6R8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C10 | doub | 1.22Å | 1.28Å | |
| N13 | C01 | sing | 1.47Å | 1.45Å | |
| C10 | O11 | sing | 1.35Å | 1.28Å | |
| C10 | C06 | sing | 1.42Å | 1.52Å | |
| C06 | C01 | sing | 1.51Å | 1.51Å | |
| C06 | C05 | doub | 1.35Å | 1.35Å | |
| C01 | O14 | sing | 1.43Å | 1.49Å | |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.46Å | 1.43Å | |
| C02 | C03 | sing | 1.50Å | 1.36Å | |
| C04 | C03 | doub | 1.33Å | 1.42Å | |
| C04 | N07 | sing | 1.48Å | 1.41Å | |
| O09 | N07 | sing | 1.22Å | 1.42Å | |
| N07 | O08 | doub | 1.22Å | 1.39Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| N13 | H7 | sing | 1.01Å | 1.00Å | |
| N13 | H8 | sing | 1.01Å | 1.00Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C10 | O11 | 123.2° | 120.0° |
| O12 | C10 | C06 | 119.0° | 120.0° |
| N13 | C01 | C06 | 108.7° | 109.3° |
| N13 | C01 | O14 | 106.1° | 109.4° |
| N13 | C01 | C02 | 108.5° | 109.4° |
| C01 | N13 | H7 | 109.5° | 111.0° |
| C01 | N13 | H8 | 109.4° | 111.0° |
| O11 | C10 | C06 | 117.8° | 120.0° |
| C10 | O11 | H2 | 109.5° | 114.0° |
| C10 | C06 | C01 | 116.8° | 120.0° |
| C10 | C06 | C05 | 117.6° | 120.0° |
| C01 | C06 | C05 | 121.9° | 119.9° |
| C06 | C01 | O14 | 109.0° | 109.4° |
| C06 | C01 | C02 | 112.4° | 109.9° |
| C06 | C05 | C04 | 122.2° | 119.5° |
| C06 | C05 | H5 | 118.9° | 120.2° |
| O14 | C01 | C02 | 111.9° | 109.4° |
| C01 | O14 | H1 | 109.5° | 114.0° |
| C01 | C02 | C03 | 121.6° | 110.1° |
| C01 | C02 | H3 | 106.4° | 109.4° |
| C01 | C02 | H6 | 106.4° | 109.4° |
| C05 | C04 | C03 | 117.2° | 119.8° |
| C05 | C04 | N07 | 118.3° | 120.1° |
| C04 | C05 | H5 | 118.9° | 120.3° |
| C02 | C03 | C04 | 121.9° | 120.4° |
| C03 | C02 | H3 | 106.3° | 109.4° |
| C02 | C03 | H4 | 119.1° | 119.8° |
| C03 | C02 | H6 | 106.4° | 109.4° |
| C03 | C04 | N07 | 121.7° | 120.1° |
| C04 | C03 | H4 | 119.0° | 119.8° |
| C04 | N07 | O09 | 121.0° | 120.0° |
| C04 | N07 | O08 | 121.7° | 120.0° |
| O09 | N07 | O08 | 117.4° | 120.0° |
| H3 | C02 | H6 | 109.5° | 109.2° |
| H7 | N13 | H8 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C10 | O11 | C06 | 179.9° | 180.0° |
| O12 | C10 | C06 | C01 | 135.1° | 173.9° |
| O12 | C10 | C06 | C05 | 66.1° | 6.0° |
| O12 | C10 | O11 | H2 | 0.0° | 0.0° |
| N13 | C01 | C06 | C10 | 71.0° | 25.0° |
| N13 | C01 | C06 | O14 | 115.2° | 119.8° |
| N13 | C01 | C06 | C02 | 120.1° | 120.1° |
| N13 | C01 | C06 | C05 | 131.1° | 154.9° |
| N13 | C01 | O14 | C02 | 118.2° | 119.9° |
