GM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | doub | 1.31Å | 1.32Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N16 | sing | 1.47Å | 1.20Å | |
| N16 | C15 | sing | 1.47Å | 1.44Å | |
| N16 | C03 | sing | 1.46Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C03 | C04 | sing | 1.52Å | 1.65Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C04 | C05 | sing | 1.51Å | 1.64Å | |
| C02 | C01 | sing | 1.53Å | 1.61Å | |
| C02 | C12 | sing | 1.53Å | 1.48Å | |
| C14 | C12 | sing | 1.54Å | 1.47Å | |
| C12 | C06 | sing | 1.51Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C05 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.40Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| O09 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | C20 | 119.5° | 120.0° |
| C21 | C19 | C18 | 120.1° | 119.9° |
| C19 | C21 | H24 | 109.5° | 109.4° |
| C19 | C21 | H25 | 109.4° | 109.5° |
| C19 | C21 | H26 | 109.5° | 109.4° |
| C20 | C19 | C18 | 120.3° | 120.1° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C19 | C20 | H22 | 109.4° | 109.5° |
| C19 | C20 | H23 | 109.5° | 109.5° |
| C19 | C18 | C17 | 120.5° | 119.9° |
| C19 | C18 | H20 | 119.7° | 120.1° |
| C18 | C17 | N16 | 111.8° | 109.5° |
| C18 | C17 | H18 | 108.9° | 109.5° |
| C18 | C17 | H19 | 108.9° | 109.5° |
| C17 | C18 | H20 | 119.8° | 120.0° |
| C17 | N16 | C15 | 108.7° | 111.0° |
| C17 | N16 | C03 | 111.9° | 111.0° |
| N16 | C17 | H18 | 108.9° | 109.4° |
| N16 | C17 | H19 | 108.9° | 109.5° |
| C15 | N16 | C03 | 115.1° | 113.1° |
| N16 | C15 | C14 | 116.3° | 109.5° |
| N16 | C15 | H10 | 107.7° | 109.4° |
| N16 | C15 | H11 | 107.7° | 109.5° |
| N16 | C03 | C04 | 111.3° | 112.4° |
| N16 | C03 | C02 | 111.4° | 111.5° |
| N16 | C03 | H15 | 108.6° | 107.1° |
| C15 | C14 | C12 | 112.5° | 107.7° |
| C15 | C14 | H8 | 108.7° | 109.8° |
| C15 | C14 | H9 | 108.7° | 109.9° |
| C14 | C15 | H10 | 107.8° | 109.5° |
| C14 | C15 | H11 | 107.7° | 109.5° |
| C04 | C03 | C02 | 110.9° | 109.9° |
| C03 | C04 | C05 | 110.3° | 112.0° |
| C03 | C04 | H2 | 109.3° | 109.0° |
| C03 | C04 | H3 | 109.3° | 108.9° |
| C04 | C03 | H15 | 106.3° | 107.8° |
| C03 | C02 | C01 | 109.5° | 109.7° |
| C03 | C02 | C12 | 112.3° | 108.2° |
| C03 | C02 | H1 | 108.8° | 109.7° |
| C02 | C03 | H15 | 108.2° | 107.8° |
| C04 | C05 | C06 | 120.0° | 122.9° |
| C04 | C05 | C11 | 119.7° | 117.5° |
| C05 | C04 | H2 | 109.3° | 109.0° |
