PRD_000919
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C4 | sing | 1.35Å | 1.61Å | |
| N1 | C5 | sing | 1.46Å | 1.42Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| N3 | C13 | sing | 1.35Å | 1.37Å | |
| N3 | C14 | sing | 1.46Å | 1.45Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | CA | sing | 1.51Å | 1.53Å | |
| C4 | O1 | doub | 1.21Å | 1.22Å | |
| O4 | N | sing | 1.42Å | 1.34Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | C10 | sing | 1.51Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| C6 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C10 | N2 | sing | 1.35Å | 1.15Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.49Å | |
| C11 | C13 | sing | 1.51Å | 1.30Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N | C | sing | 1.35Å | 1.32Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | C0 | sing | 1.51Å | 1.49Å | |
| C0 | CA | sing | 1.53Å | 1.44Å | |
| C0 | H01 | sing | 1.09Å | 1.10Å | |
| C0 | H02 | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | C1 | sing | 1.53Å | 1.57Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C13 | O3 | doub | 1.21Å | 1.22Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.49Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N1 | C5 | 108.3° | 120.0° |
| C4 | N1 | HN1 | 125.9° | 120.0° |
| N1 | C4 | CA | 114.1° | 120.0° |
| N1 | C4 | O1 | 122.6° | 120.0° |
| C5 | N1 | HN1 | 125.8° | 120.0° |
| N1 | C5 | C6 | 108.3° | 109.5° |
| N1 | C5 | C10 | 104.3° | 109.4° |
| N1 | C5 | H5 | 113.5° | 109.5° |
| C1 | C2 | H21 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| C1 | C2 | H23 | 109.4° | 109.4° |
| C2 | C1 | CB | 106.6° | 109.5° |
| C2 | C1 | C3 | 108.7° | 109.5° |
| C2 | C1 | H1 | 110.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H21 | C2 | H23 | 109.4° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| O2 | C10 | C5 | 118.5° | 120.0° |
| O2 | C10 | N2 | 124.8° | 120.0° |
| C13 | N3 | C14 | 121.4° | 120.0° |
| C13 | N3 | HN3 | 119.3° | 120.0° |
| N3 | C13 | C11 | 134.6° | 120.0° |
| N3 | C13 | O3 | 120.4° | 120.0° |
| C14 | N3 | HN3 | 119.4° | 120.0° |
| N3 | C14 | C15 | 109.8° | 109.5° |
| N3 | C14 | H141 | 109.4° | 109.5° |
| N3 | C14 | H142 | 109.4° | 109.5° |
| CA | C4 | O1 | 122.8° | 120.0° |
| C4 | CA | C0 | 101.5° | 109.4° |
| C4 | CA | CB | 102.2° | 109.5° |
| C4 | CA | HA | 123.2° | 109.4° |
| N | O4 | HO4 | 109.5° | 113.9° |
| O4 | N | C | 131.4° | 120.0° |
| O4 | N | HN | 114.3° | 120.0° |
