6VL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C13 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.50Å | 1.52Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | O | doub | 1.22Å | 1.21Å | |
| C9 | C8 | sing | 1.41Å | 1.48Å | |
| C29 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | doub | 1.35Å | 1.49Å | |
| C8 | C15 | sing | 1.51Å | 1.52Å | |
| C7 | N2 | sing | 1.37Å | 1.34Å | |
| C15 | C23 | sing | 1.50Å | 1.51Å | |
| C15 | C30 | sing | 1.51Å | 1.53Å | |
| N2 | C6 | sing | 1.40Å | 1.34Å | |
| C23 | C6 | sing | 1.42Å | 1.38Å | Aromatic |
| C23 | C5 | doub | 1.34Å | 1.42Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.35Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.35Å | 1.35Å | Aromatic |
| C30 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| N | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C29 | C15 | 115.1° | 109.5° |
| C31 | C29 | H1 | 108.0° | 109.5° |
| C31 | C29 | H2 | 108.0° | 109.5° |
| C29 | C31 | H8 | 109.5° | 109.5° |
| C29 | C31 | H9 | 109.5° | 109.5° |
| C29 | C31 | H10 | 109.5° | 109.5° |
| C13 | C11 | C10 | 109.5° | 109.6° |
| C13 | C11 | C14 | 107.3° | 109.7° |
| C13 | C11 | C12 | 109.3° | 109.6° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C11 | C13 | H19 | 109.5° | 109.5° |
| C11 | C13 | H20 | 109.5° | 109.4° |
| C11 | C10 | C9 | 112.1° | 108.8° |
| C10 | C11 | C14 | 113.8° | 108.1° |
| C10 | C11 | C12 | 108.8° | 110.1° |
| C11 | C10 | H16 | 108.8° | 109.6° |
| C11 | C10 | H17 | 108.8° | 109.6° |
| C10 | C9 | O | 123.5° | 119.2° |
| C10 | C9 | C8 | 120.6° | 121.7° |
| C9 | C10 | H16 | 108.8° | 109.6° |
| C9 | C10 | H17 | 108.8° | 109.6° |
| C14 | C11 | C12 | 108.1° | 109.7° |
| C11 | C14 | C7 | 115.0° | 109.5° |
| C11 | C14 | H11 | 108.1° | 109.4° |
| C11 | C14 | H12 | 108.1° | 109.6° |
| C11 | C12 | H13 | 109.5° | 109.4° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| O | C9 | C8 | 115.9° | 119.1° |
| C9 | C8 | C7 | 117.0° | 120.7° |
| C9 | C8 | C15 | 119.2° | 116.3° |
| C29 | C15 | C8 | 108.3° | 109.4° |
| C29 | C15 | C23 | 107.6° | 109.4° |
| C29 | C15 | C30 | 112.7° | 109.4° |
| C15 | C29 | H1 | 108.0° | 109.5° |
| C15 | C29 | H2 | 108.1° | 109.5° |
| C14 | C7 | C8 | 122.2° | 120.8° |
| C14 | C7 | N2 | 118.3° | 116.3° |
| C7 | C14 | H11 | 108.1° | 109.5° |
| C7 | C14 | H12 | 108.1° | 109.4° |
| C7 | C8 | C15 | 123.7° | 123.0° |
| C8 | C7 | N2 | 119.5° | 122.9° |
| C8 | C15 | C23 | 107.2° | 109.8° |
| C8 | C15 | C30 | 110.0° | 109.4° |
| C7 | N2 | C6 | 119.5° | 118.4° |
| C7 | N2 | H24 | 120.2° | 120.8° |
| C23 | C15 | C30 | 110.9° | 109.5° |
| C15 | C23 | C6 | 123.4° | 121.9° |
| C15 | C23 | C5 | 127.1° | 130.2° |
| C15 | C30 | C28 | 123.6° | 120.0° |
| C15 | C30 | C24 | 119.0° | 120.0° |
| N2 | C6 | C23 | 125.9° | 120.6° |
| N2 | C6 | N1 | 126.4° | 131.1° |
| C6 | N2 | H24 | 120.2° | 120.8° |
| C6 | C23 | C5 | 109.5° | 107.9° |
| C23 | C6 | N1 | 107.7° | 108.2° |
