VMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA4 | C4 | sing | 1.39Å | 1.43Å | |
| C4 | N3 | doub | 1.33Å | 1.31Å | Aromatic |
| C4 | C4A | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.30Å | Aromatic |
| N5 | C4A | sing | 1.40Å | 1.48Å | |
| N5 | C6 | sing | 1.47Å | 1.47Å | |
| C4A | C8A | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | NA2 | sing | 1.39Å | 1.42Å | |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C8A | N1 | sing | 1.33Å | 1.32Å | Aromatic |
| C8A | C8 | sing | 1.51Å | 1.53Å | |
| C6 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | N10 | sing | 1.46Å | 1.48Å | |
| N10 | C15 | sing | 1.39Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C | sing | 1.47Å | 1.55Å | |
| O | C | doub | 1.22Å | 1.19Å | |
| C | N | sing | 1.35Å | 1.47Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| OE1 | CD | doub | 1.21Å | 1.26Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | CT | sing | 1.51Å | 1.54Å | |
| O2 | CT | doub | 1.21Å | 1.27Å | |
| CT | O1 | sing | 1.34Å | 1.26Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| OE2 | H1 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N5 | H2 | sing | 1.01Å | 1.00Å | |
| NA2 | HA21 | sing | 0.97Å | 1.00Å | |
| NA2 | HA22 | sing | 0.97Å | 1.00Å | |
| NA4 | HA42 | sing | 0.97Å | 1.00Å | |
| NA4 | HA41 | sing | 0.97Å | 1.00Å | |
| O1 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NA4 | C4 | N3 | 117.1° | 120.4° |
| NA4 | C4 | C4A | 123.0° | 120.4° |
| C4 | NA4 | HA42 | 109.5° | 120.1° |
| C4 | NA4 | HA41 | 109.5° | 120.0° |
| N3 | C4 | C4A | 119.8° | 119.2° |
| C4 | N3 | C2 | 120.2° | 120.6° |
| C4 | C4A | N5 | 120.7° | 118.6° |
| C4 | C4A | C8A | 116.9° | 118.2° |
| N3 | C2 | NA2 | 118.3° | 119.2° |
| N3 | C2 | N1 | 123.6° | 121.7° |
| C4A | N5 | C6 | 112.0° | 113.0° |
| N5 | C4A | C8A | 122.4° | 123.2° |
| C4A | N5 | H2 | 108.8° | 111.0° |
| N5 | C6 | C9 | 105.3° | 109.6° |
| N5 | C6 | C7 | 114.6° | 108.7° |
| N5 | C6 | H61 | 109.4° | 109.5° |
| C6 | N5 | H2 | 108.9° | 110.9° |
| C4A | C8A | N1 | 121.1° | 119.2° |
| C4A | C8A | C8 | 121.0° | 122.1° |
| NA2 | C2 | N1 | 118.1° | 119.1° |
| C2 | NA2 | HA21 | 109.5° | 120.0° |
| C2 | NA2 | HA22 | 109.5° | 120.0° |
| C2 | N1 | C8A | 118.4° | 121.1° |
| N1 | C8A | C8 | 117.8° | 118.7° |
| C8A | C8 | C7 | 113.1° | 109.6° |
| C8A | C8 | H82 | 108.6° | 109.6° |
| C8A | C8 | H81 | 108.6° | 109.3° |
| C9 | C6 | C7 | 109.9° | 109.6° |
| C6 | C9 | N10 | 110.1° | 109.5° |
| C9 | C6 | H61 | 108.5° | 109.7° |
| C6 | C9 | H92 | 109.3° | 109.5° |
| C6 | C9 | H91 | 109.3° | 109.5° |
| C6 | C7 | C8 | 119.9° | 108.2° |