| C6 | C5 | C10 | 109.4° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C5 | C6 | C8 | 106.7° | 109.5° |
| C5 | C6 | C9 | 111.2° | 109.5° |
| C5 | C6 | C7 | 109.8° | 109.5° |
| C10 | C5 | H5 | 112.4° | 109.5° |
| C5 | C10 | N2 | 115.6° | 120.0° |
| C8 | C6 | C9 | 110.9° | 109.5° |
| C8 | C6 | C7 | 108.4° | 109.4° |
| C6 | C8 | H81 | 109.5° | 109.4° |
| C6 | C8 | H82 | 109.5° | 109.5° |
| C6 | C8 | H83 | 109.5° | 109.4° |
| C9 | C6 | C7 | 109.8° | 109.5° |
| C6 | C9 | H91 | 109.5° | 109.5° |
| C6 | C9 | H92 | 109.5° | 109.5° |
| C6 | C9 | H93 | 109.5° | 109.5° |
| C6 | C7 | H71 | 109.5° | 109.5° |
| C6 | C7 | H72 | 109.5° | 109.5° |
| C6 | C7 | H73 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.4° | 109.6° |
| H81 | C8 | H83 | 109.4° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.4° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| C10 | N2 | C11 | 120.3° | 119.9° |
| C10 | N2 | HN2 | 119.8° | 120.0° |
| C12 | C11 | N2 | 115.8° | 109.5° |
| C12 | C11 | C13 | 116.4° | 109.5° |
| C12 | C11 | H11 | 139.3° | 109.5° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.5° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| N2 | C11 | C13 | 127.4° | 109.4° |
| N2 | C11 | H11 | 74.5° | 109.5° |
| C11 | N2 | HN2 | 119.8° | 120.0° |
| C13 | C11 | H11 | 70.5° | 109.5° |
| C11 | C13 | O3 | 92.0° | 120.0° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| C | N | HN | 114.3° | 120.0° |
| N | C | O | 120.7° | 120.0° |
| N | C | C0 | 118.8° | 120.0° |
| O | C | C0 | 119.3° | 120.0° |
| C | C0 | CA | 98.4° | 109.4° |
| C | C0 | H01 | 113.3° | 109.4° |
| C | C0 | H02 | 113.4° | 109.5° |
| CA | C0 | H01 | 113.4° | 109.5° |
| CA | C0 | H02 | 113.4° | 109.5° |
| C0 | CA | CB | 120.7° | 109.5° |
| C0 | CA | HA | 105.6° | 109.4° |
| H01 | C0 | H02 | 105.3° | 109.5° |
| CB | CA | HA | 104.9° | 109.5° |
| CA | CB | C1 | 112.3° | 109.4° |
| CA | CB | HB1 | 108.5° | 109.4° |
| CA | CB | HB2 | 108.5° | 109.5° |
| C1 | CB | HB1 | 108.5° | 109.5° |
| C1 | CB | HB2 | 108.5° | 109.5° |
| CB | C1 | C3 | 104.9° | 109.4° |
| CB | C1 | H1 | 113.8° | 109.5° |
| HB1 | CB | HB2 | 110.4° | 109.5° |
| C3 | C1 | H1 | 112.0° | 109.5° |
| C1 | C3 | H31 | 109.5° | 109.4° |
| C1 | C3 | H32 | 109.5° | 109.5° |
| C1 | C3 | H33 | 109.4° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.4° | 109.4° |
| H71 | C7 | H73 | 109.4° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.5° |
| C15 | C14 | H142 | 109.4° | 109.4° |