| C05 | C04 | H3 | 109.3° | 109.0° |
| C01 | C02 | C12 | 109.8° | 109.7° |
| C01 | C02 | H1 | 107.3° | 109.7° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| C02 | C12 | C14 | 106.3° | 107.9° |
| C02 | C12 | C06 | 114.7° | 109.3° |
| C02 | C12 | C13 | 110.7° | 110.6° |
| C12 | C02 | H1 | 109.0° | 109.7° |
| C14 | C12 | C06 | 106.6° | 107.3° |
| C14 | C12 | C13 | 109.0° | 111.1° |
| C12 | C14 | H8 | 108.7° | 109.9° |
| C12 | C14 | H9 | 108.7° | 109.8° |
| C06 | C12 | C13 | 109.3° | 110.5° |
| C12 | C06 | C05 | 121.9° | 122.1° |
| C12 | C06 | C07 | 118.3° | 117.9° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.4° | 109.5° |
| C06 | C05 | C11 | 120.3° | 119.5° |
| C05 | C06 | C07 | 119.8° | 120.1° |
| C05 | C11 | C10 | 119.6° | 120.6° |
| C05 | C11 | H4 | 120.2° | 119.7° |
| C06 | C07 | C08 | 119.8° | 120.4° |
| C06 | C07 | H16 | 120.1° | 119.8° |
| C11 | C10 | C08 | 120.4° | 119.8° |
| C10 | C11 | H4 | 120.2° | 119.6° |
| C11 | C10 | H17 | 119.8° | 120.1° |
| C07 | C08 | C10 | 120.2° | 119.6° |
| C07 | C08 | O09 | 119.6° | 120.2° |
| C08 | C07 | H16 | 120.1° | 119.8° |
| C10 | C08 | O09 | 120.2° | 120.2° |
| C08 | C10 | H17 | 119.8° | 120.0° |
| C08 | O09 | H28 | 109.5° | 114.0° |
| H2 | C04 | H3 | 109.5° | 109.0° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.8° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H23 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H26 | 109.4° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | C20 | C18 | 179.9° | 179.9° |
| C21 | C19 | C18 | C17 | 179.9° | 173.8° |
| C21 | C19 | C18 | H20 | 0.1° | 6.1° |
| C21 | C19 | C20 | H21 | 180.0° | 95.0° |
| C21 | C19 | C20 | H22 | 60.0° | 25.0° |
| C21 | C19 | C20 | H23 | 60.0° | 145.1° |
| C19 | C21 | H24 | H25 | 120.0° | 120.0° |
| C19 | C21 | H24 | H26 | 120.0° | 119.9° |
| C19 | C21 | H25 | H26 | 120.0° | 120.0° |
| C20 | C19 | C18 | C17 | 0.0° | 6.3° |
| C20 | C19 | C18 | H20 | 180.0° | 173.8° |
| C19 | C20 | H21 | H22 | 120.0° | 120.0° |
| C19 | C20 | H21 | H23 | 120.0° | 119.9° |
| C19 | C20 | H22 | H23 | 120.0° | 120.1° |
| C20 | C19 | C21 | H24 | 180.0° | 90.0° |
| C20 | C19 | C21 | H25 | 60.0° | 149.9° |
| C20 | C19 | C21 | H26 | 60.0° | 29.9° |
| C19 | C18 | C17 | H20 | 180.0° | 179.9° |
| C19 | C18 | C17 | N16 | 168.1° | 123.8° |
| C19 | C18 | C17 | H18 | 47.7° | 3.8° |
| C19 | C18 | C17 | H19 | 71.5° | 116.2° |
| C18 | C19 | C20 | H21 | 0.1° | 85.1° |
