M9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| CL1 | C08 | sing | 1.74Å | 1.79Å | |
| O06 | C04 | doub | 1.21Å | 1.27Å | |
| C10 | C08 | doub | 1.33Å | 1.40Å | Aromatic |
| C10 | S12 | sing | 1.76Å | 1.70Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.44Å | Aromatic |
| C04 | O05 | sing | 1.34Å | 1.25Å | |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| S02 | C03 | sing | 1.81Å | 1.82Å | |
| S02 | C01 | sing | 1.81Å | 1.80Å | |
| S12 | C13 | sing | 1.75Å | 1.68Å | Aromatic |
| C07 | C13 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C01 | sing | 1.52Å | 1.54Å | |
| C13 | N14 | sing | 1.41Å | 1.40Å | |
| N16 | C01 | sing | 1.47Å | 1.46Å | |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| N14 | C15 | sing | 1.48Å | 1.43Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N16 | H10 | sing | 1.01Å | 1.00Å | |
| O05 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C08 | 124.5° | 125.1° |
| C11 | C10 | S12 | 127.0° | 125.1° |
| C10 | C11 | H6 | 109.5° | 109.4° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| CL1 | C08 | C10 | 121.6° | 122.2° |
| CL1 | C08 | C07 | 125.0° | 122.2° |
| O06 | C04 | O05 | 118.2° | 120.0° |
| O06 | C04 | C03 | 123.7° | 120.0° |
| C08 | C10 | S12 | 108.5° | 109.8° |
| C10 | C08 | C07 | 113.2° | 115.6° |
| C10 | S12 | C13 | 95.6° | 91.0° |
| C08 | C07 | C13 | 111.8° | 113.3° |
| C08 | C07 | C01 | 131.9° | 125.4° |
| O05 | C04 | C03 | 118.1° | 120.0° |
| C04 | O05 | H12 | 109.5° | 117.0° |
| C04 | C03 | S02 | 113.0° | 109.5° |
| C04 | C03 | H4 | 108.6° | 109.5° |
| C04 | C03 | H5 | 108.5° | 109.5° |
| C03 | S02 | C01 | 99.6° | 103.0° |
| S02 | C03 | H4 | 108.6° | 109.5° |
| S02 | C03 | H5 | 108.6° | 109.4° |
| S02 | C01 | C07 | 116.9° | 109.6° |
| S02 | C01 | N16 | 111.2° | 109.7° |
| S02 | C01 | H3 | 102.6° | 109.6° |
| S12 | C13 | C07 | 110.7° | 110.2° |
| S12 | C13 | N14 | 129.5° | 127.5° |
| C13 | C07 | C01 | 115.8° | 121.3° |
| C07 | C13 | N14 | 119.8° | 122.3° |
| C07 | C01 | N16 | 114.1° | 108.6° |
| C07 | C01 | H3 | 104.8° | 109.6° |
| C13 | N14 | C15 | 123.1° | 115.8° |
| C13 | N14 | H9 | 106.0° | 122.1° |
| C01 | N16 | C15 | 110.1° | 111.9° |
| N16 | C01 | H3 | 105.7° | 109.6° |
| C01 | N16 | H10 | 109.3° | 111.0° |
| N16 | C15 | N14 | 115.7° | 108.5° |
| N16 | C15 | H1 | 107.9° | 109.6° |
| N16 | C15 | H2 | 107.9° | 109.8° |
| C15 | N16 | H10 | 109.3° | 111.0° |
| N14 | C15 | H1 | 107.9° | 109.6° |
| N14 | C15 | H2 | 107.9° | 109.6° |
| C15 | N14 | H9 | 106.0° | 122.1° |
| H1 | C15 | H2 | 109.5° | 109.6° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C08 | CL1 | 2.4° | 0.3° |
| C11 | C10 | C08 | S12 | 178.6° | 179.8° |
| C11 | C10 | C08 | C07 | 177.8° | 179.7° |
| C11 | C10 | S12 | C13 | 179.7° | 179.8° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H8 | 120.0° | 120.0° |
| C10 | C11 | H7 | H8 | 120.0° | 120.0° |
| CL1 | C08 | C10 | C07 | 175.4° | 180.0° |
| CL1 | C08 | C10 | S12 | 179.1° | 180.0° |
| CL1 | C08 | C07 | C13 | 179.5° | 179.9° |
| CL1 | C08 | C07 | C01 | 8.7° | 0.1° |
| O06 | C04 | O05 | C03 | 177.8° | 180.0° |
| O06 | C04 | C03 | S02 | 2.4° | 0.0° |
