YM5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.42Å | |
| C02 | C03 | sing | 1.53Å | 1.59Å | |
| C03 | C04 | sing | 1.53Å | 1.49Å | |
| C03 | O25 | sing | 1.43Å | 1.42Å | |
| C04 | N05 | sing | 1.47Å | 1.41Å | |
| N05 | C06 | sing | 1.38Å | 1.44Å | |
| N05 | C23 | sing | 1.47Å | 1.41Å | |
| C06 | N07 | sing | 1.33Å | 1.37Å | Aromatic |
| C06 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| N07 | C08 | doub | 1.32Å | 1.38Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.33Å | Aromatic |
| N09 | C10 | doub | 1.33Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.37Å | 1.33Å | Aromatic |
| C10 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| N11 | C12 | sing | 1.37Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.40Å | |
| C13 | C22 | sing | 1.47Å | 1.45Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C21 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.57Å | |
| C18 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | O25 | sing | 1.43Å | 1.41Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 117.1° | 109.5° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C02 | N01 | H012 | 109.5° | 111.0° |
| N01 | C02 | H021 | 107.5° | 109.5° |
| N01 | C02 | H022 | 107.5° | 109.4° |
| C02 | C03 | C04 | 110.9° | 109.5° |
| C02 | C03 | O25 | 111.0° | 109.5° |
| C03 | C02 | H021 | 107.5° | 109.5° |
| C03 | C02 | H022 | 107.5° | 109.4° |
| C02 | C03 | H03 | 106.6° | 109.4° |
| C04 | C03 | O25 | 111.7° | 109.3° |
| C03 | C04 | N05 | 108.5° | 109.3° |
| C04 | C03 | H03 | 107.7° | 109.5° |
| C03 | C04 | H041 | 109.7° | 109.5° |
| C03 | C04 | H042 | 109.7° | 109.5° |
| C03 | O25 | C24 | 113.4° | 113.7° |
| O25 | C03 | H03 | 108.7° | 109.6° |
| C04 | N05 | C06 | 110.0° | 111.0° |
| C04 | N05 | C23 | 109.3° | 110.7° |
| N05 | C04 | H041 | 109.7° | 109.5° |
| N05 | C04 | H042 | 109.7° | 109.5° |
| C06 | N05 | C23 | 110.8° | 111.0° |
| N05 | C06 | N07 | 117.6° | 120.8° |
| N05 | C06 | C22 | 123.8° | 120.8° |
| N05 | C23 | C24 | 109.5° | 109.2° |
| N05 | C23 | H231 | 109.5° | 109.5° |
| N05 | C23 | H232 | 109.5° | 109.5° |
| N07 | C06 | C22 | 118.6° | 118.3° |
| C06 | N07 | C08 | 123.0° | 121.0° |
| C06 | C22 | C10 | 117.5° | 118.8° |
| C06 | C22 | C13 | 138.3° | 135.1° |
| N07 | C08 | N09 | 119.4° | 122.7° |
| N07 | C08 | H08 | 120.3° | 118.7° |
| C08 | N09 | C10 | 120.9° | 120.7° |
| N09 | C08 | H08 | 120.3° | 118.6° |
| N09 | C10 | N11 | 129.3° | 134.1° |
| N09 | C10 | C22 | 120.6° | 118.5° |
| N11 | C10 | C22 | 110.0° | 107.4° |
| C10 | N11 | C12 | 109.3° | 110.3° |
| C10 | N11 | H11 | 125.4° | 124.9° |
| C10 | C22 | C13 | 104.2° | 106.1° |
| N11 | C12 | C13 | 107.6° | 109.6° |
| C12 | N11 | H11 | 125.3° | 124.8° |
| N11 | C12 | H12 | 126.2° | 125.2° |
| C12 | C13 | C14 | 124.4° | 126.7° |