| C18 | C19 | C20 | H22 | 119.9° | 154.9° |
| C18 | C19 | C20 | H23 | 120.1° | 34.8° |
| C18 | C19 | C21 | H24 | 0.1° | 90.1° |
| C18 | C19 | C21 | H25 | 120.1° | 29.9° |
| C18 | C19 | C21 | H26 | 119.9° | 150.0° |
| C18 | C17 | N16 | H18 | 120.4° | 120.0° |
| C18 | C17 | N16 | H19 | 120.4° | 120.0° |
| C18 | C17 | N16 | C15 | 155.7° | 66.1° |
| C18 | C17 | N16 | C03 | 76.1° | 167.3° |
| C18 | C17 | H18 | H19 | 118.9° | 120.0° |
| C17 | N16 | C15 | C03 | 126.3° | 125.5° |
| C17 | N16 | C15 | C14 | 162.7° | 176.4° |
| C17 | N16 | C03 | C04 | 44.8° | 58.2° |
| C17 | N16 | C03 | C02 | 169.1° | 177.9° |
| C17 | N16 | C15 | H10 | 41.7° | 56.4° |
| C17 | N16 | C15 | H11 | 76.3° | 63.6° |
| C17 | N16 | C03 | H15 | 71.8° | 60.1° |
| N16 | C17 | H18 | H19 | 118.9° | 120.0° |
| N16 | C17 | C18 | H20 | 11.9° | 56.2° |
| N16 | C15 | C14 | H10 | 121.0° | 120.0° |
| N16 | C15 | C14 | H11 | 121.0° | 120.1° |
| C15 | N16 | C03 | C04 | 79.9° | 67.3° |
| C15 | N16 | C03 | C02 | 44.4° | 56.6° |
| N16 | C15 | C14 | C12 | 42.3° | 60.7° |
| N16 | C15 | C14 | H8 | 162.8° | 58.8° |
| N16 | C15 | C14 | H9 | 78.1° | 179.7° |
| N16 | C15 | H10 | H11 | 116.9° | 120.0° |
| C15 | N16 | C03 | H15 | 163.5° | 174.4° |
| C15 | N16 | C17 | H18 | 83.9° | 173.9° |
| C15 | N16 | C17 | H19 | 35.3° | 53.9° |
| C03 | N16 | C15 | C14 | 36.4° | 58.1° |
| N16 | C03 | C04 | C02 | 124.6° | 124.8° |
| N16 | C03 | C04 | H15 | 118.1° | 117.9° |
| N16 | C03 | C02 | H15 | 119.3° | 117.4° |
| N16 | C03 | C04 | C05 | 83.0° | 80.3° |
| N16 | C03 | C02 | C01 | 177.2° | 176.9° |
| N16 | C03 | C02 | C12 | 60.5° | 57.2° |
| N16 | C03 | C02 | H1 | 60.2° | 62.5° |
| N16 | C03 | C04 | H2 | 156.9° | 40.4° |
| N16 | C03 | C04 | H3 | 37.1° | 159.2° |
| C03 | N16 | C15 | H10 | 84.6° | 178.1° |
| C03 | N16 | C15 | H11 | 157.4° | 61.9° |
| C03 | N16 | C17 | H18 | 44.2° | 47.3° |
| C03 | N16 | C17 | H19 | 163.5° | 72.7° |
| C15 | C14 | C12 | C02 | 53.8° | 63.1° |
| C15 | C14 | C12 | H8 | 120.4° | 119.5° |
| C15 | C14 | C12 | H9 | 120.5° | 119.6° |
| C15 | C14 | C12 | C06 | 68.9° | 54.6° |
| C15 | C14 | C12 | C13 | 173.2° | 175.6° |
| C15 | C14 | H8 | H9 | 118.6° | 120.9° |
| C14 | C15 | H10 | H11 | 116.9° | 120.0° |
| C04 | C03 | C02 | H15 | 116.2° | 117.3° |
| C03 | C04 | C05 | H2 | 120.1° | 120.7° |
| C03 | C04 | C05 | H3 | 120.1° | 120.5° |
| C04 | C03 | C02 | C01 | 58.3° | 51.6° |
| C04 | C03 | C02 | C12 | 64.0° | 68.1° |
