
| C13 | C14 | C15 | 113.9° | 109.4° |
| C13 | C14 | H141 | 110.6° | 109.5° |
| C13 | C14 | H142 | 110.6° | 109.5° |
| H131 | C13 | H132 | 99.0° | 109.5° |
| C15 | C14 | H141 | 110.6° | 109.5° |
| C15 | C14 | H142 | 110.6° | 109.5° |
| C14 | C15 | N3 | 114.2° | 109.5° |
| C14 | C15 | H151 | 110.4° | 109.5° |
| C14 | C15 | H152 | 110.4° | 109.4° |
| H141 | C14 | H142 | 99.7° | 109.5° |
| N3 | C15 | H151 | 110.5° | 109.5° |
| N3 | C15 | H152 | 110.5° | 109.4° |
| C15 | N3 | C16 | 124.8° | 120.0° |
| C15 | N3 | HN3 | 106.8° | 120.1° |
| H151 | C15 | H152 | 99.9° | 109.5° |
| C16 | N3 | HN3 | 106.8° | 120.0° |
| N3 | C16 | N4 | 119.7° | 120.0° |
| N3 | C16 | N5 | 120.9° | 120.0° |
| N4 | C16 | N5 | 119.3° | 120.0° |
| C16 | N4 | HN41 | 119.7° | 120.0° |
| C16 | N4 | HN42 | 108.5° | 120.0° |
| C16 | N5 | HN51 | 119.3° | 120.0° |
| C16 | N5 | HN52 | 120.9° | 120.0° |
| HN41 | N4 | HN42 | 108.6° | 120.0° |
| HN51 | N5 | HN52 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 175.1° | 180.0° |
| O1 | C1 | O2 | HO2 | 180.0° | 158.1° |
| O1 | C1 | C2 | C3 | 139.9° | 180.0° |
| O1 | C1 | C2 | H21 | 94.8° | 60.0° |
| O1 | C1 | C2 | H22 | 14.6° | 60.0° |
| O2 | C1 | C2 | C3 | 44.8° | 0.0° |
| O2 | C1 | C2 | H21 | 80.5° | 120.1° |
| O2 | C1 | C2 | H22 | 170.1° | 120.0° |
| C2 | C1 | O2 | HO2 | 4.9° | 21.8° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 116.5° | 119.9° |
| C1 | C2 | C3 | O3 | 71.8° | 65.0° |
| C1 | C2 | C3 | C4 | 169.7° | 175.0° |
| C1 | C2 | C3 | H3 | 48.2° | 54.9° |
| C3 | C2 | H21 | H22 | 116.5° | 120.0° |
| C2 | C3 | O3 | C4 | 119.8° | 120.0° |
| C2 | C3 | O3 | H3 | 118.7° | 120.0° |
| C2 | C3 | C4 | H3 | 118.6° | 120.1° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 107.6° | 114.9° |
| C2 | C3 | C4 | N1 | 72.9° | 65.0° |
| H21 | C2 | C3 | O3 | 162.9° | 55.0° |
| H21 | C2 | C3 | C4 | 44.4° | 65.0° |
| H21 | C2 | C3 | H3 | 77.1° | 174.9° |
| H22 | C2 | C3 | O3 | 53.4° | 175.1° |
| H22 | C2 | C3 | C4 | 65.0° | 55.0° |
| H22 | C2 | C3 | H3 | 173.5° | 65.0° |
| O3 | C3 | C4 | H3 | 120.0° | 120.0° |
| O3 | C3 | C4 | O4 | 131.0° | 5.0° |
| O3 | C3 | C4 | N1 | 48.4° | 175.0° |
| C4 | C3 | O3 | HO3 | 60.2° | 60.0° |
| C3 | C4 | O4 | N1 | 179.4° | 180.0° |
| C3 | C4 | N1 | C6 | 176.5° | 180.0° |
| C3 | C4 | N1 | HN1 | 3.6° | 0.0° |
| H3 | C3 | O3 | HO3 | 61.3° | 180.0° |
| H3 | C3 | C4 | O4 | 11.0° | 125.0° |
| H3 | C3 | C4 | N1 | 168.4° | 55.1° |
| O4 | C4 | N1 | C6 | 2.9° | 0.1° |
| O4 | C4 | N1 | HN1 | 177.0° | 180.0° |
| C4 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C4 | N1 | C6 | C7 | 143.1° | 85.0° |
| C4 | N1 | C6 | C11 | 98.3° | 155.0° |
| C4 | N1 | C6 | H6 | 23.8° | 35.0° |
| N1 | C6 | C7 | C11 | 118.2° | 120.0° |
| N1 | C6 | C7 | H6 | 119.7° | 120.0° |
| N1 | C6 | C11 | H6 | 119.7° | 120.0° |