| C7 | C6 | H61 | 108.8° | 109.6° |
| C6 | C7 | H72 | 106.8° | 109.7° |
| C6 | C7 | H71 | 106.8° | 109.8° |
| C9 | N10 | C15 | 119.4° | 120.0° |
| N10 | C9 | H92 | 109.3° | 109.4° |
| N10 | C9 | H91 | 109.3° | 109.4° |
| C9 | N10 | H101 | 107.0° | 120.0° |
| N10 | C15 | C14 | 121.1° | 119.9° |
| N10 | C15 | C16 | 118.7° | 119.9° |
| C15 | N10 | H101 | 106.9° | 120.0° |
| C7 | C8 | H82 | 108.5° | 109.5° |
| C7 | C8 | H81 | 108.6° | 109.4° |
| C8 | C7 | H72 | 106.8° | 109.5° |
| C8 | C7 | H71 | 106.8° | 109.8° |
| C15 | C14 | C13 | 120.2° | 120.1° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C15 | C14 | H141 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.3° | 119.9° |
| C14 | C13 | H131 | 120.3° | 120.0° |
| C13 | C14 | H141 | 119.9° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.1° |
| C15 | C16 | H161 | 120.3° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.8° |
| C13 | C12 | C | 121.8° | 120.1° |
| C12 | C13 | H131 | 120.3° | 120.0° |
| C16 | C17 | C12 | 120.7° | 120.0° |
| C17 | C16 | H161 | 120.3° | 120.0° |
| C16 | C17 | H171 | 119.6° | 120.0° |
| C17 | C12 | C | 118.2° | 120.1° |
| C12 | C17 | H171 | 119.7° | 120.0° |
| C12 | C | O | 120.9° | 120.0° |
| C12 | C | N | 115.1° | 120.0° |
| O | C | N | 124.0° | 120.0° |
| C | N | CA | 125.9° | 120.0° |
| C | N | H | 117.1° | 120.0° |
| N | CA | CB | 115.2° | 109.5° |
| N | CA | CT | 104.4° | 109.4° |
| CA | N | H | 117.1° | 120.0° |
| N | CA | HA | 108.9° | 109.5° |
| CD | CG | CB | 113.2° | 109.5° |
| CG | CD | OE1 | 120.1° | 120.0° |
| CG | CD | OE2 | 119.7° | 120.0° |
| CD | CG | HG2 | 108.5° | 109.5° |
| CD | CG | HG3 | 108.6° | 109.5° |
| CG | CB | CA | 109.2° | 109.5° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CG | CB | HB3 | 109.5° | 109.4° |
| CB | CG | HG2 | 108.5° | 109.5° |
| CB | CG | HG3 | 108.6° | 109.4° |
| OE1 | CD | OE2 | 120.2° | 120.0° |
| CD | OE2 | H1 | 109.5° | 117.0° |
| CB | CA | CT | 111.8° | 109.4° |
| CB | CA | HA | 108.3° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| CA | CT | O2 | 119.7° | 120.0° |
| CA | CT | O1 | 119.9° | 120.0° |
| CT | CA | HA | 108.0° | 109.5° |
| O2 | CT | O1 | 120.4° | 120.0° |
| CT | O1 | H3 | 109.5° | 117.0° |
| H82 | C8 | H81 | 109.5° | 109.4° |
| H92 | C9 | H91 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.4° |
| H72 | C7 | H71 | 109.5° | 109.8° |
| HA21 | NA2 | HA22 | 109.5° | 120.0° |
| HA42 | NA4 | HA41 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NA4 | C4 | N3 | C4A | 179.6° | 179.9° |
| NA4 | C4 | N3 | C2 | 179.4° | 180.0° |
| NA4 | C4 | C4A | N5 | 0.7° | 0.7° |