| C23 | C5 | N | 105.8° | 107.7° |
| C23 | C5 | H22 | 127.1° | 126.2° |
| C6 | N1 | N | 107.9° | 108.1° |
| C30 | C28 | C27 | 120.7° | 120.0° |
| C28 | C30 | C24 | 117.4° | 120.0° |
| C30 | C28 | H5 | 119.6° | 119.9° |
| C28 | C27 | C26 | 120.5° | 120.0° |
| C27 | C28 | H5 | 119.7° | 120.1° |
| C28 | C27 | H6 | 119.7° | 120.0° |
| C5 | N | N1 | 109.1° | 108.1° |
| N | C5 | H22 | 127.1° | 126.1° |
| C5 | N | H21 | 125.4° | 125.9° |
| C30 | C24 | C25 | 122.1° | 120.0° |
| C30 | C24 | H7 | 119.0° | 119.9° |
| N1 | N | H21 | 125.4° | 126.0° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C27 | C26 | H3 | 120.2° | 120.0° |
| C26 | C27 | H6 | 119.8° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | H4 | 120.2° | 120.0° |
| C25 | C24 | H7 | 119.0° | 120.0° |
| C25 | C26 | H3 | 120.2° | 120.0° |
| C26 | C25 | H4 | 120.1° | 120.0° |
| H1 | C29 | H2 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.4° |
| H8 | C31 | H10 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.7° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C29 | C15 | H1 | 120.8° | 120.0° |
| C31 | C29 | C15 | H2 | 120.8° | 120.0° |
| C31 | C29 | C15 | C8 | 44.6° | 174.0° |
| C31 | C29 | C15 | C23 | 70.9° | 53.7° |
| C31 | C29 | C15 | C30 | 166.6° | 66.2° |
| C31 | C29 | H1 | H2 | 117.4° | 120.0° |
| C29 | C31 | H8 | H9 | 120.0° | 120.0° |
| C29 | C31 | H8 | H10 | 120.0° | 120.1° |
| C29 | C31 | H9 | H10 | 120.0° | 120.0° |
| C13 | C11 | C10 | C14 | 120.0° | 119.5° |
| C13 | C11 | C10 | C12 | 119.4° | 120.7° |
| C13 | C11 | C10 | C9 | 170.8° | 176.3° |
| C13 | C11 | C14 | C12 | 117.8° | 120.5° |
| C13 | C11 | C14 | C7 | 161.4° | 178.6° |
| C13 | C11 | C14 | H11 | 77.8° | 61.4° |
| C13 | C11 | C14 | H12 | 40.6° | 58.6° |
| C13 | C11 | C12 | H13 | 180.0° | 179.4° |
| C13 | C11 | C12 | H14 | 60.0° | 59.4° |
| C13 | C11 | C12 | H15 | 60.0° | 60.6° |
| C13 | C11 | C10 | H16 | 50.4° | 63.9° |
| C13 | C11 | C10 | H17 | 68.8° | 56.4° |
| C11 | C13 | H18 | H19 | 120.0° | 120.1° |
| C11 | C13 | H18 | H20 | 120.0° | 120.0° |
| C11 | C13 | H19 | H20 | 120.0° | 119.9° |
| C11 | C10 | C9 | H16 | 120.4° | 119.8° |
| C11 | C10 | C9 | H17 | 120.4° | 119.8° |
| C10 | C11 | C14 | C12 | 120.9° | 120.1° |
| C11 | C10 | C9 | O | 140.9° | 152.0° |
| C11 | C10 | C9 | C8 | 38.6° | 28.2° |
| C10 | C11 | C14 | C7 | 40.2° | 59.2° |
| C10 | C11 | C14 | H11 | 161.0° | 179.2° |
| C10 | C11 | C14 | H12 | 80.7° | 60.8° |
| C10 | C11 | C12 | H13 | 60.5° | 58.8° |
| C10 | C11 | C12 | H14 | 59.5° | 61.2° |
| C10 | C11 | C12 | H15 | 179.5° | 178.8° |
| C11 | C10 | H16 | H17 | 118.8° | 120.3° |
| C10 | C11 | C13 | H18 | 180.0° | 178.5° |
| C10 | C11 | C13 | H19 | 60.0° | 61.5° |
| C10 | C11 | C13 | H20 | 60.0° | 58.4° |
| C9 | C10 | C11 | C14 | 50.8° | 56.8° |
| C9 | C10 | C11 | C12 | 69.8° | 63.0° |
| C10 | C9 | O | C8 | 179.4° | 179.8° |
| C10 | C9 | C8 | C7 | 14.4° | 0.5° |
| C10 | C9 | C8 | C15 | 167.0° | 179.1° |
