MGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.47Å | 1.58Å | |
| C1 | C8 | sing | 1.42Å | 1.52Å | |
| C1 | C14 | doub | 1.42Å | 1.50Å | |
| C2 | C3 | doub | 1.40Å | 1.47Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.51Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.45Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.43Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.41Å | 1.52Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.48Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | H91 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.40Å | 1.47Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.53Å | Aromatic |
| C11 | N2 | sing | 1.36Å | 1.39Å | |
| C12 | C13 | doub | 1.36Å | 1.43Å | Aromatic |
| C12 | H121 | sing | 1.08Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.41Å | 1.47Å | |
| C14 | C19 | sing | 1.41Å | 1.44Å | |
| C15 | C16 | doub | 1.36Å | 1.41Å | |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.40Å | 1.44Å | |
| C17 | N3 | doub | 1.36Å | 1.36Å | |
| C18 | C19 | doub | 1.36Å | 1.39Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C22 | N2 | sing | 1.47Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | N2 | sing | 1.47Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | N3 | sing | 1.47Å | 1.46Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | N3 | sing | 1.46Å | 1.48Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8 | 120.7° | 120.0° |
| C2 | C1 | C14 | 118.2° | 120.0° |
| C1 | C2 | C3 | 122.5° | 120.2° |
| C1 | C2 | C7 | 122.5° | 120.2° |
| C8 | C1 | C14 | 121.0° | 120.0° |
| C1 | C8 | C9 | 120.1° | 120.0° |
| C1 | C8 | C13 | 124.3° | 120.0° |
| C1 | C14 | C15 | 123.0° | 120.0° |
| C1 | C14 | C19 | 121.5° | 120.0° |
| C3 | C2 | C7 | 115.0° | 119.7° |
| C2 | C3 | C4 | 121.5° | 119.8° |
| C2 | C3 | H31 | 120.5° | 120.1° |
| C2 | C7 | C6 | 122.8° | 119.8° |
| C2 | C7 | H71 | 121.4° | 120.1° |
| C4 | C3 | H31 | 118.0° | 120.1° |
| C3 | C4 | C5 | 122.1° | 120.2° |
| C3 | C4 | H41 | 118.2° | 119.9° |
| C5 | C4 | H41 | 119.7° | 119.9° |
| C4 | C5 | C6 | 118.7° | 120.4° |
| C4 | C5 | H51 | 120.7° | 119.8° |
| C6 | C5 | H51 | 120.5° | 119.8° |
| C5 | C6 | C7 | 119.8° | 120.2° |
| C5 | C6 | H61 | 120.6° | 119.9° |
| C7 | C6 | H61 | 119.5° | 119.9° |
| C6 | C7 | H71 | 115.9° | 120.1° |
| C9 | C8 | C13 | 115.6° | 119.9° |
| C8 | C9 | C10 | 124.4° | 120.0° |
| C8 | C9 | H91 | 122.5° | 120.1° |
| C8 | C13 | C12 | 121.5° | 120.0° |
| C8 | C13 | H131 | 121.0° | 120.0° |
| C10 | C9 | H91 | 113.2° | 120.0° |
| C9 | C10 | C11 | 119.5° | 120.0° |
| C9 | C10 | H101 | 117.6° | 120.0° |
| C11 | C10 | H101 | 122.9° | 120.0° |
| C10 | C11 | C12 | 118.3° | 120.1° |
| C10 | C11 | N2 | 119.7° | 120.0° |
| C12 | C11 | N2 | 121.9° | 120.0° |