| NA4 | C4 | C4A | C8A | 179.7° | 180.0° |
| C4 | NA4 | HA42 | HA41 | 120.0° | 180.0° |
| N3 | C4 | C4A | N5 | 178.8° | 179.4° |
| N3 | C4 | C4A | C8A | 0.2° | 0.1° |
| C4 | N3 | C2 | NA2 | 179.9° | 179.8° |
| C4 | N3 | C2 | N1 | 1.2° | 0.1° |
| N3 | C4 | NA4 | HA42 | 0.0° | 0.0° |
| N3 | C4 | NA4 | HA41 | 120.0° | 180.0° |
| C4A | C4 | N3 | C2 | 1.1° | 0.1° |
| C4 | C4A | N5 | C8A | 179.0° | 179.3° |
| C4 | C4A | N5 | C6 | 146.0° | 160.4° |
| C4 | C4A | C8A | N1 | 0.6° | 0.1° |
| C4 | C4A | C8A | C8 | 180.0° | 179.3° |
| C4 | C4A | N5 | H2 | 25.6° | 74.3° |
| C4A | C4 | NA4 | HA42 | 179.6° | 179.9° |
| C4A | C4 | NA4 | HA41 | 59.6° | 0.1° |
| N3 | C2 | NA2 | N1 | 179.0° | 179.8° |
| N3 | C2 | N1 | C8A | 0.4° | 0.2° |
| N3 | C2 | NA2 | HA21 | 0.0° | 179.7° |
| N3 | C2 | NA2 | HA22 | 120.0° | 0.2° |
| C4A | N5 | C6 | H2 | 120.4° | 125.4° |
| N5 | C4A | C8A | N1 | 179.6° | 179.2° |
| N5 | C4A | C8A | C8 | 1.0° | 1.5° |
| C4A | N5 | C6 | C9 | 75.1° | 172.7° |
| C4A | N5 | C6 | C7 | 45.8° | 52.9° |
| C4A | N5 | C6 | H61 | 168.4° | 66.9° |
| C6 | N5 | C4A | C8A | 35.0° | 20.4° |
| N5 | C6 | C9 | C7 | 124.0° | 119.3° |
| N5 | C6 | C9 | H61 | 117.1° | 120.3° |
| N5 | C6 | C7 | H61 | 122.9° | 119.7° |
| N5 | C6 | C9 | N10 | 166.4° | 55.7° |
| N5 | C6 | C7 | C8 | 26.3° | 67.8° |
| N5 | C6 | C9 | H92 | 73.4° | 175.7° |
| N5 | C6 | C9 | H91 | 46.4° | 64.2° |
| N5 | C6 | C7 | H72 | 147.7° | 51.7° |
| N5 | C6 | C7 | H71 | 95.2° | 172.4° |
| C4A | C8A | N1 | C2 | 0.5° | 0.2° |
| C4A | C8A | N1 | C8 | 179.4° | 179.4° |
| C4A | C8A | C8 | C7 | 19.9° | 16.1° |
| C4A | C8A | C8 | H82 | 100.6° | 136.3° |
| C4A | C8A | C8 | H81 | 140.5° | 103.8° |
| C8A | C4A | N5 | H2 | 155.4° | 104.9° |
| NA2 | C2 | N1 | C8A | 179.3° | 180.0° |
| C2 | NA2 | HA21 | HA22 | 120.0° | 179.9° |
| C2 | N1 | C8A | C8 | 179.9° | 179.2° |
| N1 | C2 | NA2 | HA21 | 179.0° | 0.1° |
| N1 | C2 | NA2 | HA22 | 61.0° | 180.0° |
| N1 | C8A | C8 | C7 | 159.5° | 164.5° |
| N1 | C8A | C8 | H82 | 80.0° | 44.4° |
| N1 | C8A | C8 | H81 | 38.9° | 75.5° |
| C8A | C8 | C7 | C6 | 6.6° | 47.3° |
| C8A | C8 | C7 | H82 | 120.6° | 120.2° |
| C8A | C8 | C7 | H81 | 120.5° | 119.9° |
| C8A | C8 | H82 | H81 | 118.4° | 119.8° |
| C8A | C8 | C7 | H72 | 114.8° | 72.2° |
| C8A | C8 | C7 | H71 | 128.1° | 167.1° |
| C9 | C6 | C7 | H61 | 118.7° | 120.5° |
| C6 | C9 | N10 | H92 | 120.1° | 120.0° |
| C6 | C9 | N10 | H91 | 120.1° | 120.0° |
| C6 | C9 | N10 | C15 | 130.6° | 180.0° |
| C9 | C6 | C7 | C8 | 92.1° | 172.4° |
| C6 | C9 | H92 | H91 | 119.7° | 120.0° |
| C9 | C6 | C7 | H72 | 29.4° | 68.2° |