| C9 | C10 | H16 | H17 | 118.8° | 120.3° |
| C11 | C14 | C7 | H11 | 120.8° | 119.9° |
| C11 | C14 | C7 | H12 | 120.8° | 120.1° |
| C11 | C14 | C7 | C8 | 15.9° | 32.1° |
| C11 | C14 | C7 | N2 | 166.0° | 147.9° |
| C11 | C14 | H11 | H12 | 117.5° | 120.1° |
| C14 | C11 | C12 | H13 | 63.5° | 60.0° |
| C14 | C11 | C12 | H14 | 176.5° | 180.0° |
| C14 | C11 | C12 | H15 | 56.5° | 59.9° |
| C14 | C11 | C10 | H16 | 69.6° | 176.6° |
| C14 | C11 | C10 | H17 | 171.2° | 63.1° |
| C14 | C11 | C13 | H18 | 56.1° | 60.0° |
| C14 | C11 | C13 | H19 | 176.1° | 180.0° |
| C14 | C11 | C13 | H20 | 63.9° | 60.1° |
| C12 | C11 | C14 | C7 | 80.8° | 60.8° |
| C12 | C11 | C14 | H11 | 40.0° | 59.1° |
| C12 | C11 | C14 | H12 | 158.4° | 179.1° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 119.9° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | C10 | H16 | 169.8° | 56.8° |
| C12 | C11 | C10 | H17 | 50.6° | 177.1° |
| C12 | C11 | C13 | H18 | 61.0° | 60.6° |
| C12 | C11 | C13 | H19 | 59.1° | 59.5° |
| C12 | C11 | C13 | H20 | 179.0° | 179.4° |
| O | C9 | C8 | C7 | 165.1° | 179.3° |
| O | C9 | C8 | C15 | 13.5° | 1.0° |
| O | C9 | C10 | H16 | 98.8° | 32.2° |
| O | C9 | C10 | H17 | 20.4° | 88.2° |
| C9 | C8 | C15 | C29 | 59.1° | 74.9° |
| C9 | C8 | C7 | C14 | 2.6° | 1.5° |
| C9 | C8 | C7 | C15 | 178.5° | 179.6° |
| C9 | C8 | C7 | N2 | 179.4° | 178.5° |
| C9 | C8 | C15 | C23 | 174.8° | 165.0° |
| C9 | C8 | C15 | C30 | 64.5° | 44.9° |
| C8 | C9 | C10 | H16 | 81.8° | 148.0° |
| C8 | C9 | C10 | H17 | 159.0° | 91.7° |
| C29 | C15 | C8 | C7 | 122.5° | 105.4° |
| C29 | C15 | C8 | C23 | 115.8° | 120.1° |
| C29 | C15 | C8 | C30 | 123.6° | 119.8° |
| C29 | C15 | C23 | C30 | 123.7° | 119.9° |
| C29 | C15 | C23 | C6 | 122.6° | 106.0° |
| C29 | C15 | C23 | C5 | 56.6° | 73.8° |
| C29 | C15 | C30 | C28 | 8.9° | 7.3° |
| C29 | C15 | C30 | C24 | 169.4° | 173.5° |
| C15 | C29 | H1 | H2 | 117.4° | 120.0° |
| C15 | C29 | C31 | H8 | 180.0° | 52.4° |
| C15 | C29 | C31 | H9 | 60.0° | 67.6° |
| C15 | C29 | C31 | H10 | 60.0° | 172.4° |
| C14 | C7 | C8 | N2 | 178.1° | 180.0° |
| C14 | C7 | C8 | C15 | 179.0° | 178.8° |
| C14 | C7 | N2 | C6 | 171.7° | 165.6° |
| C7 | C14 | H11 | H12 | 117.5° | 119.9° |
| C14 | C7 | N2 | H24 | 8.3° | 14.2° |
| C7 | C8 | C15 | C23 | 6.7° | 14.7° |
| C7 | C8 | C15 | C30 | 113.9° | 134.8° |
| C8 | C7 | N2 | C6 | 6.4° | 14.5° |
| C8 | C7 | C14 | H11 | 136.7° | 152.1° |
| C8 | C7 | C14 | H12 | 104.9° | 88.0° |
| C8 | C7 | N2 | H24 | 173.6° | 165.8° |
| C15 | C8 | C7 | N2 | 0.9° | 1.1° |
| C8 | C15 | C23 | C30 | 120.1° | 120.1° |
| C8 | C15 | C23 | C6 | 6.4° | 14.0° |
| C8 | C15 | C23 | C5 | 172.9° | 166.2° |
| C8 | C15 | C30 | C28 | 129.8° | 112.5° |
| C8 | C15 | C30 | C24 | 48.4° | 66.7° |
| C8 | C15 | C29 | H1 | 165.4° | 66.0° |
| C8 | C15 | C29 | H2 | 76.2° | 54.0° |
| C7 | N2 | C6 | H24 | 180.0° | 179.7° |
| C7 | N2 | C6 | C23 | 7.2° | 14.6° |
| C7 | N2 | C6 | N1 | 172.4° | 165.2° |
