MM8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C28 | doub | 1.22Å | 1.18Å | |
| C28 | N29 | sing | 1.35Å | 1.44Å | |
| C28 | C27 | sing | 1.47Å | 1.53Å | |
| C26 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C03 | O02 | sing | 1.36Å | 1.45Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.43Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | N18 | sing | 1.47Å | 1.42Å | |
| O02 | C01 | sing | 1.43Å | 1.43Å | |
| C23 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.47Å | 1.50Å | |
| N15 | C14 | sing | 1.40Å | 1.49Å | |
| N15 | C20 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.48Å | 1.43Å | |
| C10 | C09 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | N08 | doub | 1.32Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.43Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| N18 | H181 | sing | 1.01Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N29 | H292 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C28 | N29 | 119.9° | 120.0° |
| O30 | C28 | C27 | 120.3° | 120.0° |
| N29 | C28 | C27 | 119.8° | 120.0° |
| C28 | N29 | H291 | 120.0° | 120.0° |
| C28 | N29 | H292 | 120.0° | 120.0° |
| C28 | C27 | C26 | 120.1° | 120.1° |
| C28 | C27 | C03 | 120.0° | 120.0° |
| C27 | C26 | C25 | 119.8° | 120.0° |
| C26 | C27 | C03 | 119.9° | 119.9° |
| C27 | C26 | H261 | 120.1° | 120.0° |
| C26 | C25 | C05 | 120.7° | 120.2° |
| C26 | C25 | H251 | 119.6° | 119.9° |
| C25 | C26 | H261 | 120.1° | 120.0° |
| C27 | C03 | O02 | 119.0° | 120.1° |
| C27 | C03 | C04 | 120.2° | 119.8° |
| C25 | C05 | C04 | 119.2° | 120.2° |
| C25 | C05 | C06 | 119.4° | 119.9° |
| C05 | C25 | H251 | 119.6° | 119.9° |
| C24 | C23 | C06 | 120.2° | 120.9° |
| C24 | C23 | C10 | 121.4° | 120.9° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.4° | 109.4° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| O02 | C03 | C04 | 120.8° | 120.1° |
| C03 | O02 | C01 | 115.2° | 117.0° |
| C03 | C04 | C05 | 120.1° | 120.0° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C04 | C05 | C06 | 121.3° | 119.9° |
| C05 | C04 | H041 | 119.9° | 120.1° |
| C05 | C06 | C23 | 124.1° | 120.5° |
| C05 | C06 | C07 | 118.3° | 120.5° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C13 | C12 | C11 | 120.9° | 120.0° |
| C13 | C12 | H121 | 119.5° | 120.0° |
| C12 | C13 | H131 | 120.2° | 120.0° |
| C13 | C14 | N15 | 119.1° | 120.0° |
| C13 | C14 | C21 | 120.0° | 120.1° |
| C14 | C13 | H131 | 120.1° | 120.0° |
| C12 | C11 | C10 | 119.3° | 120.0° |
| C12 | C11 | C22 | 119.3° | 119.9° |
| C11 | C12 | H121 | 119.6° | 120.0° |
| C16 | C17 | N18 | 112.5° | 109.4° |
| C17 | C16 | N15 | 112.1° | 109.4° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C17 | C16 | H161 | 108.8° | 109.5° |
| C16 | C17 | H171 | 108.7° | 109.5° |
| C16 | C17 | H172 | 108.7° | 109.5° |
| C17 | N18 | C19 | 112.9° | 110.9° |
| N18 | C17 | H171 | 108.7° | 109.5° |
| N18 | C17 | H172 | 108.7° | 109.4° |
| C17 | N18 | H181 | 108.6° | 111.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| C06 | C23 | C10 | 118.3° | 118.2° |
| C23 | C06 | C07 | 117.6° | 119.0° |
| C23 | C10 | C11 | 123.1° | 120.5° |