| C9 | C6 | C7 | H71 | 146.4° | 52.5° |
| C6 | C9 | N10 | H101 | 108.0° | 0.0° |
| C9 | C6 | N5 | H2 | 45.2° | 47.3° |
| C7 | C6 | C9 | N10 | 69.6° | 175.0° |
| C6 | C7 | C8 | H72 | 121.4° | 119.5° |
| C6 | C7 | C8 | H71 | 121.5° | 119.8° |
| C6 | C7 | C8 | H82 | 113.9° | 167.5° |
| C6 | C7 | C8 | H81 | 127.2° | 72.6° |
| C7 | C6 | C9 | H92 | 50.5° | 65.0° |
| C7 | C6 | C9 | H91 | 170.3° | 55.0° |
| C6 | C7 | H72 | H71 | 115.3° | 120.7° |
| C7 | C6 | N5 | H2 | 166.2° | 72.5° |
| C9 | N10 | C15 | H101 | 121.4° | 180.0° |
| C9 | N10 | C15 | C14 | 50.2° | 0.4° |
| C9 | N10 | C15 | C16 | 129.8° | 180.0° |
| N10 | C9 | C6 | H61 | 49.3° | 64.6° |
| N10 | C9 | H92 | H91 | 119.7° | 120.0° |
| N10 | C15 | C14 | C16 | 180.0° | 179.6° |
| N10 | C15 | C14 | C13 | 180.0° | 179.8° |
| N10 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | N10 | C9 | H92 | 10.5° | 60.0° |
| C15 | N10 | C9 | H91 | 109.3° | 60.0° |
| N10 | C15 | C16 | H161 | 0.0° | 0.4° |
| N10 | C15 | C14 | H141 | 0.0° | 0.4° |
| C8 | C7 | C6 | H61 | 149.2° | 51.9° |
| C7 | C8 | H82 | H81 | 118.3° | 119.9° |
| C8 | C7 | H72 | H71 | 115.3° | 120.7° |
| C15 | C14 | C13 | H141 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.4° |
| C14 | C15 | C16 | H161 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 179.6° | 179.9° |
| C14 | C15 | N10 | H101 | 71.2° | 179.6° |
| C13 | C14 | C15 | C16 | 0.1° | 0.2° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.7° | 0.0° |
| C14 | C13 | C12 | C | 179.3° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 179.6° |
| C15 | C16 | C17 | C12 | 0.3° | 0.4° |
| C15 | C16 | C17 | H171 | 179.7° | 179.5° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| C16 | C15 | N10 | H101 | 108.8° | 0.1° |
| C13 | C12 | C17 | C16 | 0.7° | 0.2° |
| C13 | C12 | C17 | C | 178.6° | 179.7° |
| C13 | C12 | C | O | 15.6° | 179.7° |
| C13 | C12 | C | N | 163.4° | 0.3° |
| C13 | C12 | C17 | H171 | 179.3° | 179.7° |
| C12 | C13 | C14 | H141 | 179.6° | 179.8° |
| C16 | C17 | C12 | H171 | 180.0° | 179.9° |
| C16 | C17 | C12 | C | 179.3° | 179.9° |
| C17 | C12 | C | O | 165.8° | 0.0° |
| C17 | C12 | C | N | 15.2° | 180.0° |
| C12 | C17 | C16 | H161 | 179.7° | 180.0° |
| C17 | C12 | C13 | H131 | 179.3° | 180.0° |
| C12 | C | O | N | 178.9° | 180.0° |
| C12 | C | N | CA | 179.7° | 180.0° |
| C | C12 | C17 | H171 | 0.7° | 0.0° |
| C12 | C | N | H | 0.4° | 0.1° |
| C | C12 | C13 | H131 | 0.8° | 0.3° |
| O | C | N | CA | 0.7° | 0.0° |
| O | C | N | H | 179.3° | 179.9° |
| C | N | CA | H | 180.0° | 179.9° |
| C | N | CA | CB | 12.8° | 155.0° |
| C | N | CA | CT | 135.7° | 85.1° |