| C11 | C12 | C13 | 120.6° | 120.0° |
| C11 | C12 | H121 | 123.1° | 119.9° |
| C11 | N2 | C22 | 118.9° | 120.0° |
| C11 | N2 | C23 | 123.8° | 120.0° |
| C13 | C12 | H121 | 116.3° | 120.0° |
| C12 | C13 | H131 | 117.5° | 120.0° |
| C15 | C14 | C19 | 115.5° | 120.0° |
| C14 | C15 | C16 | 122.1° | 119.9° |
| C14 | C15 | H151 | 121.4° | 120.1° |
| C14 | C19 | C18 | 121.2° | 119.9° |
| C14 | C19 | H191 | 121.3° | 120.0° |
| C16 | C15 | H151 | 116.5° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.1° |
| C15 | C16 | H161 | 119.8° | 120.0° |
| C17 | C16 | H161 | 119.5° | 120.0° |
| C16 | C17 | C18 | 118.4° | 120.1° |
| C16 | C17 | N3 | 122.8° | 120.0° |
| C18 | C17 | N3 | 118.9° | 119.9° |
| C17 | C18 | C19 | 122.1° | 120.1° |
| C17 | C18 | H181 | 120.6° | 120.0° |
| C17 | N3 | C24 | 122.7° | 120.0° |
| C17 | N3 | C25 | 122.1° | 120.0° |
| C19 | C18 | H181 | 117.3° | 119.9° |
| C18 | C19 | H191 | 117.5° | 120.0° |
| N2 | C22 | H221 | 119.0° | 109.5° |
| N2 | C22 | H222 | 108.8° | 109.4° |
| N2 | C22 | H223 | 108.8° | 109.4° |
| C22 | N2 | C23 | 117.3° | 119.9° |
| H221 | C22 | H222 | 108.8° | 109.5° |
| H221 | C22 | H223 | 108.8° | 109.5° |
| H222 | C22 | H223 | 101.2° | 109.4° |
| N2 | C23 | H231 | 123.8° | 109.5° |
| N2 | C23 | H232 | 107.1° | 109.4° |
| N2 | C23 | H233 | 107.1° | 109.5° |
| H231 | C23 | H232 | 107.2° | 109.4° |
| H231 | C23 | H233 | 107.2° | 109.5° |
| H232 | C23 | H233 | 102.5° | 109.5° |
| N3 | C24 | H241 | 122.7° | 109.5° |
| N3 | C24 | H242 | 107.5° | 109.5° |
| N3 | C24 | H243 | 107.5° | 109.5° |
| C24 | N3 | C25 | 115.1° | 120.0° |
| H241 | C24 | H242 | 107.4° | 109.5° |
| H241 | C24 | H243 | 107.4° | 109.5° |
| H242 | C24 | H243 | 102.3° | 109.5° |
| N3 | C25 | H251 | 122.1° | 109.4° |
| N3 | C25 | H252 | 107.7° | 109.4° |
| N3 | C25 | H253 | 107.7° | 109.5° |
| H251 | C25 | H252 | 107.7° | 109.4° |
| H251 | C25 | H253 | 107.7° | 109.6° |
| H252 | C25 | H253 | 102.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8 | C14 | 176.6° | 180.0° |
| C1 | C2 | C3 | C7 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H31 | 0.1° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.7° |
| C1 | C2 | C7 | H71 | 0.2° | 0.3° |
| C2 | C1 | C8 | C9 | 20.0° | 65.0° |
| C2 | C1 | C8 | C13 | 159.3° | 115.0° |
| C2 | C1 | C14 | C15 | 134.3° | 0.0° |
| C2 | C1 | C14 | C19 | 45.4° | 179.7° |
| C8 | C1 | C2 | C3 | 137.5° | 115.0° |
| C8 | C1 | C2 | C7 | 42.4° | 64.7° |
| C1 | C8 | C9 | C13 | 179.3° | 180.0° |
| C1 | C8 | C9 | C10 | 177.6° | 180.0° |
| C1 | C8 | C9 | H91 | 2.4° | 0.0° |
| C1 | C8 | C13 | C12 | 177.4° | 179.7° |
| C1 | C8 | C13 | H131 | 2.6° | 0.0° |
| C8 | C1 | C14 | C15 | 49.0° | 180.0° |
| C8 | C1 | C14 | C19 | 131.3° | 0.2° |
