E79
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | C4 | sing | 1.51Å | 1.54Å | |
| C6 | O8 | sing | 1.34Å | 1.26Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | N3 | sing | 1.47Å | 1.44Å | |
| C4 | O5 | sing | 1.43Å | 1.39Å | |
| N3 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C9 | sing | 1.53Å | 1.53Å | |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | O11 | sing | 1.34Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| N3 | H8 | sing | 1.01Å | 1.00Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| O8 | H11 | sing | 0.97Å | 0.95Å | |
| O11 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C4 | 119.0° | 120.0° |
| O7 | C6 | O8 | 117.3° | 120.0° |
| C4 | C6 | O8 | 123.7° | 120.0° |
| C6 | C4 | N3 | 115.6° | 109.5° |
| C6 | C4 | O5 | 111.3° | 109.4° |
| C6 | C4 | H5 | 106.5° | 109.5° |
| C6 | O8 | H11 | 109.5° | 117.0° |
| C1 | C2 | N3 | 110.2° | 109.4° |
| C1 | C2 | C9 | 106.1° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C1 | C2 | H4 | 109.6° | 109.5° |
| N3 | C4 | O5 | 107.3° | 109.4° |
| C4 | N3 | C2 | 108.9° | 111.0° |
| N3 | C4 | H5 | 107.6° | 109.4° |
| C4 | N3 | H8 | 109.6° | 111.0° |
| O5 | C4 | H5 | 108.3° | 109.5° |
| C4 | O5 | H10 | 109.5° | 114.0° |
| N3 | C2 | C9 | 111.1° | 109.5° |
| N3 | C2 | H4 | 110.3° | 109.5° |
| C2 | N3 | H8 | 109.6° | 111.0° |
| C2 | C9 | C10 | 116.0° | 109.4° |
| C9 | C2 | H4 | 109.5° | 109.5° |
| C2 | C9 | H6 | 107.8° | 109.5° |
| C2 | C9 | H7 | 107.8° | 109.5° |
| O12 | C10 | C9 | 122.4° | 120.0° |
| O12 | C10 | O11 | 119.0° | 120.0° |
| C9 | C10 | O11 | 118.6° | 120.0° |
| C10 | C9 | H6 | 107.8° | 109.5° |
| C10 | C9 | H7 | 107.8° | 109.4° |
| C10 | O11 | H12 | 109.5° | 116.9° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C4 | O8 | 178.5° | 179.9° |
| O7 | C6 | C4 | N3 | 82.5° | 110.0° |
| O7 | C6 | C4 | O5 | 154.8° | 10.0° |
| O7 | C6 | C4 | H5 | 37.0° | 130.0° |
| O7 | C6 | O8 | H11 | 0.0° | 0.0° |
| C6 | C4 | N3 | O5 | 124.8° | 120.0° |
| C6 | C4 | N3 | H5 | 118.9° | 120.1° |
| C6 | C4 | O5 | H5 | 116.7° | 120.1° |
| C6 | C4 | N3 | C2 | 171.9° | 145.0° |
| C6 | C4 | N3 | H8 | 68.2° | 91.0° |
| C6 | C4 | O5 | H10 | 180.0° | 60.0° |
| C4 | C6 | O8 | H11 | 178.6° | 180.0° |
| O8 | C6 | C4 | N3 | 99.0° | 70.1° |
| O8 | C6 | C4 | O5 | 23.7° | 170.0° |
| O8 | C6 | C4 | H5 | 141.5° | 49.9° |
| C1 | C2 | N3 | C4 | 136.8° | 85.0° |
| C1 | C2 | N3 | C9 | 117.3° | 120.0° |
| C1 | C2 | N3 | H4 | 121.1° | 120.0° |
| C1 | C2 | C9 | H4 | 118.2° | 120.0° |
| C1 | C2 | C9 | C10 | 67.9° | 175.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C9 | H6 | 171.2° | 65.0° |
| C1 | C2 | C9 | H7 | 53.1° | 55.0° |
| C1 | C2 | N3 | H8 | 103.3° | 151.1° |
| N3 | C4 | O5 | H5 | 115.9° | 120.0° |
| C4 | N3 | C2 | H8 | 119.9° | 124.0° |
| C4 | N3 | C2 | C9 | 105.9° | 155.1° |
| C4 | N3 | C2 | H4 | 15.7° | 35.0° |
| N3 | C4 | O5 | H10 | 52.6° | 60.0° |
| O5 | C4 | N3 | C2 | 63.3° | 95.0° |
| O5 | C4 | N3 | H8 | 56.6° | 28.9° |
| N3 | C2 | C9 | H4 | 122.0° | 120.0° |
| N3 | C2 | C9 | C10 | 172.3° | 65.1° |
| N3 | C2 | C1 | H1 | 180.0° | 60.0° |
| N3 | C2 | C1 | H2 | 60.0° | 60.0° |
| N3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | N3 | C4 | H5 | 53.0° | 25.0° |
| N3 | C2 | C9 | H6 | 51.4° | 55.0° |
| N3 | C2 | C9 | H7 | 66.7° | 175.0° |
| C2 | C9 | C10 | O12 | 36.0° | 0.1° |
| C2 | C9 | C10 | H6 | 120.9° | 120.1° |
| C2 | C9 | C10 | H7 | 121.0° | 120.0° |
| C2 | C9 | C10 | O11 | 145.7° | 180.0° |
| C9 | C2 | C1 | H1 | 59.7° | 59.9° |
| C9 | C2 | C1 | H2 | 60.3° | 180.0° |
| C9 | C2 | C1 | H3 | 179.6° | 60.0° |
| C2 | C9 | H6 | H7 | 117.0° | 120.1° |
| C9 | C2 | N3 | H8 | 14.0° | 31.1° |
| O12 | C10 | C9 | O11 | 178.3° | 179.9° |
| O12 | C10 | C9 | H6 | 84.9° | 120.0° |
| O12 | C10 | C9 | H7 | 157.0° | 120.1° |
| O12 | C10 | O11 | H12 | 0.0° | 0.0° |
| C10 | C9 | C2 | H4 | 50.3° | 55.0° |
| C10 | C9 | H6 | H7 | 117.0° | 119.9° |
| C9 | C10 | O11 | H12 | 178.3° | 180.0° |
| O11 | C10 | C9 | H6 | 93.4° | 59.9° |
| O11 | C10 | C9 | H7 | 24.7° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H1 | C1 | C2 | H4 | 58.5° | 180.0° |
| H2 | C1 | C2 | H4 | 178.5° | 60.0° |
| H3 | C1 | C2 | H4 | 61.5° | 60.1° |
| H4 | C2 | C9 | H6 | 70.6° | 175.0° |
| H4 | C2 | C9 | H7 | 171.3° | 65.0° |
| H4 | C2 | N3 | H8 | 135.6° | 89.0° |
| H5 | C4 | N3 | H8 | 172.9° | 148.9° |
| H5 | C4 | O5 | H10 | 63.3° | 180.0° |