| N2 | C7 | C14 | H11 | 45.2° | 28.0° |
| N2 | C7 | C14 | H12 | 73.2° | 92.0° |
| C15 | C23 | C6 | N2 | 0.0° | 0.5° |
| C15 | C23 | C6 | C5 | 179.4° | 179.8° |
| C15 | C23 | C6 | N1 | 179.7° | 179.6° |
| C23 | C15 | C30 | C28 | 111.8° | 127.3° |
| C15 | C23 | C5 | N | 179.2° | 179.6° |
| C23 | C15 | C30 | C24 | 70.0° | 53.6° |
| C23 | C15 | C29 | H1 | 49.9° | 173.7° |
| C23 | C15 | C29 | H2 | 168.3° | 66.3° |
| C15 | C23 | C5 | H22 | 0.8° | 0.3° |
| C30 | C15 | C23 | C6 | 113.7° | 134.1° |
| C30 | C15 | C23 | C5 | 67.0° | 46.1° |
| C15 | C30 | C28 | C24 | 178.3° | 179.2° |
| C15 | C30 | C28 | C27 | 179.7° | 180.0° |
| C15 | C30 | C24 | C25 | 178.7° | 179.8° |
| C30 | C15 | C29 | H1 | 72.6° | 53.8° |
| C30 | C15 | C29 | H2 | 45.8° | 173.8° |
| C15 | C30 | C28 | H5 | 0.3° | 0.0° |
| C15 | C30 | C24 | H7 | 1.2° | 0.4° |
| N2 | C6 | C23 | N1 | 179.7° | 179.8° |
| N2 | C6 | C23 | C5 | 179.4° | 179.7° |
| N2 | C6 | N1 | N | 179.1° | 179.7° |
| C6 | C23 | C5 | N | 0.2° | 0.1° |
| C23 | C6 | N1 | N | 0.6° | 0.1° |
| C6 | C23 | C5 | H22 | 179.9° | 180.0° |
| C23 | C6 | N2 | H24 | 172.8° | 165.7° |
| C5 | C23 | C6 | N1 | 0.3° | 0.2° |
| C23 | C5 | N | H22 | 180.0° | 179.9° |
| C23 | C5 | N | N1 | 0.5° | 0.1° |
| C23 | C5 | N | H21 | 179.5° | 179.9° |
| C6 | N1 | N | C5 | 0.7° | 0.1° |
| N1 | C6 | N2 | H24 | 7.6° | 14.5° |
| C6 | N1 | N | H21 | 179.3° | 180.0° |
| C30 | C28 | C27 | H5 | 180.0° | 180.0° |
| C30 | C28 | C27 | C26 | 2.5° | 0.5° |
| C28 | C30 | C24 | C25 | 0.4° | 0.6° |
| C30 | C28 | C27 | H6 | 177.5° | 179.4° |
| C28 | C30 | C24 | H7 | 179.6° | 179.5° |
| C27 | C28 | C30 | C24 | 2.0° | 0.8° |
| C28 | C27 | C26 | H6 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 1.3° | 0.0° |
| C28 | C27 | C26 | H3 | 178.7° | 179.8° |
| C5 | N | N1 | H21 | 180.0° | 180.0° |
| C30 | C24 | C25 | H7 | 180.0° | 179.9° |
| C30 | C24 | C25 | C26 | 0.8° | 0.1° |
| C30 | C24 | C25 | H4 | 179.2° | 179.9° |
| C24 | C30 | C28 | H5 | 178.0° | 179.2° |
| N1 | N | C5 | H22 | 179.5° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.2° |
| C27 | C26 | C25 | H3 | 180.0° | 179.8° |
| C27 | C26 | C25 | H4 | 179.7° | 179.8° |
| C26 | C27 | C28 | H5 | 177.5° | 179.5° |
| C24 | C25 | C26 | H4 | 180.0° | 180.0° |
| C24 | C25 | C26 | H3 | 179.7° | 180.0° |
| C25 | C26 | C27 | H6 | 178.7° | 180.0° |
| C26 | C25 | C24 | H7 | 179.3° | 180.0° |
| H1 | C29 | C31 | H8 | 59.2° | 67.6° |
| H1 | C29 | C31 | H9 | 60.8° | 172.4° |
| H1 | C29 | C31 | H10 | 179.2° | 52.4° |
| H2 | C29 | C31 | H8 | 59.2° | 172.4° |
| H2 | C29 | C31 | H9 | 179.2° | 52.4° |
| H2 | C29 | C31 | H10 | 60.8° | 67.6° |
| H3 | C26 | C25 | H4 | 0.3° | 0.1° |
| H3 | C26 | C27 | H6 | 1.3° | 0.2° |
| H4 | C25 | C24 | H7 | 0.7° | 0.0° |
| H5 | C28 | C27 | H6 | 2.5° | 0.6° |
| H8 | C31 | H9 | H10 | 120.0° | 120.0° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H18 | C13 | H19 | H20 | 120.0° | 120.0° |
| H22 | C5 | N | H21 | 0.5° | 0.0° |
