MN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.48Å | 1.40Å | |
| C1 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.35Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N | sing | 1.47Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.08Å | |
| N | C9 | sing | 1.47Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.08Å | |
| C9 | H92 | sing | 1.09Å | 1.08Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.08Å | |
| C11 | H113 | sing | 1.09Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.08Å | |
| C12 | H123 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.2° | 120.1° |
| C | C1 | C6 | 119.8° | 120.2° |
| C1 | C | O | 115.3° | 120.0° |
| C1 | C | OXT | 120.4° | 120.0° |
| C2 | C1 | C6 | 120.0° | 119.7° |
| C1 | C2 | C3 | 120.0° | 119.8° |
| C1 | C2 | H20 | 120.0° | 120.1° |
| C1 | C6 | C5 | 120.1° | 119.9° |
| C1 | C6 | H6 | 120.0° | 120.1° |
| O | C | OXT | 124.4° | 119.9° |
| C | OXT | HXT | 120.3° | 120.0° |
| C3 | C2 | H20 | 120.0° | 120.1° |
| C2 | C3 | C4 | 119.9° | 120.2° |
| C2 | C3 | H3 | 120.0° | 119.9° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C4 | C5 | 120.1° | 120.3° |
| C3 | C4 | C7 | 120.1° | 119.8° |
| C5 | C4 | C7 | 119.8° | 119.9° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C4 | C7 | N | 109.7° | 109.5° |
| C4 | C7 | H71 | 109.4° | 109.5° |
| C4 | C7 | H72 | 109.3° | 109.5° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| N | C7 | H71 | 109.5° | 109.5° |
| N | C7 | H72 | 109.4° | 109.5° |
| C7 | N | C9 | 119.5° | 106.7° |
| C7 | N | H | 108.6° | 106.7° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| C9 | N | H | 108.7° | 106.7° |
| N | C9 | C10 | 110.4° | 109.5° |
| N | C9 | H91 | 109.9° | 109.5° |
| N | C9 | H92 | 109.1° | 109.5° |
| C10 | C9 | H91 | 109.3° | 109.5° |
| C10 | C9 | H92 | 109.1° | 109.4° |
| C9 | C10 | C11 | 109.3° | 109.5° |
| C9 | C10 | C12 | 110.4° | 109.4° |
| C9 | C10 | H10 | 109.2° | 109.5° |
| H91 | C9 | H92 | 109.1° | 109.4° |
| C11 | C10 | C12 | 109.1° | 109.4° |
| C11 | C10 | H10 | 109.3° | 109.6° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C12 | C10 | H10 | 109.5° | 109.4° |
| C10 | C12 | H121 | 109.5° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.4° |
| H111 | C11 | H113 | 109.5° | 109.6° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C6 | 179.6° | 179.9° |
| C1 | C | O | OXT | 179.8° | 179.9° |
| C1 | C | OXT | HXT | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 179.6° | 180.0° |
| C | C1 | C2 | H20 | 0.5° | 0.0° |
| C | C1 | C6 | C5 | 179.6° | 179.8° |
| C | C1 | C6 | H6 | 0.5° | 0.1° |
| C2 | C1 | C | O | 85.0° | 0.0° |
| C2 | C1 | C | OXT | 95.2° | 180.0° |
| C1 | C2 | C3 | H20 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C | O | 95.4° | 180.0° |
| C6 | C1 | C | OXT | 84.4° | 0.1° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H20 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.4° |
| C1 | C6 | C5 | H6 | 179.9° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| O | C | OXT | HXT | 0.2° | 0.1° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.2° |