| C12 | C13 | C22 | 108.8° | 106.5° |
| C13 | C12 | H12 | 126.2° | 125.2° |
| C14 | C13 | C22 | 126.8° | 126.7° |
| C13 | C14 | C15 | 119.8° | 120.1° |
| C13 | C14 | C21 | 120.9° | 120.1° |
| C15 | C14 | C21 | 119.2° | 119.7° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H15 | 119.9° | 120.1° |
| C14 | C21 | C18 | 120.5° | 119.9° |
| C14 | C21 | H21 | 119.8° | 120.1° |
| C15 | C16 | C17 | 120.6° | 120.1° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | H16 | 119.7° | 119.9° |
| C16 | C17 | C18 | 119.5° | 120.3° |
| C17 | C16 | H16 | 119.8° | 120.0° |
| C16 | C17 | H17 | 120.3° | 119.9° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C17 | C18 | C21 | 120.1° | 120.1° |
| C18 | C17 | H17 | 120.3° | 119.8° |
| C19 | C18 | C21 | 120.0° | 119.9° |
| C18 | C19 | O20 | 118.0° | 109.4° |
| C18 | C19 | H191 | 107.3° | 109.5° |
| C18 | C19 | H192 | 107.3° | 109.4° |
| C18 | C21 | H21 | 119.7° | 120.0° |
| O20 | C19 | H191 | 107.3° | 109.5° |
| O20 | C19 | H192 | 107.3° | 109.5° |
| C19 | O20 | H20 | 109.5° | 114.0° |
| C23 | C24 | O25 | 111.9° | 109.3° |
| C24 | C23 | H231 | 109.5° | 109.5° |
| C24 | C23 | H232 | 109.5° | 109.5° |
| C23 | C24 | H241 | 108.9° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| O25 | C24 | H241 | 108.9° | 109.5° |
| O25 | C24 | H242 | 108.9° | 109.5° |
| H011 | N01 | H012 | 109.5° | 111.0° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.6° |
| H231 | C23 | H232 | 109.4° | 109.6° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H021 | 121.1° | 120.0° |
| N01 | C02 | C03 | H022 | 121.1° | 119.9° |
| N01 | C02 | C03 | C04 | 172.8° | 180.0° |
| N01 | C02 | C03 | O25 | 62.3° | 60.2° |
| C02 | N01 | H011 | H012 | 120.0° | 124.0° |
| N01 | C02 | H021 | H022 | 116.5° | 120.0° |
| N01 | C02 | C03 | H03 | 55.9° | 60.0° |
| C02 | C03 | C04 | O25 | 124.4° | 120.0° |
| C02 | C03 | C04 | H03 | 116.3° | 120.0° |
| C02 | C03 | O25 | H03 | 117.0° | 120.1° |
| C02 | C03 | C04 | N05 | 178.5° | 176.8° |
| C02 | C03 | O25 | C24 | 174.6° | 178.6° |
| C03 | C02 | N01 | H011 | 180.0° | 180.0° |
| C03 | C02 | N01 | H012 | 60.0° | 56.1° |
| C03 | C02 | H021 | H022 | 116.5° | 120.0° |
| C02 | C03 | C04 | H041 | 58.6° | 63.2° |
| C02 | C03 | C04 | H042 | 61.7° | 56.9° |
| C04 | C03 | O25 | H03 | 118.7° | 120.0° |
| C03 | C04 | N05 | H041 | 119.9° | 120.0° |
| C03 | C04 | N05 | H042 | 119.9° | 119.9° |
| C03 | C04 | N05 | C06 | 174.3° | 177.6° |
| C03 | C04 | N05 | C23 | 63.9° | 58.6° |
| C04 | C03 | O25 | C24 | 50.3° | 58.7° |
| C04 | C03 | C02 | H021 | 51.7° | 60.0° |
| C04 | C03 | C02 | H022 | 66.1° | 60.1° |
| C03 | C04 | H041 | H042 | 120.5° | 120.1° |
| O25 | C03 | C04 | N05 | 57.1° | 56.9° |
| C03 | O25 | C24 | C23 | 48.8° | 58.7° |
| O25 | C03 | C02 | H021 | 176.6° | 179.8° |
