4MP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.19Å | |
| O2 | C5 | doub | 1.22Å | 1.23Å | |
| O3 | C9 | sing | 1.36Å | 1.37Å | |
| O3 | C12 | sing | 1.43Å | 1.45Å | |
| N1 | C1 | sing | 1.34Å | 1.41Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| N1 | C5 | sing | 1.35Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.55Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.55Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.48Å | 1.51Å | |
| C6 | C7 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C12 | H123 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 126.9° | 125.0° |
| O1 | C1 | C2 | 126.0° | 124.9° |
| O2 | C5 | N1 | 118.2° | 120.0° |
| O2 | C5 | C6 | 118.7° | 120.0° |
| C9 | O3 | C12 | 120.1° | 106.8° |
| O3 | C9 | C8 | 114.1° | 119.9° |
| O3 | C9 | C10 | 126.6° | 119.9° |
| O3 | C12 | H121 | 120.1° | 109.5° |
| O3 | C12 | H122 | 108.4° | 109.5° |
| O3 | C12 | H123 | 108.4° | 109.5° |
| C1 | N1 | C4 | 110.4° | 111.4° |
| C1 | N1 | C5 | 131.3° | 124.3° |
| N1 | C1 | C2 | 107.1° | 110.1° |
| C4 | N1 | C5 | 118.3° | 124.3° |
| N1 | C4 | C3 | 105.0° | 105.5° |
| N1 | C4 | H41 | 113.9° | 110.3° |
| N1 | C4 | H42 | 113.9° | 110.3° |
| N1 | C5 | C6 | 122.8° | 120.0° |
| C1 | C2 | C3 | 107.9° | 104.3° |
| C1 | C2 | H21 | 112.8° | 110.6° |
| C1 | C2 | H22 | 112.8° | 110.3° |
| C3 | C2 | H21 | 112.8° | 110.5° |
| C3 | C2 | H22 | 112.8° | 110.5° |
| C2 | C3 | C4 | 109.1° | 101.8° |
| C2 | C3 | H31 | 112.4° | 110.9° |
| C2 | C3 | H32 | 112.4° | 111.0° |
| H21 | C2 | H22 | 97.7° | 110.5° |
| C4 | C3 | H31 | 112.3° | 111.0° |
| C4 | C3 | H32 | 112.3° | 111.0° |
| C3 | C4 | H41 | 113.9° | 110.2° |
| C3 | C4 | H42 | 113.9° | 110.2° |
| H31 | C3 | H32 | 98.1° | 110.9° |
| H41 | C4 | H42 | 96.6° | 110.3° |
| C5 | C6 | C7 | 121.7° | 120.1° |
| C5 | C6 | C11 | 118.8° | 120.1° |
| C7 | C6 | C11 | 119.5° | 119.8° |
| C6 | C7 | C8 | 120.4° | 119.9° |
| C6 | C7 | H7 | 120.4° | 120.1° |
| C6 | C11 | C10 | 120.1° | 119.9° |
| C6 | C11 | H11 | 119.7° | 120.0° |
| C8 | C7 | H7 | 119.2° | 120.1° |
| C7 | C8 | C9 | 120.3° | 120.1° |
| C7 | C8 | H8 | 119.7° | 119.9° |
| C9 | C8 | H8 | 120.0° | 119.9° |
| C8 | C9 | C10 | 119.3° | 120.2° |
| C9 | C10 | C11 | 120.4° | 120.1° |
| C9 | C10 | H10 | 120.2° | 120.0° |
| C11 | C10 | H10 | 119.4° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.1° |
| H121 | C12 | H122 | 108.4° | 109.4° |
| H121 | C12 | H123 | 108.4° | 109.5° |
| H122 | C12 | H123 | 101.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C2 | 179.9° | 179.6° |
| O1 | C1 | N1 | C4 | 175.7° | 179.6° |
| O1 | C1 | N1 | C5 | 1.0° | 0.2° |
| O1 | C1 | C2 | C3 | 179.6° | 163.7° |
| O1 | C1 | C2 | H21 | 54.4° | 45.0° |
| O1 | C1 | C2 | H22 | 55.1° | 77.6° |
| O2 | C5 | N1 | C1 | 176.9° | 6.0° |
| O2 | C5 | N1 | C4 | 0.5° | 174.3° |
| O2 | C5 | N1 | C6 | 174.1° | 179.9° |
| O2 | C5 | C6 | C7 | 116.1° | 24.0° |
| O2 | C5 | C6 | C11 | 62.6° | 156.1° |
| O3 | C9 | C8 | C7 | 179.7° | 180.0° |
| O3 | C9 | C8 | C10 | 179.9° | 179.7° |
| O3 | C9 | C8 | H8 | 0.2° | 0.1° |
| O3 | C9 | C10 | C11 | 179.7° | 179.8° |
| O3 | C9 | C10 | H10 | 0.2° | 0.3° |