| C | N | CA | HA | 109.2° | 35.0° |
| N | CA | CB | CG | 89.0° | 65.1° |
| N | CA | CB | CT | 118.9° | 119.9° |
| N | CA | CB | HA | 122.2° | 120.0° |
| N | CA | CT | HA | 115.7° | 120.0° |
| N | CA | CT | O2 | 36.3° | 0.1° |
| N | CA | CT | O1 | 141.4° | 180.0° |
| N | CA | CB | HB2 | 151.1° | 54.9° |
| N | CA | CB | HB3 | 31.0° | 175.0° |
| CD | CG | CB | HG2 | 120.5° | 120.0° |
| CD | CG | CB | HG3 | 120.6° | 120.0° |
| CG | CD | OE1 | OE2 | 179.8° | 180.0° |
| CD | CG | CB | CA | 161.2° | 180.0° |
| CD | CG | CB | HB2 | 41.2° | 60.0° |
| CD | CG | CB | HB3 | 78.9° | 60.0° |
| CD | CG | HG2 | HG3 | 118.3° | 120.0° |
| CG | CD | OE2 | H1 | 179.8° | 180.0° |
| CB | CG | CD | OE1 | 172.1° | 0.0° |
| CB | CG | CD | OE2 | 7.7° | 180.0° |
| CG | CB | CA | HB2 | 120.0° | 120.0° |
| CG | CB | CA | HB3 | 120.0° | 119.9° |
| CG | CB | CA | CT | 152.1° | 175.0° |
| CG | CB | CA | HA | 33.2° | 54.9° |
| CG | CB | HB2 | HB3 | 120.1° | 119.9° |
| CB | CG | HG2 | HG3 | 118.3° | 120.0° |
| OE1 | CD | CG | HG2 | 67.3° | 120.0° |
| OE1 | CD | CG | HG3 | 51.6° | 120.0° |
| OE1 | CD | OE2 | H1 | 0.0° | 0.0° |
| OE2 | CD | CG | HG2 | 112.8° | 60.0° |
| OE2 | CD | CG | HG3 | 128.3° | 60.0° |
| CB | CA | CT | HA | 119.1° | 120.0° |
| CB | CA | CT | O2 | 161.5° | 120.0° |
| CB | CA | CT | O1 | 16.2° | 60.1° |
| CB | CA | N | H | 167.2° | 24.9° |
| CA | CB | HB2 | HB3 | 120.1° | 120.0° |
| CA | CB | CG | HG2 | 78.3° | 59.9° |
| CA | CB | CG | HG3 | 40.6° | 60.0° |
| CA | CT | O2 | O1 | 177.7° | 179.9° |
| CT | CA | N | H | 44.3° | 95.0° |
| CT | CA | CB | HB2 | 32.2° | 65.0° |
| CT | CA | CB | HB3 | 87.9° | 55.1° |
| CA | CT | O1 | H3 | 177.7° | 179.9° |
| O2 | CT | CA | HA | 79.4° | 120.0° |
| O2 | CT | O1 | H3 | 0.0° | 0.0° |
| O1 | CT | CA | HA | 102.9° | 60.0° |
| H61 | C6 | C9 | H92 | 169.5° | 55.4° |
| H61 | C6 | C9 | H91 | 70.7° | 175.4° |
| H61 | C6 | C7 | H72 | 89.4° | 171.3° |
| H61 | C6 | C7 | H71 | 27.7° | 68.0° |
| H61 | C6 | N5 | H2 | 71.3° | 167.8° |
| H82 | C8 | C7 | H72 | 124.6° | 48.0° |
| H82 | C8 | C7 | H71 | 7.6° | 72.7° |
| H81 | C8 | C7 | H72 | 5.7° | 167.9° |
| H81 | C8 | C7 | H71 | 111.3° | 47.3° |
| H92 | C9 | N10 | H101 | 131.9° | 120.0° |
| H91 | C9 | N10 | H101 | 12.1° | 120.0° |
| H161 | C16 | C17 | H171 | 0.3° | 0.1° |
| H | N | CA | HA | 70.9° | 144.9° |
| HA | CA | CB | HB2 | 86.7° | 175.0° |
| HA | CA | CB | HB3 | 153.2° | 64.9° |
| HB2 | CB | CG | HG2 | 161.8° | 180.0° |
| HB2 | CB | CG | HG3 | 79.4° | 60.0° |
| HB3 | CB | CG | HG2 | 41.7° | 60.0° |
| HB3 | CB | CG | HG3 | 160.5° | 180.0° |
| H131 | C13 | C14 | H141 | 0.4° | 0.3° |
