MV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | S17 | sing | 1.81Å | 1.82Å | |
| C16 | C10 | sing | 1.53Å | 1.54Å | |
| N12 | C10 | sing | 1.47Å | 1.47Å | |
| O9 | C8 | doub | 1.21Å | 1.22Å | |
| S17 | S18 | sing | 2.05Å | 2.05Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| S18 | C19 | sing | 1.81Å | 1.82Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| N22 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C68 | sing | 1.51Å | 1.50Å | |
| C68 | N69 | sing | 1.35Å | 1.35Å | |
| C68 | O70 | doub | 1.21Å | 1.22Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C19 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| N22 | H7 | sing | 1.01Å | 1.00Å | |
| N22 | H8 | sing | 1.01Å | 1.00Å | |
| N12 | H10 | sing | 1.01Å | 1.00Å | |
| N12 | H11 | sing | 1.01Å | 1.00Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| N69 | H14 | sing | 0.97Å | 1.00Å | |
| N69 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S17 | C16 | C10 | 108.5° | 109.5° |
| C16 | S17 | S18 | 106.3° | 103.0° |
| S17 | C16 | H3 | 109.7° | 109.5° |
| S17 | C16 | H4 | 109.7° | 109.5° |
| C16 | C10 | N12 | 108.4° | 109.4° |
| C16 | C10 | C8 | 111.1° | 109.4° |
| C16 | C10 | H2 | 108.3° | 109.4° |
| C10 | C16 | H3 | 109.7° | 109.5° |
| C10 | C16 | H4 | 109.7° | 109.4° |
| N12 | C10 | C8 | 111.2° | 109.5° |
| N12 | C10 | H2 | 109.1° | 109.5° |
| C10 | N12 | H10 | 109.5° | 111.0° |
| C10 | N12 | H11 | 109.5° | 111.1° |
| O9 | C8 | C10 | 120.7° | 120.0° |
| O9 | C8 | H1 | 119.6° | 120.0° |
| S17 | S18 | C19 | 103.7° | 103.0° |
| C10 | C8 | H1 | 119.7° | 120.0° |
| C8 | C10 | H2 | 108.6° | 109.5° |
| S18 | C19 | C20 | 109.6° | 109.5° |
| S18 | C19 | H5 | 109.4° | 109.5° |
| S18 | C19 | H6 | 109.4° | 109.5° |
| C19 | C20 | N22 | 109.3° | 109.5° |
| C19 | C20 | C68 | 110.9° | 109.5° |
| C20 | C19 | H5 | 109.4° | 109.4° |
| C20 | C19 | H6 | 109.5° | 109.5° |
| C19 | C20 | H13 | 108.4° | 109.5° |
| N22 | C20 | C68 | 110.2° | 109.4° |
| C20 | N22 | H7 | 109.5° | 111.0° |
| C20 | N22 | H8 | 109.4° | 111.0° |
| N22 | C20 | H13 | 109.1° | 109.5° |
| C20 | C68 | N69 | 119.3° | 120.0° |
| C20 | C68 | O70 | 120.7° | 120.0° |
| C68 | C20 | H13 | 108.8° | 109.5° |
| N69 | C68 | O70 | 120.0° | 120.0° |
| C68 | N69 | H14 | 120.0° | 120.0° |
| C68 | N69 | H15 | 120.0° | 120.0° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H5 | C19 | H6 | 109.5° | 109.5° |
| H7 | N22 | H8 | 109.5° | 111.0° |
| H10 | N12 | H11 | 109.5° | 111.0° |
| H14 | N69 | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S17 | C16 | C10 | H3 | 119.9° | 120.1° |
| S17 | C16 | C10 | H4 | 119.8° | 120.0° |
| S17 | C16 | C10 | N12 | 64.9° | 60.1° |
| S17 | C16 | C10 | C8 | 172.6° | 180.0° |
| C16 | S17 | S18 | C19 | 110.3° | 85.0° |
| S17 | C16 | C10 | H2 | 53.3° | 60.0° |
| S17 | C16 | H3 | H4 | 120.4° | 120.0° |