| C9 | O3 | C12 | H121 | 180.0° | 180.0° |
| C9 | O3 | C12 | H122 | 54.7° | 60.0° |
| C9 | O3 | C12 | H123 | 54.7° | 60.0° |
| C12 | O3 | C9 | C8 | 180.0° | 180.0° |
| C12 | O3 | C9 | C10 | 0.1° | 0.3° |
| O3 | C12 | H121 | H122 | 125.3° | 120.0° |
| O3 | C12 | H121 | H123 | 125.3° | 120.0° |
| O3 | C12 | H122 | H123 | 114.0° | 120.1° |
| C1 | N1 | C4 | C5 | 177.2° | 179.8° |
| N1 | C1 | C2 | C3 | 0.5° | 15.9° |
| N1 | C1 | C2 | H21 | 125.7° | 134.6° |
| N1 | C1 | C2 | H22 | 124.8° | 102.8° |
| C1 | N1 | C4 | C3 | 7.1° | 17.3° |
| C1 | N1 | C4 | H41 | 118.2° | 136.3° |
| C1 | N1 | C4 | H42 | 132.3° | 101.7° |
| C1 | N1 | C5 | C6 | 8.9° | 173.9° |
| C4 | N1 | C1 | C2 | 4.2° | 0.8° |
| N1 | C4 | C3 | C2 | 7.3° | 25.4° |
| N1 | C4 | C3 | H41 | 125.3° | 119.0° |
| N1 | C4 | C3 | H42 | 125.3° | 119.0° |
| N1 | C4 | C3 | H31 | 118.0° | 92.7° |
| N1 | C4 | C3 | H32 | 132.6° | 143.5° |
| N1 | C4 | H41 | H42 | 119.8° | 122.0° |
| C4 | N1 | C5 | C6 | 174.6° | 5.8° |
| C5 | N1 | C1 | C2 | 179.1° | 179.4° |
| C5 | N1 | C4 | C3 | 175.8° | 163.0° |
| C5 | N1 | C4 | H41 | 59.0° | 44.0° |
| C5 | N1 | C4 | H42 | 50.5° | 78.1° |
| N1 | C5 | C6 | C7 | 58.0° | 156.1° |
| N1 | C5 | C6 | C11 | 123.3° | 23.8° |
| C1 | C2 | C3 | H21 | 125.3° | 118.9° |
| C1 | C2 | C3 | H22 | 125.3° | 118.5° |
| C1 | C2 | H21 | H22 | 118.8° | 122.4° |
| C1 | C2 | C3 | C4 | 5.0° | 24.6° |
| C1 | C2 | C3 | H31 | 120.3° | 93.5° |
| C1 | C2 | C3 | H32 | 130.2° | 142.7° |
| C3 | C2 | H21 | H22 | 118.7° | 122.6° |
| C2 | C3 | C4 | H31 | 125.3° | 118.1° |
| C2 | C3 | C4 | H32 | 125.3° | 118.2° |
| C2 | C3 | H31 | H32 | 118.3° | 123.8° |
| C2 | C3 | C4 | H41 | 118.0° | 144.4° |
| C2 | C3 | C4 | H42 | 132.6° | 93.6° |
| H21 | C2 | C3 | C4 | 130.2° | 143.4° |
| H21 | C2 | C3 | H31 | 5.0° | 25.4° |
| H21 | C2 | C3 | H32 | 104.5° | 98.4° |
| H22 | C2 | C3 | C4 | 120.3° | 93.9° |
| H22 | C2 | C3 | H31 | 114.4° | 148.0° |
| H22 | C2 | C3 | H32 | 5.0° | 24.2° |
| C4 | C3 | H31 | H32 | 118.2° | 123.8° |
| C3 | C4 | H41 | H42 | 119.8° | 121.9° |
| H31 | C3 | C4 | H41 | 116.7° | 26.3° |
| H31 | C3 | C4 | H42 | 7.3° | 148.3° |
| H32 | C3 | C4 | H41 | 7.3° | 97.4° |
| H32 | C3 | C4 | H42 | 102.2° | 24.6° |
| C5 | C6 | C7 | C11 | 178.7° | 180.0° |
| C5 | C6 | C7 | C8 | 178.6° | 180.0° |
| C5 | C6 | C7 | H7 | 1.3° | 0.0° |
| C5 | C6 | C11 | C10 | 178.7° | 179.8° |
| C5 | C6 | C11 | H11 | 1.3° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 180.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.2° |
| C7 | C6 | C11 | H11 | 180.0° | 180.0° |
| C11 | C6 | C7 | C8 | 0.0° | 0.1° |
| C11 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.1° | 0.4° |
| C6 | C11 | C10 | H11 | 180.0° | 179.8° |
| C6 | C11 | C10 | H10 | 180.0° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.2° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.5° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| H8 | C8 | C9 | C10 | 179.9° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.5° |
| C9 | C10 | C11 | H11 | 179.9° | 179.7° |
| H10 | C10 | C11 | H11 | 0.0° | 0.2° |
| H121 | C12 | H122 | H123 | 114.1° | 120.0° |