| C14 | C15 | N4 | 106.9° | 109.5° |
| C14 | C15 | H151 | 110.3° | 109.5° |
| C14 | C15 | H152 | 110.3° | 109.5° |
| H141 | C14 | H142 | 109.6° | 109.4° |
| N4 | C15 | H151 | 110.3° | 109.4° |
| N4 | C15 | H152 | 110.3° | 109.5° |
| C15 | N4 | HN41 | 109.5° | 111.0° |
| C15 | N4 | HN42 | 109.5° | 111.0° |
| H151 | C15 | H152 | 108.6° | 109.5° |
| HN41 | N4 | HN42 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N1 | C5 | HN1 | 180.0° | 179.7° |
| N1 | C4 | CA | O1 | 171.6° | 179.9° |
| C4 | N1 | C5 | C6 | 118.4° | 100.1° |
| C4 | N1 | C5 | C10 | 125.1° | 139.9° |
| C4 | N1 | C5 | H5 | 2.5° | 19.9° |
| N1 | C4 | CA | C0 | 115.8° | 170.6° |
| N1 | C4 | CA | CB | 118.9° | 69.4° |
| N1 | C4 | CA | HA | 1.7° | 50.7° |
| N1 | C5 | C10 | O2 | 28.9° | 28.9° |
| C5 | N1 | C4 | CA | 166.2° | 175.0° |
| C5 | N1 | C4 | O1 | 5.4° | 4.9° |
| N1 | C5 | C6 | C10 | 113.2° | 120.0° |
| N1 | C5 | C6 | H5 | 123.7° | 120.1° |
| N1 | C5 | C10 | H5 | 123.4° | 120.0° |
| N1 | C5 | C6 | C8 | 53.3° | 63.8° |
| N1 | C5 | C6 | C9 | 174.3° | 176.1° |
| N1 | C5 | C6 | C7 | 63.9° | 56.1° |
| N1 | C5 | C10 | N2 | 139.9° | 151.2° |
| HN1 | N1 | C4 | CA | 13.8° | 5.3° |
| HN1 | N1 | C4 | O1 | 174.6° | 174.8° |
| HN1 | N1 | C5 | C6 | 61.6° | 79.5° |
| HN1 | N1 | C5 | C10 | 54.9° | 40.4° |
| HN1 | N1 | C5 | H5 | 177.5° | 160.4° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | H21 | H23 | 120.0° | 120.0° |
| C1 | C2 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | CB | CA | 65.1° | 67.6° |
| C2 | C1 | CB | C3 | 115.2° | 119.9° |
| C2 | C1 | CB | H1 | 122.0° | 120.1° |
| C2 | C1 | CB | HB1 | 54.9° | 172.4° |
| C2 | C1 | CB | HB2 | 174.9° | 52.4° |
| C2 | C1 | C3 | H1 | 122.3° | 120.1° |
| C2 | C1 | C3 | H31 | 180.0° | 60.0° |
| C2 | C1 | C3 | H32 | 60.0° | 180.0° |
| C2 | C1 | C3 | H33 | 60.0° | 59.9° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
| H21 | C2 | C1 | CB | 180.0° | 62.3° |
| H21 | C2 | C1 | C3 | 67.3° | 57.7° |
| H21 | C2 | C1 | H1 | 55.9° | 177.7° |
| H22 | C2 | C1 | CB | 60.0° | 57.7° |
| H22 | C2 | C1 | C3 | 172.6° | 177.6° |
| H22 | C2 | C1 | H1 | 64.2° | 62.3° |
| H23 | C2 | C1 | CB | 60.0° | 177.8° |
| H23 | C2 | C1 | C3 | 52.6° | 62.3° |
| H23 | C2 | C1 | H1 | 175.8° | 57.7° |
| O2 | C10 | C5 | C6 | 86.7° | 91.1° |
| O2 | C10 | C5 | N2 | 168.8° | 179.9° |
| O2 | C10 | C5 | H5 | 152.3° | 148.9° |
| O2 | C10 | N2 | C11 | 31.1° | 4.9° |
| O2 | C10 | N2 | HN2 | 148.9° | 175.1° |
| C13 | N3 | C14 | HN3 | 180.0° | 180.0° |