| N1 | C6 | C7 | C8 | 94.1° | 65.0° |
| N1 | C6 | C7 | H71 | 31.2° | 175.0° |
| N1 | C6 | C7 | H72 | 140.7° | 55.0° |
| N1 | C6 | C11 | O5 | 58.7° | 0.0° |
| N1 | C6 | C11 | N2 | 119.9° | 180.0° |
| HN1 | N1 | C6 | C7 | 36.8° | 95.0° |
| HN1 | N1 | C6 | C11 | 81.7° | 25.0° |
| HN1 | N1 | C6 | H6 | 156.2° | 145.0° |
| C7 | C6 | C11 | H6 | 119.3° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 114.5° | 120.0° |
| C6 | C7 | C8 | C9 | 173.5° | 175.0° |
| C6 | C7 | C8 | C10 | 51.0° | 65.0° |
| C6 | C7 | C8 | H8 | 67.4° | 55.0° |
| C7 | C6 | C11 | O5 | 62.3° | 120.0° |
| C7 | C6 | C11 | N2 | 119.1° | 60.1° |
| C11 | C6 | C7 | C8 | 147.7° | 175.0° |
| C11 | C6 | C7 | H71 | 87.1° | 55.0° |
| C11 | C6 | C7 | H72 | 22.4° | 65.0° |
| C6 | C11 | O5 | N2 | 178.4° | 179.9° |
| C6 | C11 | N2 | C12 | 179.4° | 180.0° |
| C6 | C11 | N2 | HN2 | 0.6° | 0.1° |
| H6 | C6 | C7 | C8 | 25.7° | 55.0° |
| H6 | C6 | C7 | H71 | 150.9° | 65.0° |
| H6 | C6 | C7 | H72 | 99.6° | 174.9° |
| H6 | C6 | C11 | O5 | 178.4° | 120.0° |
| H6 | C6 | C11 | N2 | 0.2° | 60.0° |
| C8 | C7 | H71 | H72 | 114.3° | 120.0° |
| C7 | C8 | C9 | C10 | 121.1° | 120.0° |
| C7 | C8 | C9 | H8 | 120.7° | 120.0° |
| C7 | C8 | C10 | H8 | 120.7° | 120.0° |
| C7 | C8 | C9 | H91 | 180.0° | 180.0° |
| C7 | C8 | C9 | H92 | 54.7° | 60.0° |
| C7 | C8 | C9 | H93 | 54.7° | 60.0° |
| C7 | C8 | C10 | H101 | 180.0° | 60.0° |
| C7 | C8 | C10 | H102 | 54.8° | 60.1° |
| C7 | C8 | C10 | H103 | 54.8° | 180.0° |
| H71 | C7 | C8 | C9 | 61.2° | 65.0° |
| H71 | C7 | C8 | C10 | 176.3° | 55.0° |
| H71 | C7 | C8 | H8 | 57.9° | 175.0° |
| H72 | C7 | C8 | C9 | 48.2° | 55.0° |
| H72 | C7 | C8 | C10 | 74.3° | 175.0° |
| H72 | C7 | C8 | H8 | 167.3° | 65.0° |
| C9 | C8 | C10 | H8 | 119.0° | 120.1° |
| C8 | C9 | H91 | H92 | 125.3° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 118.6° | 120.0° |
| C9 | C8 | C10 | H101 | 59.6° | 59.9° |
| C9 | C8 | C10 | H102 | 65.5° | 180.0° |
| C9 | C8 | C10 | H103 | 175.1° | 60.1° |
| C10 | C8 | C9 | H91 | 58.9° | 60.0° |
| C10 | C8 | C9 | H92 | 175.8° | 180.0° |
| C10 | C8 | C9 | H93 | 66.3° | 60.0° |
| C8 | C10 | H101 | H102 | 125.2° | 120.0° |
| C8 | C10 | H101 | H103 | 125.3° | 120.0° |
| C8 | C10 | H102 | H103 | 118.1° | 119.9° |
| H8 | C8 | C9 | H91 | 59.3° | 60.0° |
| H8 | C8 | C9 | H92 | 65.9° | 60.0° |
| H8 | C8 | C9 | H93 | 175.4° | 179.9° |
| H8 | C8 | C10 | H101 | 59.4° | 180.0° |
| H8 | C8 | C10 | H102 | 175.4° | 59.9° |
| H8 | C8 | C10 | H103 | 65.9° | 60.0° |
| H91 | C9 | H92 | H93 | 118.5° | 120.1° |
| H101 | C10 | H102 | H103 | 118.1° | 120.0° |
| O5 | C11 | N2 | C12 | 2.1° | 0.0° |
| O5 | C11 | N2 | HN2 | 177.9° | 180.0° |
| C11 | N2 | C12 | HN2 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 15.9° | 180.0° |
| C11 | N2 | C12 | H121 | 141.1° | 60.0° |