| C23 | C10 | C09 | 119.2° | 119.1° |
| C06 | C07 | N08 | 122.8° | 120.8° |
| C06 | C07 | H071 | 118.6° | 119.5° |
| C16 | N15 | C14 | 121.0° | 111.0° |
| C16 | N15 | C20 | 107.7° | 110.9° |
| N15 | C16 | H162 | 108.8° | 109.5° |
| N15 | C16 | H161 | 108.8° | 109.5° |
| C14 | N15 | C20 | 120.8° | 111.0° |
| N15 | C14 | C21 | 120.9° | 119.9° |
| N15 | C20 | C19 | 112.1° | 109.4° |
| N15 | C20 | H201 | 108.8° | 109.5° |
| N15 | C20 | H202 | 108.8° | 109.5° |
| C11 | C10 | C09 | 117.7° | 120.4° |
| C10 | C11 | C22 | 121.4° | 120.1° |
| C10 | C09 | N08 | 121.2° | 120.8° |
| C10 | C09 | H091 | 119.4° | 119.6° |
| C14 | C21 | C22 | 120.1° | 120.1° |
| C14 | C21 | H211 | 120.0° | 120.0° |
| C11 | C22 | C21 | 119.9° | 120.0° |
| C11 | C22 | H221 | 120.1° | 120.0° |
| C07 | N08 | C09 | 120.8° | 122.0° |
| N08 | C07 | H071 | 118.6° | 119.6° |
| N18 | C19 | C20 | 112.5° | 109.4° |
| N18 | C19 | H191 | 108.7° | 109.5° |
| N18 | C19 | H192 | 108.7° | 109.5° |
| C19 | N18 | H181 | 108.6° | 111.0° |
| C20 | C19 | H191 | 108.7° | 109.5° |
| C20 | C19 | H192 | 108.7° | 109.5° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.5° |
| N08 | C09 | H091 | 119.4° | 119.5° |
| C22 | C21 | H211 | 119.9° | 120.0° |
| C21 | C22 | H221 | 120.0° | 120.1° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.6° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H291 | N29 | H292 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C28 | N29 | C27 | 179.3° | 180.0° |
| O30 | C28 | C27 | C26 | 19.7° | 180.0° |
| O30 | C28 | C27 | C03 | 161.2° | 0.5° |
| O30 | C28 | N29 | H291 | 0.0° | 180.0° |
| O30 | C28 | N29 | H292 | 180.0° | 0.0° |
| N29 | C28 | C27 | C26 | 159.6° | 0.0° |
| N29 | C28 | C27 | C03 | 19.5° | 179.5° |
| C28 | N29 | H291 | H292 | 180.0° | 180.0° |
| C28 | C27 | C26 | C03 | 179.1° | 179.5° |
| C28 | C27 | C26 | C25 | 179.3° | 180.0° |
| C28 | C27 | C03 | O02 | 0.5° | 0.2° |
| C28 | C27 | C03 | C04 | 179.5° | 180.0° |
| C28 | C27 | C26 | H261 | 0.7° | 0.5° |
| C27 | C28 | N29 | H291 | 179.2° | 0.0° |
| C27 | C28 | N29 | H292 | 0.7° | 180.0° |
| C27 | C26 | C25 | H261 | 180.0° | 179.5° |
| C27 | C26 | C25 | C05 | 1.1° | 0.3° |
| C26 | C27 | C03 | O02 | 179.6° | 179.7° |
| C26 | C27 | C03 | C04 | 0.4° | 0.5° |
| C27 | C26 | C25 | H251 | 178.8° | 179.8° |
| C25 | C26 | C27 | C03 | 0.2° | 0.5° |
| C26 | C25 | C05 | H251 | 180.0° | 180.0° |
| C26 | C25 | C05 | C04 | 2.3° | 0.0° |
| C26 | C25 | C05 | C06 | 179.5° | 180.0° |
| C27 | C03 | O02 | C04 | 180.0° | 179.7° |
| C27 | C03 | C04 | C05 | 0.8° | 0.3° |
| C27 | C03 | O02 | C01 | 164.2° | 179.7° |
| C27 | C03 | C04 | H041 | 179.2° | 179.8° |
| C03 | C27 | C26 | H261 | 179.7° | 180.0° |
| C25 | C05 | C04 | C03 | 2.1° | 0.0° |
| C25 | C05 | C04 | C06 | 177.2° | 179.9° |
| C25 | C05 | C06 | C23 | 51.4° | 50.2° |
| C25 | C05 | C06 | C07 | 127.9° | 130.0° |
| C25 | C05 | C04 | H041 | 177.9° | 180.0° |
| C05 | C25 | C26 | H261 | 178.9° | 179.8° |
| C24 | C23 | C06 | C05 | 0.9° | 0.0° |
| C24 | C23 | C06 | C10 | 179.7° | 180.0° |
| C24 | C23 | C06 | C07 | 179.7° | 179.8° |
| C24 | C23 | C10 | C11 | 0.4° | 0.3° |