| C2 | C3 | C4 | C7 | 179.7° | 180.0° |
| H20 | C2 | C3 | C4 | 180.0° | 180.0° |
| H20 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | C7 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C7 | N | 47.7° | 90.0° |
| C3 | C4 | C7 | H71 | 72.4° | 30.0° |
| C3 | C4 | C7 | H72 | 167.7° | 150.0° |
| H3 | C3 | C4 | C5 | 179.9° | 179.8° |
| H3 | C3 | C4 | C7 | 0.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C7 | N | 132.5° | 90.3° |
| C5 | C4 | C7 | H71 | 107.4° | 149.8° |
| C5 | C4 | C7 | H72 | 12.5° | 29.7° |
| C7 | C4 | C5 | C6 | 179.7° | 179.8° |
| C7 | C4 | C5 | H5 | 0.3° | 0.2° |
| C4 | C7 | N | H71 | 120.1° | 120.0° |
| C4 | C7 | N | H72 | 119.9° | 120.0° |
| C4 | C7 | H71 | H72 | 119.8° | 120.0° |
| C4 | C7 | N | C9 | 90.4° | 180.0° |
| C4 | C7 | N | H | 34.9° | 66.2° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| N | C7 | H71 | H72 | 119.9° | 120.0° |
| C7 | N | C9 | H | 125.2° | 113.8° |
| C7 | N | C9 | C10 | 73.2° | 180.0° |
| C7 | N | C9 | H91 | 166.2° | 60.0° |
| C7 | N | C9 | H92 | 46.6° | 60.0° |
| H71 | C7 | N | C9 | 149.5° | 60.0° |
| H71 | C7 | N | H | 85.2° | 173.8° |
| H72 | C7 | N | C9 | 29.6° | 60.0° |
| H72 | C7 | N | H | 154.9° | 53.7° |
| N | C9 | C10 | H91 | 121.0° | 120.0° |
| N | C9 | C10 | H92 | 119.8° | 120.0° |
| N | C9 | H91 | H92 | 119.6° | 120.0° |
| N | C9 | C10 | C11 | 112.4° | 179.9° |
| N | C9 | C10 | C12 | 7.6° | 60.0° |
| N | C9 | C10 | H10 | 128.1° | 59.9° |
| H | N | C9 | C10 | 161.6° | 66.2° |
| H | N | C9 | H91 | 40.9° | 173.7° |
| H | N | C9 | H92 | 78.6° | 53.8° |
| C10 | C9 | H91 | H92 | 119.2° | 120.0° |
| C9 | C10 | C11 | C12 | 120.8° | 119.9° |
| C9 | C10 | C11 | H10 | 119.5° | 120.1° |
| C9 | C10 | C12 | H10 | 120.3° | 120.0° |
| C9 | C10 | C11 | H111 | 71.6° | 179.9° |
| C9 | C10 | C11 | H112 | 168.4° | 60.1° |
| C9 | C10 | C11 | H113 | 48.4° | 59.9° |
| C9 | C10 | C12 | H121 | 83.6° | 60.0° |
| C9 | C10 | C12 | H122 | 156.4° | 59.9° |
| C9 | C10 | C12 | H123 | 36.4° | 180.0° |
| H91 | C9 | C10 | C11 | 126.7° | 59.9° |
| H91 | C9 | C10 | C12 | 113.3° | 60.0° |
| H91 | C9 | C10 | H10 | 7.2° | 180.0° |
| H92 | C9 | C10 | C11 | 7.5° | 60.1° |
| H92 | C9 | C10 | C12 | 127.5° | 180.0° |
| H92 | C9 | C10 | H10 | 112.0° | 60.1° |
| C11 | C10 | C12 | H10 | 119.6° | 120.1° |
| C10 | C11 | H111 | H112 | 119.9° | 119.8° |
| C10 | C11 | H111 | H113 | 120.1° | 120.2° |
| C10 | C11 | H112 | H113 | 120.0° | 120.1° |
| C11 | C10 | C12 | H121 | 36.5° | 60.0° |
| C11 | C10 | C12 | H122 | 83.5° | 179.9° |
| C11 | C10 | C12 | H123 | 156.5° | 60.0° |
| C12 | C10 | C11 | H111 | 167.6° | 60.1° |
| C12 | C10 | C11 | H112 | 47.6° | 179.9° |
| C12 | C10 | C11 | H113 | 72.4° | 60.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| H10 | C10 | C11 | H111 | 47.9° | 59.9° |
| H10 | C10 | C11 | H112 | 72.1° | 60.0° |
| H10 | C10 | C11 | H113 | 167.9° | 180.0° |
| H10 | C10 | C12 | H121 | 156.1° | 180.0° |
| H10 | C10 | C12 | H122 | 36.1° | 60.0° |
| H10 | C10 | C12 | H123 | 83.9° | 60.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