| C11 | N2 | C12 | H122 | 109.4° | 60.0° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.2° | 120.0° |
| N2 | C12 | H121 | H122 | 115.7° | 120.0° |
| N2 | C12 | C13 | C14 | 118.7° | 180.0° |
| N2 | C12 | C13 | H131 | 6.6° | 60.0° |
| N2 | C12 | C13 | H132 | 116.0° | 60.0° |
| HN2 | N2 | C12 | C13 | 164.2° | 0.0° |
| HN2 | N2 | C12 | H121 | 38.9° | 120.0° |
| HN2 | N2 | C12 | H122 | 70.6° | 120.0° |
| C13 | C12 | H121 | H122 | 115.7° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 145.4° | 180.0° |
| C12 | C13 | C14 | H141 | 20.1° | 60.0° |
| C12 | C13 | C14 | H142 | 89.3° | 60.0° |
| H121 | C12 | C13 | C14 | 116.0° | 60.0° |
| H121 | C12 | C13 | H131 | 118.7° | 180.0° |
| H121 | C12 | C13 | H132 | 9.3° | 60.0° |
| H122 | C12 | C13 | C14 | 6.5° | 60.0° |
| H122 | C12 | C13 | H131 | 131.8° | 60.0° |
| H122 | C12 | C13 | H132 | 118.8° | 180.0° |
| C14 | C13 | H131 | H132 | 117.3° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 116.4° | 120.0° |
| C13 | C14 | C15 | N3 | 147.3° | 180.0° |
| C13 | C14 | C15 | H151 | 22.1° | 59.9° |
| C13 | C14 | C15 | H152 | 87.4° | 60.0° |
| H131 | C13 | C14 | C15 | 89.4° | 60.0° |
| H131 | C13 | C14 | H141 | 145.3° | 180.0° |
| H131 | C13 | C14 | H142 | 35.9° | 60.0° |
| H132 | C13 | C14 | C15 | 20.1° | 60.0° |
| H132 | C13 | C14 | H141 | 105.2° | 60.0° |
| H132 | C13 | C14 | H142 | 145.4° | 180.0° |
| C15 | C14 | H141 | H142 | 116.4° | 120.0° |
| C14 | C15 | N3 | H151 | 125.2° | 120.0° |
| C14 | C15 | N3 | H152 | 125.2° | 119.9° |
| C14 | C15 | H151 | H152 | 116.3° | 120.0° |
| C14 | C15 | N3 | C16 | 169.1° | 180.0° |
| C14 | C15 | N3 | HN3 | 65.6° | 0.0° |
| H141 | C14 | C15 | N3 | 87.4° | 60.0° |
| H141 | C14 | C15 | H151 | 147.4° | 180.0° |
| H141 | C14 | C15 | H152 | 37.9° | 60.0° |
| H142 | C14 | C15 | N3 | 22.1° | 60.0° |
| H142 | C14 | C15 | H151 | 103.2° | 60.1° |
| H142 | C14 | C15 | H152 | 147.3° | 180.0° |
| N3 | C15 | H151 | H152 | 116.3° | 120.0° |
| C15 | N3 | C16 | HN3 | 125.3° | 179.9° |
| C15 | N3 | C16 | N4 | 0.6° | 0.1° |
| C15 | N3 | C16 | N5 | 178.1° | 180.0° |
| H151 | C15 | N3 | C16 | 65.7° | 59.9° |
| H151 | C15 | N3 | HN3 | 59.6° | 120.0° |
| H152 | C15 | N3 | C16 | 43.9° | 60.1° |
| H152 | C15 | N3 | HN3 | 169.2° | 120.0° |
| N3 | C16 | N4 | N5 | 177.5° | 180.0° |
| N3 | C16 | N4 | HN41 | 180.0° | 0.0° |
| N3 | C16 | N4 | HN42 | 54.7° | 180.0° |
| N3 | C16 | N5 | HN51 | 2.5° | 179.9° |
| N3 | C16 | N5 | HN52 | 180.0° | 0.1° |
| HN3 | N3 | C16 | N4 | 124.7° | 180.0° |
| HN3 | N3 | C16 | N5 | 52.8° | 0.0° |
| C16 | N4 | HN41 | HN42 | 125.2° | 180.0° |
| N4 | C16 | N5 | HN51 | 180.0° | 0.1° |
| N4 | C16 | N5 | HN52 | 2.5° | 179.9° |
| N5 | C16 | N4 | HN41 | 2.5° | 180.0° |
| N5 | C16 | N4 | HN42 | 127.8° | 0.0° |
| C16 | N5 | HN51 | HN52 | 177.5° | 179.9° |