| C16 | C10 | N12 | C8 | 122.4° | 119.9° |
| C16 | C10 | N12 | H2 | 117.8° | 120.0° |
| C16 | C10 | C8 | O9 | 111.9° | 120.3° |
| C10 | C16 | S17 | S18 | 129.9° | 70.0° |
| C16 | C10 | C8 | H2 | 119.1° | 120.0° |
| C16 | C10 | C8 | H1 | 68.1° | 60.1° |
| C10 | C16 | H3 | H4 | 120.4° | 119.9° |
| C16 | C10 | N12 | H10 | 180.0° | 176.0° |
| C16 | C10 | N12 | H11 | 60.0° | 60.0° |
| N12 | C10 | C8 | O9 | 8.9° | 0.3° |
| N12 | C10 | C8 | H2 | 120.1° | 120.1° |
| N12 | C10 | C8 | H1 | 171.1° | 180.0° |
| N12 | C10 | C16 | H3 | 175.2° | 60.0° |
| N12 | C10 | C16 | H4 | 54.9° | 180.0° |
| C10 | N12 | H10 | H11 | 120.0° | 124.0° |
| O9 | C8 | C10 | H1 | 180.0° | 179.7° |
| O9 | C8 | C10 | H2 | 129.0° | 119.8° |
| S17 | S18 | C19 | C20 | 77.4° | 76.9° |
| S18 | S17 | C16 | H3 | 10.0° | 50.0° |
| S18 | S17 | C16 | H4 | 110.3° | 170.0° |
| S17 | S18 | C19 | H5 | 42.6° | 163.2° |
| S17 | S18 | C19 | H6 | 162.5° | 43.1° |
| C8 | C10 | C16 | H3 | 52.7° | 59.9° |
| C8 | C10 | C16 | H4 | 67.6° | 60.0° |
| C8 | C10 | N12 | H10 | 57.5° | 64.0° |
| C8 | C10 | N12 | H11 | 62.4° | 60.0° |
| S18 | C19 | C20 | H5 | 120.0° | 120.0° |
| S18 | C19 | C20 | H6 | 120.0° | 120.0° |
| S18 | C19 | C20 | N22 | 61.4° | 65.6° |
| S18 | C19 | C20 | C68 | 176.8° | 174.5° |
| S18 | C19 | H5 | H6 | 119.9° | 120.0° |
| S18 | C19 | C20 | H13 | 57.4° | 54.5° |
| C19 | C20 | N22 | C68 | 122.2° | 120.0° |
| C19 | C20 | N22 | H13 | 118.4° | 120.0° |
| C19 | C20 | C68 | H13 | 119.2° | 120.0° |
| C19 | C20 | C68 | N69 | 84.4° | 80.0° |
| C19 | C20 | C68 | O70 | 96.0° | 100.0° |
| C20 | C19 | H5 | H6 | 120.0° | 120.0° |
| C19 | C20 | N22 | H7 | 180.0° | 52.8° |
| C19 | C20 | N22 | H8 | 60.0° | 71.1° |
| N22 | C20 | C68 | H13 | 119.6° | 120.0° |
| N22 | C20 | C68 | N69 | 154.4° | 160.0° |
| N22 | C20 | C68 | O70 | 25.2° | 20.0° |
| N22 | C20 | C19 | H5 | 178.6° | 174.4° |
| N22 | C20 | C19 | H6 | 58.6° | 54.5° |
| C20 | N22 | H7 | H8 | 120.0° | 123.9° |
| C20 | C68 | N69 | O70 | 179.6° | 180.0° |
| C68 | C20 | C19 | H5 | 56.9° | 54.4° |
| C68 | C20 | C19 | H6 | 63.1° | 65.5° |
| C68 | C20 | N22 | H7 | 57.8° | 67.2° |
| C68 | C20 | N22 | H8 | 62.2° | 168.9° |
| C20 | C68 | N69 | H14 | 179.6° | 0.0° |
| C20 | C68 | N69 | H15 | 0.4° | 180.0° |
| N69 | C68 | C20 | H13 | 34.8° | 40.0° |
| C68 | N69 | H14 | H15 | 180.0° | 180.0° |
| O70 | C68 | C20 | H13 | 144.8° | 140.0° |
| O70 | C68 | N69 | H14 | 0.0° | 180.0° |
| O70 | C68 | N69 | H15 | 180.0° | 0.0° |
| H1 | C8 | C10 | H2 | 51.0° | 59.9° |
| H2 | C10 | C16 | H3 | 66.5° | 180.0° |
| H2 | C10 | C16 | H4 | 173.2° | 60.0° |
| H2 | C10 | N12 | H10 | 62.2° | 56.1° |
| H2 | C10 | N12 | H11 | 177.8° | 180.0° |
| H5 | C19 | C20 | H13 | 62.5° | 65.6° |
| H6 | C19 | C20 | H13 | 177.5° | 174.5° |
| H7 | N22 | C20 | H13 | 61.6° | 172.8° |
| H8 | N22 | C20 | H13 | 178.4° | 48.9° |