| O25 | C03 | C02 | H022 | 58.8° | 59.8° |
| O25 | C03 | C04 | H041 | 176.9° | 176.8° |
| O25 | C03 | C04 | H042 | 62.8° | 63.1° |
| C03 | O25 | C24 | H241 | 71.6° | 61.3° |
| C03 | O25 | C24 | H242 | 169.2° | 178.6° |
| C04 | N05 | C06 | C23 | 121.0° | 123.6° |
| C04 | N05 | C06 | N07 | 1.3° | 66.3° |
| C04 | N05 | C06 | C22 | 179.3° | 114.1° |
| C04 | N05 | C23 | C24 | 62.9° | 58.6° |
| N05 | C04 | C03 | H03 | 62.2° | 63.2° |
| N05 | C04 | H041 | H042 | 120.4° | 120.1° |
| C04 | N05 | C23 | H231 | 177.1° | 178.5° |
| C04 | N05 | C23 | H232 | 57.1° | 61.3° |
| N05 | C06 | N07 | C22 | 179.4° | 179.7° |
| N05 | C06 | N07 | C08 | 180.0° | 180.0° |
| N05 | C06 | C22 | C10 | 179.9° | 179.8° |
| N05 | C06 | C22 | C13 | 0.8° | 0.7° |
| C06 | N05 | C23 | C24 | 175.7° | 177.6° |
| C06 | N05 | C04 | H041 | 54.4° | 57.7° |
| C06 | N05 | C04 | H042 | 65.9° | 62.5° |
| C06 | N05 | C23 | H231 | 55.7° | 57.7° |
| C06 | N05 | C23 | H232 | 64.2° | 62.5° |
| C23 | N05 | C06 | N07 | 122.3° | 57.4° |
| C23 | N05 | C06 | C22 | 58.3° | 122.3° |
| N05 | C23 | C24 | H231 | 120.0° | 119.9° |
| N05 | C23 | C24 | H232 | 120.0° | 119.9° |
| N05 | C23 | C24 | O25 | 54.6° | 56.9° |
| C23 | N05 | C04 | H041 | 176.3° | 178.6° |
| C23 | N05 | C04 | H042 | 56.0° | 61.3° |
| N05 | C23 | H231 | H232 | 120.0° | 120.1° |
| N05 | C23 | C24 | H241 | 65.8° | 63.1° |
| N05 | C23 | C24 | H242 | 175.0° | 176.8° |
| C06 | N07 | C08 | N09 | 0.3° | 0.0° |
| N07 | C06 | C22 | C10 | 0.5° | 0.5° |
| N07 | C06 | C22 | C13 | 179.8° | 179.6° |
| C06 | N07 | C08 | H08 | 179.7° | 179.9° |
| C22 | C06 | N07 | C08 | 0.6° | 0.3° |
| C06 | C22 | C10 | N09 | 0.2° | 0.5° |
| C06 | C22 | C10 | N11 | 179.8° | 179.6° |
| C06 | C22 | C10 | C13 | 179.5° | 179.3° |
| C06 | C22 | C13 | C12 | 180.0° | 179.5° |
| C06 | C22 | C13 | C14 | 2.5° | 0.8° |
| N07 | C08 | N09 | H08 | 180.0° | 179.9° |
| N07 | C08 | N09 | C10 | 0.0° | 0.1° |
| C08 | N09 | C10 | N11 | 180.0° | 179.9° |
| C08 | N09 | C10 | C22 | 0.1° | 0.2° |
| N09 | C10 | N11 | C22 | 179.9° | 179.9° |
| N09 | C10 | N11 | C12 | 179.9° | 179.9° |
| N09 | C10 | C22 | C13 | 179.7° | 179.8° |
| N09 | C10 | N11 | H11 | 0.1° | 0.1° |
| C10 | N09 | C08 | H08 | 180.0° | 180.0° |
| C10 | N11 | C12 | H11 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 0.6° | 0.1° |
| N11 | C10 | C22 | C13 | 0.3° | 0.3° |
| C10 | N11 | C12 | H12 | 179.4° | 180.0° |
| C22 | C10 | N11 | C12 | 0.2° | 0.2° |
| C10 | C22 | C13 | C12 | 0.7° | 0.3° |
| C10 | C22 | C13 | C14 | 178.2° | 179.9° |
| C22 | C10 | N11 | H11 | 179.8° | 179.8° |
| N11 | C12 | C13 | H12 | 180.0° | 179.9° |
| N11 | C12 | C13 | C14 | 178.4° | 180.0° |
| N11 | C12 | C13 | C22 | 0.8° | 0.2° |
| C12 | C13 | C14 | C22 | 177.2° | 179.7° |
| C12 | C13 | C14 | C15 | 43.0° | 125.1° |
| C12 | C13 | C14 | C21 | 132.5° | 55.2° |