| C24 | C23 | C10 | C09 | 179.5° | 180.0° |
| C23 | C24 | H241 | H243 | 120.0° | 119.9° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 119.9° |
| O02 | C03 | C04 | C05 | 179.2° | 180.0° |
| C03 | O02 | C01 | H012 | 180.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.8° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 179.3° | 180.0° |
| C04 | C03 | O02 | C01 | 15.8° | 0.0° |
| C04 | C05 | C06 | C23 | 131.4° | 129.7° |
| C04 | C05 | C06 | C07 | 49.3° | 50.1° |
| C04 | C05 | C25 | H251 | 177.7° | 180.0° |
| C05 | C06 | C23 | C07 | 179.4° | 179.8° |
| C05 | C06 | C23 | C10 | 178.8° | 180.0° |
| C05 | C06 | C07 | N08 | 179.1° | 180.0° |
| C06 | C05 | C04 | H041 | 0.7° | 0.1° |
| C05 | C06 | C07 | H071 | 0.9° | 0.0° |
| C06 | C05 | C25 | H251 | 0.5° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C12 | C13 | C14 | N15 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 179.9° | 179.9° |
| C12 | C13 | C14 | C21 | 0.3° | 0.1° |
| C13 | C12 | C11 | C22 | 2.3° | 0.3° |
| C14 | C13 | C12 | C11 | 1.5° | 0.0° |
| C13 | C14 | N15 | C16 | 64.6° | 180.0° |
| C13 | C14 | N15 | C21 | 179.7° | 179.9° |
| C13 | C14 | N15 | C20 | 154.9° | 56.1° |
| C13 | C14 | C21 | C22 | 0.2° | 0.4° |
| C14 | C13 | C12 | H121 | 178.5° | 180.0° |
| C13 | C14 | C21 | H211 | 179.8° | 180.0° |
| C12 | C11 | C10 | C23 | 48.9° | 56.0° |
| C12 | C11 | C10 | C22 | 177.8° | 179.8° |
| C12 | C11 | C10 | C09 | 131.2° | 123.8° |
| C12 | C11 | C22 | C21 | 1.8° | 0.6° |
| C11 | C12 | C13 | H131 | 178.5° | 180.0° |
| C12 | C11 | C22 | H221 | 178.2° | 179.7° |
| C16 | C17 | N18 | H171 | 120.4° | 120.0° |
| C16 | C17 | N18 | H172 | 120.5° | 119.9° |
| C17 | C16 | N15 | H162 | 120.4° | 120.0° |
| C17 | C16 | N15 | H161 | 120.4° | 120.0° |
| C17 | C16 | N15 | C14 | 160.5° | 176.8° |
| C17 | C16 | N15 | C20 | 54.5° | 59.3° |
| C16 | C17 | N18 | C19 | 53.5° | 59.3° |
| C17 | C16 | H162 | H161 | 118.8° | 120.0° |
| C16 | C17 | H171 | H172 | 118.6° | 120.1° |
| C16 | C17 | N18 | H181 | 174.0° | 176.8° |
| N18 | C17 | C16 | N15 | 55.2° | 58.4° |
| C17 | N18 | C19 | H181 | 120.5° | 123.9° |
| C17 | N18 | C19 | C20 | 53.3° | 59.3° |
| N18 | C17 | C16 | H162 | 65.1° | 61.6° |
| N18 | C17 | C16 | H161 | 175.6° | 178.4° |
| N18 | C17 | H171 | H172 | 118.6° | 120.0° |
| C17 | N18 | C19 | H191 | 67.2° | 179.3° |
| C17 | N18 | C19 | H192 | 173.8° | 60.7° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C06 | C23 | C10 | C11 | 179.3° | 179.7° |
| C06 | C23 | C10 | C09 | 0.8° | 0.0° |
| C23 | C06 | C07 | N08 | 0.3° | 0.2° |
| C23 | C06 | C07 | H071 | 179.7° | 179.8° |
| C06 | C23 | C24 | H241 | 90.2° | 88.6° |
| C06 | C23 | C24 | H243 | 149.8° | 151.4° |
| C06 | C23 | C24 | H242 | 29.8° | 31.5° |
| C10 | C23 | C06 | C07 | 0.6° | 0.2° |
| C23 | C10 | C11 | C09 | 179.9° | 179.8° |
| C23 | C10 | C11 | C22 | 133.3° | 124.2° |
| C23 | C10 | C09 | N08 | 0.6° | 0.2° |
| C23 | C10 | C09 | H091 | 179.4° | 180.0° |
| C10 | C23 | C24 | H241 | 90.2° | 91.4° |
| C10 | C23 | C24 | H243 | 29.8° | 28.6° |
| C10 | C23 | C24 | H242 | 149.8° | 148.5° |
