M75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N07 | C06 | doub | 1.31Å | 1.31Å | Aromatic |
| N07 | C03 | sing | 1.34Å | 1.32Å | Aromatic |
| C06 | N05 | sing | 1.35Å | 1.33Å | Aromatic |
| O12 | S02 | doub | 1.42Å | 1.65Å | |
| N08 | S02 | sing | 1.66Å | 1.72Å | |
| N08 | C09 | sing | 1.47Å | 1.48Å | |
| C03 | S02 | sing | 1.76Å | 1.81Å | |
| C03 | C04 | doub | 1.35Å | 1.40Å | Aromatic |
| S02 | O01 | doub | 1.42Å | 1.65Å | |
| N05 | C04 | sing | 1.37Å | 1.32Å | Aromatic |
| C09 | C11 | sing | 1.53Å | 1.38Å | |
| C09 | C10 | sing | 1.53Å | 1.39Å | |
| C11 | C10 | sing | 1.53Å | 1.39Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| N05 | H8 | sing | 0.97Å | 1.00Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | N07 | C03 | 107.0° | 109.2° |
| N07 | C06 | N05 | 110.6° | 108.7° |
| N07 | C06 | H4 | 124.7° | 125.6° |
| N07 | C03 | S02 | 123.6° | 126.0° |
| N07 | C03 | C04 | 108.9° | 108.0° |
| C06 | N05 | C04 | 108.5° | 107.2° |
| N05 | C06 | H4 | 124.7° | 125.7° |
| C06 | N05 | H8 | 125.8° | 126.4° |
| O12 | S02 | N08 | 108.1° | 106.4° |
| O12 | S02 | C03 | 105.3° | 106.4° |
| O12 | S02 | O01 | 109.3° | 123.1° |
| S02 | N08 | C09 | 120.7° | 120.0° |
| N08 | S02 | C03 | 115.2° | 107.2° |
| N08 | S02 | O01 | 111.2° | 106.4° |
| S02 | N08 | H10 | 106.6° | 120.1° |
| N08 | C09 | C11 | 148.3° | 117.5° |
| N08 | C09 | C10 | 151.1° | 117.5° |
| N08 | C09 | H5 | 91.2° | 115.5° |
| C09 | N08 | H10 | 106.6° | 120.0° |
| S02 | C03 | C04 | 127.5° | 126.0° |
| C03 | S02 | O01 | 107.4° | 106.4° |
| C03 | C04 | N05 | 105.0° | 106.8° |
| C03 | C04 | H3 | 127.5° | 126.5° |
| N05 | C04 | H3 | 127.5° | 126.6° |
| C04 | N05 | H8 | 125.8° | 126.4° |
| C11 | C09 | C10 | 60.4° | 60.0° |
| C09 | C11 | C10 | 60.0° | 60.0° |
| C11 | C09 | H5 | 91.3° | 117.6° |
| C09 | C11 | H6 | 120.0° | 117.5° |
| C09 | C11 | H7 | 120.0° | 117.5° |
| C09 | C10 | C11 | 59.6° | 60.0° |
| C09 | C10 | H1 | 120.1° | 117.5° |
| C09 | C10 | H2 | 120.1° | 117.5° |
| C10 | C09 | H5 | 91.2° | 117.5° |
| C11 | C10 | H1 | 120.1° | 117.5° |
| C11 | C10 | H2 | 120.1° | 117.5° |
| C10 | C11 | H6 | 120.0° | 117.5° |
| C10 | C11 | H7 | 120.0° | 117.5° |
| H1 | C10 | H2 | 109.4° | 115.6° |
| H6 | C11 | H7 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N07 | C06 | N05 | H4 | 180.0° | 179.7° |
| C06 | N07 | C03 | S02 | 178.1° | 179.8° |
| C06 | N07 | C03 | C04 | 0.4° | 0.5° |
| N07 | C06 | N05 | C04 | 0.1° | 0.3° |
| N07 | C06 | N05 | H8 | 179.9° | 180.0° |
| C03 | N07 | C06 | N05 | 0.2° | 0.5° |
| N07 | C03 | S02 | O12 | 55.4° | 156.1° |
