I14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | O08 | sing | 1.43Å | 1.40Å | |
| O08 | C07 | sing | 1.43Å | 1.38Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C10 | sing | 1.37Å | 1.34Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| N25 | C04 | doub | 1.33Å | 1.32Å | Aromatic |
| N25 | C26 | sing | 1.31Å | 1.28Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.34Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.30Å | Aromatic |
| C11 | C03 | sing | 1.47Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.43Å | 1.50Å | |
| C03 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| N27 | C02 | sing | 1.33Å | 1.27Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.41Å | |
| C12 | C13 | trip | 1.17Å | 1.18Å | |
| C13 | C14 | sing | 1.43Å | 1.54Å | |
| O20 | C18 | doub | 1.21Å | 1.16Å | |
| C15 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | N17 | sing | 1.35Å | 1.40Å | |
| C14 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| N17 | C16 | sing | 1.40Å | 1.43Å | |
| C16 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | doub | 1.38Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | O08 | C07 | 117.6° | 114.0° |
| O08 | C09 | H093 | 109.5° | 109.5° |
| O08 | C09 | H091 | 109.5° | 109.6° |
| O08 | C09 | H092 | 109.5° | 109.5° |
| O08 | C07 | C06 | 111.3° | 109.5° |
| O08 | C07 | H071 | 109.0° | 109.5° |
| O08 | C07 | H072 | 109.0° | 109.5° |
| C07 | C06 | N05 | 114.9° | 109.5° |
| C07 | C06 | H062 | 108.1° | 109.4° |
| C07 | C06 | H061 | 108.1° | 109.5° |
| C06 | C07 | H071 | 109.0° | 109.5° |
| C06 | C07 | H072 | 109.0° | 109.4° |
| C06 | N05 | C10 | 128.6° | 124.8° |
| C06 | N05 | C04 | 121.1° | 124.8° |
| N05 | C06 | H062 | 108.1° | 109.5° |
| N05 | C06 | H061 | 108.1° | 109.5° |
| C10 | N05 | C04 | 110.2° | 110.4° |
| N05 | C10 | C11 | 107.0° | 109.5° |
| N05 | C10 | H101 | 126.5° | 125.2° |
| N05 | C04 | N25 | 133.4° | 134.1° |
| N05 | C04 | C03 | 107.5° | 107.5° |
| C10 | C11 | C03 | 106.5° | 106.4° |
| C10 | C11 | C12 | 135.7° | 126.8° |
| C11 | C10 | H101 | 126.5° | 125.2° |
| C04 | N25 | C26 | 120.8° | 120.7° |
| N25 | C04 | C03 | 119.1° | 118.5° |
| N25 | C26 | N27 | 121.2° | 122.7° |
| N25 | C26 | H261 | 119.4° | 118.7° |
| C04 | C03 | C11 | 108.8° | 106.2° |
| C04 | C03 | C02 | 117.9° | 118.8° |
| C26 | N27 | C02 | 122.0° | 120.9° |
| N27 | C26 | H261 | 119.4° | 118.6° |
| C03 | C11 | C12 | 117.8° | 126.8° |
| C11 | C03 | C02 | 133.2° | 135.1° |
| C11 | C12 | C13 | 172.6° | 180.0° |
| C03 | C02 | N27 | 119.0° | 118.4° |
| C03 | C02 | N01 | 120.2° | 120.8° |
| N27 | C02 | N01 | 120.8° | 120.8° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C12 | C13 | C14 | 169.5° | 180.0° |
| C13 | C14 | C15 | 122.5° | 120.1° |
| C13 | C14 | C23 | 121.1° | 120.1° |
| O20 | C18 | C19 | 118.3° | 120.0° |
| O20 | C18 | N17 | 119.3° | 120.0° |
| C14 | C15 | C16 | 118.6° | 119.8° |
| C15 | C14 | C23 | 116.4° | 119.8° |
| C14 | C15 | H151 | 120.7° | 120.1° |
| C15 | C16 | N17 | 129.0° | 120.0° |
| C15 | C16 | C21 | 122.8° | 120.0° |
| C16 | C15 | H151 | 120.7° | 120.1° |
| C19 | C18 | N17 | 122.3° | 120.0° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | N17 | C16 | 127.0° | 120.0° |
| C18 | N17 | H171 | 116.5° | 120.0° |
| C14 | C23 | C24 | 126.7° | 120.0° |
| C14 | C23 | C22 | 123.5° | 120.0° |
| N17 | C16 | C21 | 108.2° | 120.0° |
| C16 | N17 | H171 | 116.5° | 120.0° |