| N3 | C13 | C11 | C12 | 50.1° | 60.1° |
| N3 | C13 | C11 | N2 | 137.4° | 180.0° |
| N3 | C13 | C11 | O3 | 138.3° | 179.9° |
| N3 | C13 | C11 | H11 | 86.2° | 60.0° |
| C13 | N3 | C14 | C15 | 133.9° | 180.0° |
| C13 | N3 | C14 | H141 | 13.9° | 60.0° |
| C13 | N3 | C14 | H142 | 106.1° | 60.0° |
| C14 | N3 | C13 | C11 | 149.0° | 180.0° |
| C14 | N3 | C13 | O3 | 19.5° | 0.1° |
| N3 | C14 | C15 | H141 | 120.0° | 120.1° |
| N3 | C14 | C15 | H142 | 120.0° | 120.0° |
| N3 | C14 | H141 | H142 | 119.9° | 120.0° |
| N3 | C14 | C15 | N4 | 128.4° | 180.0° |
| N3 | C14 | C15 | H151 | 111.5° | 60.0° |
| N3 | C14 | C15 | H152 | 8.4° | 60.0° |
| HN3 | N3 | C13 | C11 | 31.0° | 0.1° |
| HN3 | N3 | C13 | O3 | 160.5° | 180.0° |
| HN3 | N3 | C14 | C15 | 46.0° | 0.0° |
| HN3 | N3 | C14 | H141 | 166.1° | 120.0° |
| HN3 | N3 | C14 | H142 | 74.0° | 120.0° |
| C4 | CA | C0 | C | 179.5° | 153.9° |
| C4 | CA | C0 | CB | 111.9° | 120.1° |
| C4 | CA | C0 | HA | 129.6° | 119.9° |
| C4 | CA | C0 | H01 | 59.5° | 86.2° |
| C4 | CA | C0 | H02 | 60.5° | 33.8° |
| C4 | CA | CB | HA | 129.7° | 120.0° |
| C4 | CA | CB | C1 | 62.1° | 172.6° |
| C4 | CA | CB | HB1 | 177.8° | 67.4° |
| C4 | CA | CB | HB2 | 57.9° | 52.5° |
| O1 | C4 | CA | C0 | 55.8° | 9.5° |
| O1 | C4 | CA | CB | 69.5° | 110.5° |
| O1 | C4 | CA | HA | 173.3° | 129.4° |
| O4 | N | C | HN | 180.0° | 180.0° |
| O4 | N | C | O | 23.6° | 0.0° |
| O4 | N | C | C0 | 169.4° | 180.0° |
| HO4 | O4 | N | C | 11.4° | 180.0° |
| HO4 | O4 | N | HN | 168.7° | 0.0° |
| C6 | C5 | C10 | H5 | 120.9° | 120.0° |
| C5 | C6 | C8 | C9 | 121.2° | 120.0° |
| C5 | C6 | C8 | C7 | 118.2° | 120.0° |
| C5 | C6 | C9 | C7 | 121.8° | 120.0° |
| C5 | C6 | C8 | H81 | 180.0° | 60.0° |
| C5 | C6 | C8 | H82 | 60.0° | 179.9° |
| C5 | C6 | C8 | H83 | 60.0° | 59.9° |
| C5 | C6 | C9 | H91 | 180.0° | 59.5° |
| C5 | C6 | C9 | H92 | 60.0° | 179.5° |
| C5 | C6 | C9 | H93 | 60.0° | 60.5° |
| C6 | C5 | C10 | N2 | 104.4° | 88.8° |
| C5 | C6 | C7 | H71 | 180.0° | 60.0° |
| C5 | C6 | C7 | H72 | 60.0° | 180.0° |
| C5 | C6 | C7 | H73 | 60.0° | 60.0° |
| C10 | C5 | C6 | C8 | 59.9° | 56.1° |
| C10 | C5 | C6 | C9 | 61.1° | 63.9° |
| C10 | C5 | C6 | C7 | 177.1° | 176.1° |
| C5 | C10 | N2 | C11 | 160.9° | 175.2° |
| C5 | C10 | N2 | HN2 | 19.1° | 4.8° |
| H5 | C5 | C6 | C8 | 177.0° | 176.1° |
| H5 | C5 | C6 | C9 | 62.0° | 56.1° |
| H5 | C5 | C6 | C7 | 59.8° | 63.9° |
| H5 | C5 | C10 | N2 | 16.5° | 31.2° |