| O06 | C04 | C03 | H4 | 122.9° | 120.0° |
| O06 | C04 | C03 | H5 | 118.1° | 120.0° |
| O06 | C04 | O05 | H12 | 0.0° | 0.0° |
| C08 | C10 | S12 | C13 | 1.8° | 0.1° |
| C10 | C08 | C07 | C13 | 4.3° | 0.1° |
| C10 | C08 | C07 | C01 | 176.1° | 179.9° |
| C08 | C10 | C11 | H6 | 178.3° | 90.0° |
| C08 | C10 | C11 | H7 | 58.3° | 150.0° |
| C08 | C10 | C11 | H8 | 61.7° | 30.0° |
| S12 | C10 | C08 | C07 | 3.7° | 0.0° |
| C10 | S12 | C13 | C07 | 0.6° | 0.1° |
| C10 | S12 | C13 | N14 | 177.4° | 179.9° |
| S12 | C10 | C11 | H6 | 0.0° | 89.7° |
| S12 | C10 | C11 | H7 | 120.0° | 30.2° |
| S12 | C10 | C11 | H8 | 120.0° | 150.3° |
| C08 | C07 | C01 | S02 | 20.7° | 40.6° |
| C08 | C07 | C13 | S12 | 2.8° | 0.2° |
| C08 | C07 | C13 | C01 | 173.3° | 180.0° |
| C08 | C07 | C13 | N14 | 179.9° | 179.9° |
| C08 | C07 | C01 | N16 | 152.8° | 160.4° |
| C08 | C07 | C01 | H3 | 92.1° | 79.8° |
| O05 | C04 | C03 | S02 | 175.3° | 180.0° |
| O05 | C04 | C03 | H4 | 54.7° | 60.0° |
| O05 | C04 | C03 | H5 | 64.2° | 60.0° |
| C04 | C03 | S02 | H4 | 120.5° | 120.0° |
| C04 | C03 | S02 | H5 | 120.5° | 120.0° |
| C04 | C03 | S02 | C01 | 173.8° | 180.0° |
| C04 | C03 | H4 | H5 | 118.3° | 120.0° |
| C03 | C04 | O05 | H12 | 177.8° | 180.0° |
| C03 | S02 | C01 | C07 | 161.1° | 135.4° |
| C03 | S02 | C01 | N16 | 27.7° | 105.5° |
| C03 | S02 | C01 | H3 | 84.9° | 15.0° |
| S02 | C03 | H4 | H5 | 118.4° | 120.0° |
| S02 | C01 | C07 | C13 | 167.7° | 139.4° |
| S02 | C01 | C07 | N16 | 132.1° | 119.9° |
| S02 | C01 | C07 | H3 | 112.8° | 120.4° |
| S02 | C01 | N16 | H3 | 110.6° | 120.4° |
| S02 | C01 | N16 | C15 | 171.8° | 171.9° |
| C01 | S02 | C03 | H4 | 65.7° | 60.0° |
| C01 | S02 | C03 | H5 | 53.3° | 60.0° |
| S02 | C01 | N16 | H10 | 68.1° | 47.2° |
| S12 | C13 | C07 | N14 | 177.1° | 180.0° |
| S12 | C13 | C07 | C01 | 176.1° | 179.8° |
| S12 | C13 | N14 | C15 | 174.0° | 167.8° |
| S12 | C13 | N14 | H9 | 64.1° | 12.1° |
| C13 | C07 | C01 | N16 | 35.6° | 19.5° |
| C07 | C13 | N14 | C15 | 2.5° | 12.2° |
| C13 | C07 | C01 | H3 | 79.5° | 100.2° |
| C07 | C13 | N14 | H9 | 119.4° | 167.9° |
| C01 | C07 | C13 | N14 | 6.8° | 0.1° |
| C07 | C01 | N16 | H3 | 114.6° | 119.8° |
| C07 | C01 | N16 | C15 | 53.4° | 52.1° |
| C07 | C01 | N16 | H10 | 66.7° | 72.6° |
| C13 | N14 | C15 | N16 | 17.1° | 43.3° |
| C13 | N14 | C15 | H9 | 121.9° | 179.9° |
| C13 | N14 | C15 | H1 | 138.0° | 76.5° |
| C13 | N14 | C15 | H2 | 103.8° | 163.2° |
| C01 | N16 | C15 | H10 | 120.1° | 124.7° |
| C01 | N16 | C15 | N14 | 44.2° | 65.3° |
| C01 | N16 | C15 | H1 | 165.1° | 54.4° |
| C01 | N16 | C15 | H2 | 76.7° | 174.9° |
| N16 | C15 | N14 | H1 | 120.9° | 119.7° |
| N16 | C15 | N14 | H2 | 120.9° | 119.9° |
| N16 | C15 | H1 | H2 | 117.2° | 120.6° |
| C15 | N16 | C01 | H3 | 61.2° | 67.7° |
| N16 | C15 | N14 | H9 | 139.0° | 136.8° |
| N14 | C15 | H1 | H2 | 117.1° | 120.4° |
| N14 | C15 | N16 | H10 | 75.9° | 59.3° |
| H1 | C15 | N14 | H9 | 100.1° | 103.5° |
| H1 | C15 | N16 | H10 | 45.0° | 179.1° |
| H2 | C15 | N14 | H9 | 18.0° | 16.9° |
| H2 | C15 | N16 | H10 | 163.2° | 60.5° |
| H3 | C01 | N16 | H10 | 178.7° | 167.7° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