| N13 | C01 | C02 | C03 | 128.1° | 170.0° |
| N13 | C01 | O14 | H1 | 180.0° | 60.1° |
| N13 | C01 | C02 | H3 | 110.2° | 69.8° |
| C01 | N13 | H7 | H8 | 120.0° | 124.0° |
| N13 | C01 | C02 | H6 | 6.4° | 49.8° |
| O11 | C10 | C06 | C01 | 45.0° | 6.2° |
| O11 | C10 | C06 | C05 | 113.8° | 173.9° |
| C10 | C06 | C01 | C05 | 157.8° | 179.9° |
| C10 | C06 | C01 | O14 | 44.1° | 94.8° |
| C10 | C06 | C01 | C02 | 168.8° | 145.1° |
| C10 | C06 | C05 | C04 | 157.8° | 179.8° |
| C06 | C10 | O11 | H2 | 179.9° | 179.9° |
| C10 | C06 | C05 | H5 | 22.3° | 0.3° |
| C06 | C01 | O14 | C02 | 125.0° | 120.4° |
| C01 | C06 | C05 | C04 | 0.1° | 0.1° |
| C06 | C01 | C02 | C03 | 7.9° | 49.9° |
| C06 | C01 | O14 | H1 | 63.1° | 59.6° |
| C06 | C01 | C02 | H3 | 129.6° | 170.1° |
| C01 | C06 | C05 | H5 | 179.9° | 179.8° |
| C06 | C01 | N13 | H7 | 180.0° | 73.2° |
| C06 | C01 | N13 | H8 | 60.0° | 50.8° |
| C06 | C01 | C02 | H6 | 113.8° | 70.3° |
| C05 | C06 | C01 | O14 | 113.7° | 85.3° |
| C05 | C06 | C01 | C02 | 11.0° | 34.8° |
| C06 | C05 | C04 | H5 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 14.5° | 19.3° |
| C06 | C05 | C04 | N07 | 175.9° | 160.7° |
| O14 | C01 | C02 | C03 | 115.2° | 70.2° |
| O14 | C01 | C02 | H3 | 6.5° | 50.0° |
| O14 | C01 | N13 | H7 | 62.9° | 46.6° |
| O14 | C01 | N13 | H8 | 57.1° | 170.6° |
| O14 | C01 | C02 | H6 | 123.1° | 169.6° |
| C01 | C02 | C03 | H3 | 121.7° | 120.2° |
| C01 | C02 | C03 | H6 | 121.7° | 120.2° |
| C01 | C02 | C03 | C04 | 6.2° | 35.1° |
| C02 | C01 | O14 | H1 | 61.8° | 180.0° |
| C01 | C02 | H3 | H6 | 114.5° | 119.7° |
| C01 | C02 | C03 | H4 | 173.8° | 144.9° |
| C02 | C01 | N13 | H7 | 57.5° | 166.4° |
| C02 | C01 | N13 | H8 | 177.5° | 69.6° |
| C05 | C04 | C03 | C02 | 17.7° | 0.1° |
| C05 | C04 | C03 | N07 | 160.7° | 180.0° |
| C05 | C04 | N07 | O09 | 119.5° | 0.0° |
| C05 | C04 | N07 | O08 | 59.9° | 180.0° |
| C05 | C04 | C03 | H4 | 162.3° | 179.9° |
| C02 | C03 | C04 | H4 | 180.0° | 180.0° |
| C02 | C03 | C04 | N07 | 178.3° | 179.9° |
| C03 | C02 | H3 | H6 | 114.5° | 119.7° |
| C03 | C04 | N07 | O09 | 41.0° | 180.0° |
| C03 | C04 | N07 | O08 | 139.6° | 0.0° |
| C04 | C03 | C02 | H3 | 115.5° | 155.3° |
| C03 | C04 | C05 | H5 | 165.5° | 160.8° |
| C04 | C03 | C02 | H6 | 127.9° | 85.1° |
| C04 | N07 | O09 | O08 | 179.5° | 180.0° |
| N07 | C04 | C03 | H4 | 1.7° | 0.1° |
| N07 | C04 | C05 | H5 | 4.1° | 19.2° |
| H3 | C02 | C03 | H4 | 64.5° | 24.7° |
| H4 | C03 | C02 | H6 | 52.1° | 94.9° |