| C8 | C6 | C9 | C7 | 119.7° | 120.0° |
| C6 | C8 | H81 | H82 | 120.0° | 120.0° |
| C6 | C8 | H81 | H83 | 120.0° | 119.9° |
| C6 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C6 | C9 | H91 | 61.5° | 179.6° |
| C8 | C6 | C9 | H92 | 58.5° | 60.5° |
| C8 | C6 | C9 | H93 | 178.5° | 59.5° |
| C8 | C6 | C7 | H71 | 63.8° | 60.0° |
| C8 | C6 | C7 | H72 | 176.2° | 60.0° |
| C8 | C6 | C7 | H73 | 56.2° | 180.0° |
| C9 | C6 | C8 | H81 | 58.8° | 60.1° |
| C9 | C6 | C8 | H82 | 178.7° | 60.0° |
| C9 | C6 | C8 | H83 | 61.2° | 180.0° |
| C6 | C9 | H91 | H92 | 120.0° | 120.0° |
| C6 | C9 | H91 | H93 | 120.0° | 120.0° |
| C6 | C9 | H92 | H93 | 120.0° | 120.0° |
| C9 | C6 | C7 | H71 | 57.4° | 180.0° |
| C9 | C6 | C7 | H72 | 62.6° | 60.0° |
| C9 | C6 | C7 | H73 | 177.4° | 60.0° |
| C7 | C6 | C8 | H81 | 61.8° | 179.9° |
| C7 | C6 | C8 | H82 | 58.2° | 59.9° |
| C7 | C6 | C8 | H83 | 178.2° | 60.0° |
| C7 | C6 | C9 | H91 | 58.2° | 60.5° |
| C7 | C6 | C9 | H92 | 178.2° | 59.5° |
| C7 | C6 | C9 | H93 | 61.8° | 179.5° |
| C6 | C7 | H71 | H72 | 120.0° | 120.1° |
| C6 | C7 | H71 | H73 | 120.0° | 120.0° |
| C6 | C7 | H72 | H73 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| C10 | N2 | C11 | C12 | 172.1° | 85.0° |
| C10 | N2 | C11 | HN2 | 180.0° | 180.0° |
| C10 | N2 | C11 | C13 | 15.3° | 155.1° |
| C10 | N2 | C11 | H11 | 34.3° | 35.1° |
| C12 | C11 | N2 | C13 | 172.6° | 119.9° |
| C12 | C11 | N2 | H11 | 137.8° | 120.1° |
| C12 | C11 | C13 | H11 | 136.3° | 120.1° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C11 | N2 | HN2 | 7.9° | 95.0° |
| C12 | C11 | C13 | O3 | 88.2° | 120.0° |
| N2 | C11 | C13 | H11 | 51.2° | 120.0° |
| N2 | C11 | C12 | H121 | 180.0° | 60.0° |
| N2 | C11 | C12 | H122 | 60.0° | 179.9° |
| N2 | C11 | C12 | H123 | 60.0° | 60.0° |
| N2 | C11 | C13 | O3 | 84.4° | 0.1° |
| C13 | C11 | C12 | H121 | 6.6° | 59.9° |
| C13 | C11 | C12 | H122 | 126.6° | 60.0° |
| C13 | C11 | C12 | H123 | 113.4° | 180.0° |
| C13 | C11 | N2 | HN2 | 164.7° | 24.9° |
| H11 | C11 | C12 | H121 | 83.9° | 180.0° |
| H11 | C11 | C12 | H122 | 36.1° | 60.0° |
| H11 | C11 | C12 | H123 | 156.1° | 60.0° |
| H11 | C11 | N2 | HN2 | 145.7° | 144.9° |
| H11 | C11 | C13 | O3 | 135.5° | 119.9° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| N | C | O | C0 | 166.9° | 180.0° |
| N | C | C0 | CA | 90.3° | 171.2° |
| N | C | C0 | H01 | 29.7° | 51.3° |
| N | C | C0 | H02 | 149.7° | 68.7° |
| HN | N | C | O | 156.4° | 180.0° |
| HN | N | C | C0 | 10.6° | 0.0° |