| C06 | C07 | N08 | H071 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 0.2° | 0.0° |
| C16 | N15 | C14 | C20 | 140.5° | 123.9° |
| C16 | N15 | C14 | C21 | 115.7° | 0.1° |
| C16 | N15 | C20 | C19 | 54.3° | 59.3° |
| N15 | C16 | H162 | H161 | 118.8° | 120.1° |
| N15 | C16 | C17 | H171 | 65.2° | 61.6° |
| N15 | C16 | C17 | H172 | 175.7° | 178.3° |
| C16 | N15 | C20 | H201 | 66.0° | 179.3° |
| C16 | N15 | C20 | H202 | 174.7° | 60.7° |
| C14 | N15 | C20 | C19 | 160.6° | 176.8° |
| N15 | C14 | C21 | C22 | 179.8° | 179.8° |
| N15 | C14 | C13 | H131 | 0.6° | 0.1° |
| C14 | N15 | C16 | H162 | 79.1° | 63.3° |
| C14 | N15 | C16 | H161 | 40.1° | 56.8° |
| C14 | N15 | C20 | H201 | 79.1° | 56.7° |
| C14 | N15 | C20 | H202 | 40.2° | 63.2° |
| N15 | C14 | C21 | H211 | 0.2° | 0.1° |
| C20 | N15 | C14 | C21 | 24.7° | 123.8° |
| N15 | C20 | C19 | N18 | 54.9° | 58.3° |
| N15 | C20 | C19 | H201 | 120.4° | 120.1° |
| N15 | C20 | C19 | H202 | 120.4° | 120.0° |
| C20 | N15 | C16 | H162 | 65.9° | 60.7° |
| C20 | N15 | C16 | H161 | 174.9° | 179.3° |
| N15 | C20 | C19 | H191 | 65.6° | 178.3° |
| N15 | C20 | C19 | H192 | 175.3° | 61.7° |
| N15 | C20 | H201 | H202 | 118.8° | 120.0° |
| C11 | C10 | C09 | N08 | 179.4° | 180.0° |
| C10 | C11 | C22 | C21 | 179.6° | 179.6° |
| C11 | C10 | C09 | H091 | 0.6° | 0.2° |
| C10 | C11 | C12 | H121 | 0.1° | 0.0° |
| C10 | C11 | C22 | H221 | 0.4° | 0.1° |
| C09 | C10 | C11 | C22 | 46.6° | 56.0° |
| C10 | C09 | N08 | C07 | 0.3° | 0.2° |
| C10 | C09 | N08 | H091 | 180.0° | 179.8° |
| C14 | C21 | C22 | C11 | 0.6° | 0.6° |
| C14 | C21 | C22 | H211 | 180.0° | 179.6° |
| C21 | C14 | C13 | H131 | 179.7° | 180.0° |
| C14 | C21 | C22 | H221 | 179.4° | 179.7° |
| C11 | C22 | C21 | H221 | 180.0° | 179.7° |
| C22 | C11 | C12 | H121 | 177.7° | 179.8° |
| C11 | C22 | C21 | H211 | 179.4° | 179.7° |
| C07 | N08 | C09 | H091 | 179.7° | 180.0° |
| N18 | C19 | C20 | H191 | 120.5° | 120.0° |
| N18 | C19 | C20 | H192 | 120.5° | 120.0° |
| C19 | N18 | C17 | H171 | 67.0° | 60.7° |
| C19 | N18 | C17 | H172 | 173.9° | 179.2° |
| N18 | C19 | H191 | H192 | 118.6° | 120.0° |
| N18 | C19 | C20 | H201 | 65.5° | 178.4° |
| N18 | C19 | C20 | H202 | 175.2° | 61.6° |
| C20 | C19 | H191 | H192 | 118.6° | 120.1° |
| C19 | C20 | H201 | H202 | 118.8° | 120.0° |
| C20 | C19 | N18 | H181 | 173.8° | 176.8° |
| C09 | N08 | C07 | H071 | 179.8° | 180.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H121 | C12 | C13 | H131 | 1.5° | 0.1° |
| H162 | C16 | C17 | H171 | 174.4° | 178.5° |
| H162 | C16 | C17 | H172 | 55.3° | 58.3° |
| H161 | C16 | C17 | H171 | 55.2° | 58.4° |
| H161 | C16 | C17 | H172 | 64.0° | 61.7° |
| H171 | C17 | N18 | H181 | 53.5° | 63.2° |
| H172 | C17 | N18 | H181 | 65.6° | 56.8° |
| H191 | C19 | C20 | H201 | 174.0° | 61.6° |
| H191 | C19 | C20 | H202 | 54.8° | 58.3° |
| H191 | C19 | N18 | H181 | 53.3° | 56.8° |
| H192 | C19 | C20 | H201 | 54.9° | 58.4° |
| H192 | C19 | C20 | H202 | 64.3° | 178.4° |
| H192 | C19 | N18 | H181 | 65.7° | 63.2° |
| H211 | C21 | C22 | H221 | 0.6° | 0.0° |
| H241 | C24 | H243 | H242 | 120.0° | 120.1° |
| H251 | C25 | C26 | H261 | 1.1° | 0.3° |