| C14 | C1 | C2 | C3 | 45.8° | 65.0° |
| C14 | C1 | C2 | C7 | 134.3° | 115.3° |
| C14 | C1 | C8 | C9 | 163.5° | 115.0° |
| C14 | C1 | C8 | C13 | 17.3° | 65.0° |
| C1 | C14 | C15 | C19 | 179.7° | 179.8° |
| C1 | C14 | C15 | C16 | 179.1° | 180.0° |
| C1 | C14 | C15 | H151 | 0.8° | 0.1° |
| C1 | C14 | C19 | C18 | 179.2° | 179.7° |
| C1 | C14 | C19 | H191 | 0.8° | 0.2° |
| C2 | C3 | C4 | H31 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | H41 | 179.7° | 179.9° |
| C3 | C2 | C7 | C6 | 0.1° | 0.6° |
| C3 | C2 | C7 | H71 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.3° |
| C7 | C2 | C3 | H31 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 0.0° | 0.6° |
| C2 | C7 | C6 | H71 | 180.0° | 179.4° |
| C2 | C7 | C6 | H61 | 180.0° | 179.6° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C3 | C4 | C5 | H51 | 179.7° | 180.0° |
| H31 | C3 | C4 | C5 | 179.8° | 180.0° |
| H31 | C3 | C4 | H41 | 0.2° | 0.0° |
| C4 | C5 | C6 | H51 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C4 | C5 | C6 | H61 | 179.8° | 179.9° |
| H41 | C4 | C5 | C6 | 179.7° | 179.9° |
| H41 | C4 | C5 | H51 | 0.3° | 0.0° |
| C5 | C6 | C7 | H61 | 180.0° | 179.7° |
| C5 | C6 | C7 | H71 | 180.0° | 180.0° |
| H51 | C5 | C6 | C7 | 179.8° | 179.7° |
| H51 | C5 | C6 | H61 | 0.2° | 0.0° |
| H61 | C6 | C7 | H71 | 0.0° | 0.2° |
| C8 | C9 | C10 | H91 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.0° |
| C8 | C9 | C10 | H101 | 179.0° | 180.0° |
| C9 | C8 | C13 | C12 | 1.9° | 0.3° |
| C9 | C8 | C13 | H131 | 178.1° | 180.0° |
| C13 | C8 | C9 | C10 | 1.7° | 0.0° |
| C13 | C8 | C9 | H91 | 178.3° | 180.0° |
| C8 | C13 | C12 | C11 | 1.4° | 0.5° |
| C8 | C13 | C12 | H131 | 180.0° | 179.7° |
| C8 | C13 | C12 | H121 | 178.6° | 180.0° |
| C9 | C10 | C11 | H101 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.2° |
| C9 | C10 | C11 | N2 | 178.3° | 180.0° |
| H91 | C9 | C10 | C11 | 178.9° | 180.0° |
| H91 | C9 | C10 | H101 | 1.0° | 0.0° |
| C10 | C11 | C12 | N2 | 177.8° | 179.8° |
| C10 | C11 | C12 | C13 | 0.6° | 0.5° |
| C10 | C11 | C12 | H121 | 179.4° | 180.0° |
| C10 | C11 | N2 | C22 | 178.0° | 0.0° |
| C10 | C11 | N2 | C23 | 1.7° | 180.0° |
| H101 | C10 | C11 | C12 | 179.6° | 179.7° |
| H101 | C10 | C11 | N2 | 1.7° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.5° |
| C11 | C12 | C13 | H131 | 178.6° | 179.8° |
| C12 | C11 | N2 | C22 | 0.2° | 179.7° |
| C12 | C11 | N2 | C23 | 179.5° | 0.3° |
| N2 | C11 | C12 | C13 | 178.5° | 179.7° |
| N2 | C11 | C12 | H121 | 1.6° | 0.3° |
| C11 | N2 | C22 | C23 | 179.7° | 180.0° |
| C11 | N2 | C22 | H221 | 180.0° | 180.0° |
| C11 | N2 | C22 | H222 | 54.7° | 59.9° |
| C11 | N2 | C22 | H223 | 54.7° | 60.0° |
| C11 | N2 | C23 | H231 | 180.0° | 180.0° |
| C11 | N2 | C23 | H232 | 54.7° | 60.0° |