| O | C | C0 | CA | 76.9° | 8.8° |
| O | C | C0 | H01 | 163.1° | 128.7° |
| O | C | C0 | H02 | 43.1° | 111.3° |
| C | C0 | CA | H01 | 120.0° | 119.9° |
| C | C0 | CA | H02 | 120.0° | 120.0° |
| C | C0 | H01 | H02 | 124.5° | 120.0° |
| C | C0 | CA | CB | 67.6° | 86.1° |
| C | C0 | CA | HA | 50.9° | 33.9° |
| CA | C0 | H01 | H02 | 124.5° | 120.0° |
| C0 | CA | CB | HA | 118.9° | 120.0° |
| C0 | CA | CB | C1 | 173.6° | 67.4° |
| C0 | CA | CB | HB1 | 66.4° | 52.6° |
| C0 | CA | CB | HB2 | 53.6° | 172.5° |
| H01 | C0 | CA | CB | 52.3° | 33.9° |
| H01 | C0 | CA | HA | 170.9° | 153.9° |
| H02 | C0 | CA | CB | 172.3° | 153.9° |
| H02 | C0 | CA | HA | 69.1° | 86.1° |
| CA | CB | C1 | HB1 | 120.0° | 120.0° |
| CA | CB | C1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.8° | 120.0° |
| CA | CB | C1 | C3 | 179.8° | 172.4° |
| CA | CB | C1 | H1 | 57.0° | 52.4° |
| HA | CA | CB | C1 | 67.5° | 52.5° |
| HA | CA | CB | HB1 | 52.5° | 172.6° |
| HA | CA | CB | HB2 | 172.5° | 67.5° |
| C1 | CB | HB1 | HB2 | 118.8° | 120.1° |
| CB | C1 | C3 | H1 | 124.0° | 120.0° |
| CB | C1 | C3 | H31 | 66.3° | 180.0° |
| CB | C1 | C3 | H32 | 173.7° | 60.0° |
| CB | C1 | C3 | H33 | 53.7° | 60.0° |
| HB1 | CB | C1 | C3 | 60.2° | 52.5° |
| HB1 | CB | C1 | H1 | 177.0° | 67.5° |
| HB2 | CB | C1 | C3 | 59.7° | 67.6° |
| HB2 | CB | C1 | H1 | 63.1° | 172.4° |
| C1 | C3 | H31 | H32 | 120.0° | 120.0° |
| C1 | C3 | H31 | H33 | 120.0° | 120.0° |
| C1 | C3 | H32 | H33 | 120.0° | 120.0° |
| H1 | C1 | C3 | H31 | 57.7° | 60.0° |
| H1 | C1 | C3 | H32 | 62.3° | 60.0° |
| H1 | C1 | C3 | H33 | 177.7° | 180.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| C15 | C14 | H141 | H142 | 119.9° | 119.9° |
| C14 | C15 | N4 | H151 | 120.0° | 120.0° |
| C14 | C15 | N4 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 121.0° | 120.0° |
| C14 | C15 | N4 | HN41 | 180.0° | 180.0° |
| C14 | C15 | N4 | HN42 | 60.0° | 56.1° |
| H141 | C14 | C15 | N4 | 8.4° | 60.0° |
| H141 | C14 | C15 | H151 | 128.4° | 179.9° |
| H141 | C14 | C15 | H152 | 111.6° | 60.0° |
| H142 | C14 | C15 | N4 | 111.6° | 60.0° |
| H142 | C14 | C15 | H151 | 8.5° | 60.0° |
| H142 | C14 | C15 | H152 | 128.4° | 180.0° |
| N4 | C15 | H151 | H152 | 121.0° | 120.0° |
| C15 | N4 | HN41 | HN42 | 120.0° | 123.9° |
| H151 | C15 | N4 | HN41 | 60.0° | 60.0° |
| H151 | C15 | N4 | HN42 | 180.0° | 176.0° |
| H152 | C15 | N4 | HN41 | 60.0° | 60.0° |
| H152 | C15 | N4 | HN42 | 60.0° | 63.9° |