| C03 | C04 | C05 | C06 | 11.1° | 12.3° |
| C03 | C04 | C05 | C11 | 168.7° | 167.8° |
| C04 | C03 | C02 | H1 | 175.3° | 172.2° |
| C03 | C04 | H2 | H3 | 119.6° | 118.7° |
| C02 | C03 | C04 | C05 | 41.6° | 44.6° |
| C03 | C02 | C01 | C12 | 123.7° | 118.8° |
| C03 | C02 | C01 | H1 | 118.0° | 120.6° |
| C03 | C02 | C12 | H1 | 120.7° | 119.7° |
| C03 | C02 | C12 | C14 | 64.9° | 60.8° |
| C03 | C02 | C12 | C06 | 52.6° | 55.6° |
| C03 | C02 | C12 | C13 | 176.9° | 177.5° |
| C02 | C03 | C04 | H2 | 78.5° | 165.3° |
| C02 | C03 | C04 | H3 | 161.7° | 76.0° |
| C03 | C02 | C01 | H12 | 180.0° | 178.8° |
| C03 | C02 | C01 | H13 | 60.0° | 61.2° |
| C03 | C02 | C01 | H14 | 60.0° | 58.8° |
| C04 | C05 | C06 | C12 | 0.2° | 2.1° |
| C04 | C05 | C06 | C11 | 179.8° | 180.0° |
| C04 | C05 | C06 | C07 | 179.7° | 178.9° |
| C04 | C05 | C11 | C10 | 179.6° | 179.4° |
| C05 | C04 | H2 | H3 | 119.6° | 118.8° |
| C04 | C05 | C11 | H4 | 0.4° | 0.6° |
| C05 | C04 | C03 | H15 | 158.9° | 161.9° |
| C01 | C02 | C12 | H1 | 117.3° | 120.6° |
| C01 | C02 | C12 | C14 | 173.1° | 179.4° |
| C01 | C02 | C12 | C06 | 69.5° | 64.1° |
| C01 | C02 | C12 | C13 | 54.8° | 57.8° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 57.9° | 65.7° |
| C02 | C12 | C14 | C06 | 122.8° | 117.7° |
| C02 | C12 | C14 | C13 | 119.4° | 121.3° |
| C02 | C12 | C06 | C13 | 125.0° | 121.9° |
| C02 | C12 | C06 | C05 | 19.6° | 24.1° |
| C02 | C12 | C06 | C07 | 160.8° | 156.9° |
| C02 | C12 | C13 | H5 | 180.0° | 59.9° |
| C02 | C12 | C13 | H6 | 60.0° | 180.0° |
| C02 | C12 | C13 | H7 | 60.0° | 60.0° |
| C02 | C12 | C14 | H8 | 174.3° | 56.4° |
| C02 | C12 | C14 | H9 | 66.6° | 177.3° |
| C12 | C02 | C01 | H12 | 56.3° | 60.0° |
| C12 | C02 | C01 | H13 | 176.3° | 180.0° |
| C12 | C02 | C01 | H14 | 63.7° | 60.0° |
| C12 | C02 | C03 | H15 | 179.9° | 174.6° |
| C14 | C12 | C06 | C13 | 117.7° | 121.3° |
| C14 | C12 | C06 | C05 | 97.7° | 92.7° |
| C14 | C12 | C06 | C07 | 81.9° | 86.3° |
| C14 | C12 | C02 | H1 | 55.8° | 58.9° |
| C14 | C12 | C13 | H5 | 63.5° | 179.7° |
| C14 | C12 | C13 | H6 | 56.6° | 60.3° |
| C14 | C12 | C13 | H7 | 176.6° | 59.7° |
| C12 | C14 | H8 | H9 | 118.6° | 120.9° |
| C12 | C14 | C15 | H10 | 78.7° | 179.3° |
| C12 | C14 | C15 | H11 | 163.3° | 59.3° |
| C12 | C06 | C05 | C07 | 179.5° | 179.0° |
| C12 | C06 | C05 | C11 | 179.6° | 178.0° |
| C12 | C06 | C07 | C08 | 179.8° | 178.2° |
| C06 | C12 | C02 | H1 | 173.3° | 175.3° |