| N07 | C03 | S02 | N08 | 63.7° | 90.3° |
| N07 | C03 | S02 | C04 | 177.2° | 179.7° |
| N07 | C03 | S02 | O01 | 171.8° | 23.2° |
| N07 | C03 | C04 | N05 | 0.4° | 0.3° |
| N07 | C03 | C04 | H3 | 179.6° | 179.7° |
| C03 | N07 | C06 | H4 | 179.8° | 179.8° |
| C06 | N05 | C04 | C03 | 0.3° | 0.0° |
| C06 | N05 | C04 | H8 | 180.0° | 179.7° |
| C06 | N05 | C04 | H3 | 179.7° | 180.0° |
| O12 | S02 | N08 | C03 | 117.4° | 113.6° |
| O12 | S02 | N08 | O01 | 120.1° | 132.9° |
| O12 | S02 | N08 | C09 | 171.5° | 178.6° |
| O12 | S02 | C03 | O01 | 116.4° | 132.9° |
| O12 | S02 | C03 | C04 | 121.8° | 23.5° |
| O12 | S02 | N08 | H10 | 49.9° | 1.4° |
| S02 | N08 | C09 | H10 | 121.6° | 180.0° |
| N08 | S02 | C03 | O01 | 124.5° | 113.5° |
| N08 | S02 | C03 | C04 | 119.1° | 90.0° |
| S02 | N08 | C09 | C11 | 112.0° | 145.0° |
| S02 | N08 | C09 | C10 | 76.9° | 146.4° |
| S02 | N08 | C09 | H5 | 17.8° | 0.7° |
| C09 | N08 | S02 | C03 | 71.1° | 65.0° |
| C09 | N08 | S02 | O01 | 51.4° | 48.5° |
| N08 | C09 | C11 | C10 | 175.1° | 107.5° |
| N08 | C09 | C11 | H5 | 94.2° | 145.0° |
| N08 | C09 | C10 | H5 | 94.6° | 145.0° |
| N08 | C09 | C10 | H1 | 76.0° | 145.0° |
| N08 | C09 | C10 | H2 | 65.3° | 0.0° |
| N08 | C09 | C11 | H6 | 65.6° | 145.0° |
| N08 | C09 | C11 | H7 | 75.5° | 0.0° |
| S02 | C03 | C04 | N05 | 178.0° | 180.0° |
| S02 | C03 | C04 | H3 | 2.0° | 0.0° |
| C03 | S02 | N08 | H10 | 167.4° | 115.0° |
| C04 | C03 | S02 | O01 | 5.4° | 156.5° |
| C03 | C04 | N05 | H3 | 180.0° | 180.0° |
| C03 | C04 | N05 | H8 | 179.7° | 179.7° |
| O01 | S02 | N08 | H10 | 70.1° | 131.5° |
| C04 | N05 | C06 | H4 | 180.0° | 180.0° |
| C11 | C09 | C10 | H5 | 90.7° | 107.5° |
| C09 | C11 | C10 | H6 | 109.5° | 107.5° |
| C09 | C11 | C10 | H7 | 109.5° | 107.5° |
| C11 | C09 | C10 | H1 | 109.4° | 107.6° |
| C11 | C09 | C10 | H2 | 109.4° | 107.5° |
| C09 | C11 | H6 | H7 | 144.8° | 145.7° |
| C11 | C09 | N08 | H10 | 126.4° | 35.0° |
| C09 | C10 | H1 | H2 | 145.0° | 145.6° |
| C10 | C09 | N08 | H10 | 44.7° | 33.6° |
| C11 | C10 | H1 | H2 | 144.9° | 145.7° |
| C10 | C11 | H6 | H7 | 144.7° | 145.7° |
| H1 | C10 | C09 | H5 | 18.6° | 0.0° |
| H1 | C10 | C11 | H6 | 141.2° | 0.1° |
| H1 | C10 | C11 | H7 | 0.1° | 145.0° |
| H2 | C10 | C09 | H5 | 159.9° | 145.0° |
| H2 | C10 | C11 | H6 | 0.1° | 145.0° |
| H2 | C10 | C11 | H7 | 141.1° | 0.1° |
| H3 | C04 | N05 | H8 | 0.3° | 0.2° |
| H4 | C06 | N05 | H8 | 0.0° | 0.3° |
| H5 | C09 | C11 | H6 | 159.8° | 0.0° |
| H5 | C09 | C11 | H7 | 18.8° | 145.0° |
| H5 | C09 | N08 | H10 | 139.3° | 179.3° |