| C13 | C12 | N11 | H11 | 179.4° | 180.0° |
| C13 | C14 | C15 | C21 | 175.6° | 179.7° |
| C13 | C14 | C15 | C16 | 177.9° | 180.0° |
| C13 | C14 | C21 | C18 | 178.2° | 179.8° |
| C13 | C14 | C15 | H15 | 2.1° | 0.1° |
| C13 | C14 | C21 | H21 | 1.8° | 0.1° |
| C14 | C13 | C12 | H12 | 1.6° | 0.1° |
| C22 | C13 | C14 | C15 | 139.8° | 54.6° |
| C22 | C13 | C14 | C21 | 44.7° | 125.1° |
| C22 | C13 | C12 | H12 | 179.2° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.0° | 0.1° |
| C15 | C14 | C21 | C18 | 2.7° | 0.5° |
| C15 | C14 | C21 | H21 | 177.3° | 179.6° |
| C14 | C15 | C16 | H16 | 179.0° | 180.0° |
| C21 | C14 | C15 | C16 | 2.3° | 0.3° |
| C14 | C21 | C18 | C17 | 1.6° | 0.5° |
| C14 | C21 | C18 | C19 | 178.5° | 179.7° |
| C14 | C21 | C18 | H21 | 180.0° | 179.8° |
| C21 | C14 | C15 | H15 | 177.7° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C18 | C21 | 0.2° | 0.2° |
| C17 | C16 | C15 | H15 | 179.0° | 180.0° |
| C17 | C18 | C19 | C21 | 179.9° | 179.8° |
| C17 | C18 | C19 | O20 | 107.2° | 90.0° |
| C17 | C18 | C21 | H21 | 178.4° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H191 | 14.0° | 150.0° |
| C17 | C18 | C19 | H192 | 131.6° | 30.0° |
| C18 | C19 | O20 | H191 | 121.2° | 120.0° |
| C18 | C19 | O20 | H192 | 121.2° | 120.0° |
| C19 | C18 | C21 | H21 | 1.5° | 0.1° |
| C19 | C18 | C17 | H17 | 0.1° | 0.0° |
| C18 | C19 | H191 | H192 | 116.2° | 120.0° |
| C18 | C19 | O20 | H20 | 180.0° | 180.0° |
| C21 | C18 | C19 | O20 | 72.6° | 89.8° |
| C21 | C18 | C17 | H17 | 179.7° | 179.8° |
| C21 | C18 | C19 | H191 | 166.2° | 30.3° |
| C21 | C18 | C19 | H192 | 48.6° | 150.3° |
| O20 | C19 | H191 | H192 | 116.1° | 120.1° |
| C23 | C24 | O25 | H241 | 120.4° | 120.0° |
| C23 | C24 | O25 | H242 | 120.4° | 119.9° |
| C24 | C23 | H231 | H232 | 120.0° | 120.1° |
| C23 | C24 | H241 | H242 | 118.9° | 120.1° |
| C24 | O25 | C03 | H03 | 68.4° | 61.3° |
| O25 | C24 | C23 | H231 | 174.6° | 176.8° |
| O25 | C24 | C23 | H232 | 65.4° | 63.0° |
| O25 | C24 | H241 | H242 | 118.9° | 120.1° |
| H011 | N01 | C02 | H021 | 58.9° | 60.0° |
| H011 | N01 | C02 | H022 | 58.9° | 60.0° |
| H012 | N01 | C02 | H021 | 61.1° | 64.0° |
| H012 | N01 | C02 | H022 | 178.9° | 176.0° |
| H021 | C02 | C03 | H03 | 65.2° | 60.0° |
| H022 | C02 | C03 | H03 | 177.0° | 179.9° |
| H03 | C03 | C04 | H041 | 57.7° | 56.8° |
| H03 | C03 | C04 | H042 | 177.9° | 176.9° |
| H231 | C23 | C24 | H241 | 54.2° | 56.8° |
| H231 | C23 | C24 | H242 | 65.0° | 63.3° |
| H232 | C23 | C24 | H241 | 174.2° | 177.0° |
| H232 | C23 | C24 | H242 | 55.0° | 56.9° |
| H15 | C15 | C16 | H16 | 1.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H191 | C19 | O20 | H20 | 58.8° | 60.0° |
| H192 | C19 | O20 | H20 | 58.7° | 60.0° |
| H11 | N11 | C12 | H12 | 0.6° | 0.1° |