| C16 | C21 | C22 | 119.5° | 120.2° |
| C16 | C21 | H211 | 120.2° | 119.9° |
| C24 | C23 | C22 | 109.8° | 120.0° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.4° |
| C23 | C22 | C21 | 119.2° | 120.3° |
| C23 | C22 | H221 | 120.4° | 119.9° |
| C22 | C21 | H211 | 120.2° | 119.9° |
| C21 | C22 | H221 | 120.4° | 119.9° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H093 | C09 | H091 | 109.4° | 109.4° |
| H093 | C09 | H092 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.4° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H193 | C19 | H191 | 109.4° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H011 | N01 | H012 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | O08 | C07 | C06 | 149.5° | 180.0° |
| C09 | O08 | C07 | H071 | 29.2° | 60.0° |
| C09 | O08 | C07 | H072 | 90.3° | 60.0° |
| O08 | C09 | H093 | H091 | 120.0° | 120.1° |
| O08 | C09 | H093 | H092 | 120.0° | 120.0° |
| O08 | C09 | H091 | H092 | 120.0° | 120.1° |
| O08 | C07 | C06 | H071 | 120.3° | 120.0° |
| O08 | C07 | C06 | H072 | 120.2° | 120.0° |
| O08 | C07 | C06 | N05 | 176.9° | 180.0° |
| O08 | C07 | C06 | H062 | 56.1° | 60.0° |
| O08 | C07 | C06 | H061 | 62.3° | 60.0° |
| O08 | C07 | H071 | H072 | 119.2° | 120.0° |
| C07 | O08 | C09 | H093 | 180.0° | 180.0° |
| C07 | O08 | C09 | H091 | 60.0° | 60.0° |
| C07 | O08 | C09 | H092 | 60.0° | 60.0° |
| C07 | C06 | N05 | H062 | 120.8° | 120.0° |
| C07 | C06 | N05 | H061 | 120.8° | 120.0° |
| C07 | C06 | N05 | C10 | 156.6° | 95.0° |
| C07 | C06 | N05 | C04 | 20.4° | 85.0° |
| C07 | C06 | H062 | H061 | 117.5° | 120.0° |
| C06 | C07 | H071 | H072 | 119.2° | 120.0° |
| C06 | N05 | C10 | C04 | 177.3° | 180.0° |
| C06 | N05 | C10 | C11 | 178.2° | 180.0° |
| C06 | N05 | C04 | N25 | 2.5° | 0.0° |
| C06 | N05 | C04 | C03 | 177.6° | 180.0° |
| N05 | C06 | H062 | H061 | 117.5° | 120.0° |
| N05 | C06 | C07 | H071 | 62.8° | 60.0° |
| N05 | C06 | C07 | H072 | 56.7° | 60.0° |
| C06 | N05 | C10 | H101 | 1.8° | 0.0° |
| N05 | C10 | C11 | H101 | 180.0° | 180.0° |
| C10 | N05 | C04 | N25 | 180.0° | 180.0° |
| C10 | N05 | C04 | C03 | 0.1° | 0.1° |
| N05 | C10 | C11 | C03 | 1.4° | 0.0° |
| N05 | C10 | C11 | C12 | 179.4° | 180.0° |
| C10 | N05 | C06 | H062 | 35.8° | 145.1° |
| C10 | N05 | C06 | H061 | 82.6° | 25.1° |
| C04 | N05 | C10 | C11 | 0.9° | 0.1° |
| N05 | C04 | N25 | C03 | 179.9° | 179.9° |
| N05 | C04 | N25 | C26 | 178.9° | 180.0° |
| N05 | C04 | C03 | C11 | 0.7° | 0.0° |
| N05 | C04 | C03 | C02 | 177.4° | 180.0° |
| C04 | N05 | C06 | H062 | 141.2° | 35.0° |
| C04 | N05 | C06 | H061 | 100.4° | 154.9° |
| C04 | N05 | C10 | H101 | 179.0° | 180.0° |
| C10 | C11 | C03 | C04 | 1.3° | 0.0° |
| C10 | C11 | C03 | C12 | 179.4° | 180.0° |
| C10 | C11 | C03 | C02 | 177.2° | 180.0° |
| C10 | C11 | C12 | C13 | 159.7° | 120.9° |
| C04 | N25 | C26 | N27 | 0.1° | 0.2° |
| N25 | C04 | C03 | C11 | 179.2° | 180.0° |
| N25 | C04 | C03 | C02 | 2.5° | 0.0° |
| C04 | N25 | C26 | H261 | 180.0° | 179.7° |
| C26 | N25 | C04 | C03 | 1.1° | 0.1° |
| N25 | C26 | N27 | H261 | 180.0° | 179.5° |
| N25 | C26 | N27 | C02 | 0.5° | 0.5° |
| C04 | C03 | C11 | C02 | 175.9° | 180.0° |
| C04 | C03 | C11 | C12 | 179.3° | 180.0° |
| C04 | C03 | C02 | N27 | 3.1° | 0.2° |
| C04 | C03 | C02 | N01 | 178.1° | 180.0° |
| C26 | N27 | C02 | C03 | 2.1° | 0.5° |
| C26 | N27 | C02 | N01 | 179.1° | 179.7° |
| C11 | C03 | C02 | N27 | 178.7° | 179.7° |