| C06 | C12 | C13 | H5 | 52.7° | 61.3° |
| C06 | C12 | C13 | H6 | 172.7° | 58.8° |
| C06 | C12 | C13 | H7 | 67.3° | 178.7° |
| C06 | C12 | C14 | H8 | 51.5° | 174.1° |
| C06 | C12 | C14 | H9 | 170.6° | 65.0° |
| C12 | C06 | C07 | H16 | 0.1° | 1.7° |
| C13 | C12 | C06 | C05 | 144.7° | 146.0° |
| C13 | C12 | C06 | C07 | 35.8° | 35.0° |
| C13 | C12 | C02 | H1 | 62.5° | 62.8° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H7 | 120.0° | 120.0° |
| C12 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | C12 | C14 | H8 | 66.4° | 64.9° |
| C13 | C12 | C14 | H9 | 52.7° | 56.0° |
| C06 | C05 | C11 | C10 | 0.2° | 0.6° |
| C05 | C06 | C07 | C08 | 0.3° | 0.8° |
| C06 | C05 | C04 | H2 | 109.1° | 133.0° |
| C06 | C05 | C04 | H3 | 131.2° | 108.2° |
| C06 | C05 | C11 | H4 | 179.9° | 179.4° |
| C05 | C06 | C07 | H16 | 179.7° | 179.3° |
| C11 | C05 | C06 | C07 | 0.1° | 1.0° |
| C05 | C11 | C10 | H4 | 180.0° | 180.0° |
| C05 | C11 | C10 | C08 | 0.4° | 0.1° |
| C11 | C05 | C04 | H2 | 71.1° | 47.1° |
| C11 | C05 | C04 | H3 | 48.6° | 71.7° |
| C05 | C11 | C10 | H17 | 179.5° | 179.9° |
| C06 | C07 | C08 | H16 | 180.0° | 180.0° |
| C06 | C07 | C08 | C10 | 0.6° | 0.1° |
| C06 | C07 | C08 | O09 | 179.7° | 179.9° |
| C11 | C10 | C08 | C07 | 0.6° | 0.4° |
| C11 | C10 | C08 | H17 | 180.0° | 180.0° |
| C11 | C10 | C08 | O09 | 179.7° | 179.7° |
| C07 | C08 | C10 | O09 | 179.1° | 180.0° |
| C07 | C08 | C10 | H17 | 179.4° | 179.7° |
| C07 | C08 | O09 | H28 | 180.0° | 90.0° |
| C08 | C10 | C11 | H4 | 179.6° | 179.9° |
| C10 | C08 | C07 | H16 | 179.4° | 180.0° |
| C10 | C08 | O09 | H28 | 0.9° | 90.0° |
| O09 | C08 | C07 | H16 | 0.3° | 0.1° |
| O09 | C08 | C10 | H17 | 0.2° | 0.3° |
| H1 | C02 | C01 | H12 | 62.0° | 60.6° |
| H1 | C02 | C01 | H13 | 58.0° | 59.4° |
| H1 | C02 | C01 | H14 | 178.0° | 179.4° |
| H1 | C02 | C03 | H15 | 59.2° | 54.9° |
| H2 | C04 | C03 | H15 | 38.8° | 77.4° |
| H3 | C04 | C03 | H15 | 81.0° | 41.3° |
| H4 | C11 | C10 | H17 | 0.4° | 0.1° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H8 | C14 | C15 | H10 | 41.8° | 61.1° |
| H8 | C14 | C15 | H11 | 76.3° | 178.9° |
| H9 | C14 | C15 | H10 | 160.9° | 59.7° |
| H9 | C14 | C15 | H11 | 42.8° | 60.3° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H18 | C17 | C18 | H20 | 132.3° | 176.1° |
| H19 | C17 | C18 | H20 | 108.5° | 63.8° |
| H21 | C20 | H22 | H23 | 120.0° | 120.0° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