| C11 | N2 | C23 | H233 | 54.7° | 60.0° |
| H121 | C12 | C13 | H131 | 1.4° | 0.3° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H161 | 179.6° | 180.0° |
| C15 | C14 | C19 | C18 | 0.5° | 0.5° |
| C15 | C14 | C19 | H191 | 179.5° | 180.0° |
| C19 | C14 | C15 | C16 | 0.6° | 0.3° |
| C19 | C14 | C15 | H151 | 179.4° | 179.8° |
| C14 | C19 | C18 | C17 | 0.2° | 0.5° |
| C14 | C19 | C18 | H191 | 180.0° | 179.5° |
| C14 | C19 | C18 | H181 | 179.8° | 179.8° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | N3 | 179.6° | 180.0° |
| H151 | C15 | C16 | C17 | 179.7° | 180.0° |
| H151 | C15 | C16 | H161 | 0.4° | 0.1° |
| C16 | C17 | C18 | N3 | 179.6° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C16 | C17 | N3 | C24 | 75.0° | 5.9° |
| C16 | C17 | N3 | C25 | 108.2° | 174.0° |
| H161 | C16 | C17 | C18 | 180.0° | 180.0° |
| H161 | C16 | C17 | N3 | 0.3° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 179.7° |
| C17 | C18 | C19 | H191 | 179.8° | 179.9° |
| C18 | C17 | N3 | C24 | 104.6° | 174.0° |
| C18 | C17 | N3 | C25 | 72.2° | 6.1° |
| N3 | C17 | C18 | C19 | 179.6° | 179.8° |
| N3 | C17 | C18 | H181 | 0.4° | 0.1° |
| C17 | N3 | C24 | C25 | 177.0° | 179.9° |
| C17 | N3 | C24 | H241 | 180.0° | 5.1° |
| C17 | N3 | C24 | H242 | 54.8° | 125.1° |
| C17 | N3 | C24 | H243 | 54.8° | 114.9° |
| C17 | N3 | C25 | H251 | 180.0° | 60.1° |
| C17 | N3 | C25 | H252 | 54.8° | 180.0° |
| C17 | N3 | C25 | H253 | 54.8° | 60.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.2° |
| N2 | C22 | H221 | H222 | 125.3° | 120.0° |
| N2 | C22 | H221 | H223 | 125.2° | 120.0° |
| N2 | C22 | H222 | H223 | 114.5° | 119.9° |
| C22 | N2 | C23 | H231 | 0.3° | 0.0° |
| C22 | N2 | C23 | H232 | 125.6° | 120.0° |
| C22 | N2 | C23 | H233 | 125.0° | 120.0° |
| H221 | C22 | H222 | H223 | 114.5° | 120.0° |
| H221 | C22 | N2 | C23 | 0.3° | 0.0° |
| H222 | C22 | N2 | C23 | 125.0° | 120.0° |
| H223 | C22 | N2 | C23 | 125.6° | 120.1° |
| N2 | C23 | H231 | H232 | 125.3° | 120.0° |
| N2 | C23 | H231 | H233 | 125.3° | 120.0° |
| N2 | C23 | H232 | H233 | 112.6° | 120.0° |
| H231 | C23 | H232 | H233 | 112.7° | 120.0° |
| N3 | C24 | H241 | H242 | 125.3° | 120.0° |
| N3 | C24 | H241 | H243 | 125.3° | 120.0° |
| N3 | C24 | H242 | H243 | 113.1° | 120.0° |
| C24 | N3 | C25 | H251 | 3.0° | 120.0° |
| C24 | N3 | C25 | H252 | 128.2° | 0.1° |
| C24 | N3 | C25 | H253 | 122.3° | 119.9° |
| H241 | C24 | H242 | H243 | 113.0° | 120.0° |
| H241 | C24 | N3 | C25 | 3.0° | 174.8° |
| H242 | C24 | N3 | C25 | 122.2° | 54.8° |
| H243 | C24 | N3 | C25 | 128.2° | 65.2° |
| N3 | C25 | H251 | H252 | 125.2° | 119.9° |
| N3 | C25 | H251 | H253 | 125.3° | 120.1° |
| N3 | C25 | H252 | H253 | 113.3° | 120.0° |
| H251 | C25 | H252 | H253 | 113.2° | 120.1° |