| C11 | C03 | C02 | N01 | 2.5° | 0.0° |
| C03 | C11 | C12 | C13 | 19.5° | 59.1° |
| C03 | C11 | C10 | H101 | 178.6° | 180.0° |
| C12 | C11 | C03 | C02 | 3.4° | 0.0° |
| C11 | C12 | C13 | C14 | 53.9° | 90.5° |
| C12 | C11 | C10 | H101 | 0.6° | 0.0° |
| C03 | C02 | N27 | N01 | 178.8° | 179.8° |
| C03 | C02 | N01 | H011 | 178.8° | 0.0° |
| C03 | C02 | N01 | H012 | 58.8° | 180.0° |
| C02 | N27 | C26 | H261 | 179.5° | 180.0° |
| N27 | C02 | N01 | H011 | 0.0° | 179.7° |
| N27 | C02 | N01 | H012 | 120.0° | 0.2° |
| C02 | N01 | H011 | H012 | 120.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 148.9° |
| C12 | C13 | C14 | C23 | 0.3° | 31.4° |
| C13 | C14 | C15 | C23 | 179.6° | 179.7° |
| C13 | C14 | C15 | C16 | 179.5° | 180.0° |
| C13 | C14 | C23 | C24 | 0.3° | 0.1° |
| C13 | C14 | C23 | C22 | 179.7° | 179.8° |
| C13 | C14 | C15 | H151 | 0.5° | 0.0° |
| O20 | C18 | C19 | N17 | 176.1° | 180.0° |
| O20 | C18 | N17 | C16 | 5.4° | 5.2° |
| O20 | C18 | C19 | H192 | 0.0° | 90.0° |
| O20 | C18 | C19 | H193 | 120.0° | 29.9° |
| O20 | C18 | C19 | H191 | 120.0° | 150.0° |
| O20 | C18 | N17 | H171 | 174.6° | 174.7° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | N17 | 179.8° | 180.0° |
| C14 | C15 | C16 | C21 | 0.6° | 0.0° |
| C15 | C14 | C23 | C24 | 179.4° | 179.8° |
| C15 | C14 | C23 | C22 | 0.7° | 0.5° |
| C15 | C16 | N17 | C18 | 34.5° | 33.4° |
| C16 | C15 | C14 | C23 | 0.8° | 0.3° |
| C15 | C16 | N17 | C21 | 179.6° | 180.0° |
| C15 | C16 | C21 | C22 | 0.2° | 0.0° |
| C15 | C16 | C21 | H211 | 179.8° | 179.9° |
| C15 | C16 | N17 | H171 | 145.5° | 146.6° |
| C19 | C18 | N17 | C16 | 178.5° | 174.8° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H191 | 120.0° | 120.0° |
| C18 | C19 | H193 | H191 | 120.0° | 120.1° |
| C19 | C18 | N17 | H171 | 1.5° | 5.3° |
| C18 | N17 | C16 | H171 | 180.0° | 180.0° |
| C18 | N17 | C16 | C21 | 145.1° | 146.6° |
| N17 | C18 | C19 | H192 | 176.2° | 90.0° |
| N17 | C18 | C19 | H193 | 63.9° | 150.1° |
| N17 | C18 | C19 | H191 | 56.1° | 30.0° |
| C14 | C23 | C24 | C22 | 179.9° | 179.7° |
| C14 | C23 | C22 | C21 | 0.3° | 0.6° |
| C23 | C14 | C15 | H151 | 179.2° | 179.7° |
| C14 | C23 | C22 | H221 | 179.7° | 179.7° |
| C14 | C23 | C24 | H243 | 89.9° | 89.9° |
| C14 | C23 | C24 | H241 | 150.1° | 150.0° |
| C14 | C23 | C24 | H242 | 30.0° | 30.1° |
| N17 | C16 | C21 | C22 | 179.8° | 180.0° |
| N17 | C16 | C15 | H151 | 0.2° | 0.0° |
| N17 | C16 | C21 | H211 | 0.2° | 0.0° |
| C16 | C21 | C22 | C23 | 0.0° | 0.3° |
| C16 | C21 | C22 | H211 | 180.0° | 180.0° |
| C21 | C16 | C15 | H151 | 179.4° | 180.0° |
| C16 | C21 | C22 | H221 | 180.0° | 180.0° |
| C21 | C16 | N17 | H171 | 34.9° | 33.3° |
| C24 | C23 | C22 | C21 | 179.8° | 179.8° |
| C24 | C23 | C22 | H221 | 0.2° | 0.0° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 120.0° | 119.9° |
| C23 | C22 | C21 | H221 | 180.0° | 179.8° |
| C23 | C22 | C21 | H211 | 180.0° | 179.8° |
| C22 | C23 | C24 | H243 | 90.0° | 89.7° |
| C22 | C23 | C24 | H241 | 30.0° | 30.3° |
| C22 | C23 | C24 | H242 | 150.0° | 150.3° |
| H062 | C06 | C07 | H071 | 176.4° | 60.1° |
| H062 | C06 | C07 | H072 | 64.1° | 180.0° |
| H061 | C06 | C07 | H071 | 58.0° | 180.0° |
| H061 | C06 | C07 | H072 | 177.5° | 60.1° |
| H093 | C09 | H091 | H092 | 120.0° | 119.9° |
| H192 | C19 | H193 | H191 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.0° | 0.0° |
| H243 | C24 | H241 | H242 | 120.0° | 120.0° |
