DQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| O1 | CME | sing | 1.43Å | 1.43Å | |
| C2 | O2 | sing | 1.45Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O2 | CA1 | sing | 1.35Å | 1.43Å | |
| C3 | N3 | sing | 1.47Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | CB1 | sing | 1.35Å | 1.34Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| CA1 | OA1 | doub | 1.21Å | 1.23Å | |
| CA1 | CA2 | sing | 1.48Å | 1.50Å | |
| CA2 | CA3 | doub | 1.40Å | 1.39Å | Aromatic |
| CA2 | CA7 | sing | 1.40Å | 1.39Å | Aromatic |
| CA3 | CA4 | sing | 1.38Å | 1.39Å | Aromatic |
| CA4 | CA5 | doub | 1.38Å | 1.39Å | Aromatic |
| CA5 | CA6 | sing | 1.38Å | 1.39Å | Aromatic |
| CA5 | CA8 | sing | 1.51Å | 1.50Å | |
| CA6 | CA7 | doub | 1.38Å | 1.39Å | Aromatic |
| CB1 | OB1 | doub | 1.22Å | 1.22Å | |
| CB1 | CB2 | sing | 1.48Å | 1.51Å | |
| CB2 | CB3 | doub | 1.40Å | 1.40Å | Aromatic |
| CB2 | CB7 | sing | 1.40Å | 1.40Å | Aromatic |
| CB3 | CB4 | sing | 1.38Å | 1.39Å | Aromatic |
| CB4 | CB5 | doub | 1.38Å | 1.39Å | Aromatic |
| CB5 | CB6 | sing | 1.38Å | 1.39Å | Aromatic |
| CB5 | CB8 | sing | 1.51Å | 1.51Å | |
| CB6 | CB7 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| CA3 | HA3 | sing | 1.08Å | 1.08Å | |
| CA4 | HA4 | sing | 1.08Å | 1.08Å | |
| CA6 | HA6 | sing | 1.08Å | 1.08Å | |
| CA7 | HA7 | sing | 1.08Å | 1.08Å | |
| CA8 | HA8 | sing | 1.09Å | 1.10Å | |
| CA8 | HA8A | sing | 1.09Å | 1.10Å | |
| CA8 | HA8B | sing | 1.09Å | 1.10Å | |
| CB3 | HB3 | sing | 1.08Å | 1.08Å | |
| CB4 | HB4 | sing | 1.08Å | 1.08Å | |
| CB6 | HB6 | sing | 1.08Å | 1.08Å | |
| CB7 | HB7 | sing | 1.08Å | 1.08Å | |
| CB8 | HB8 | sing | 1.09Å | 1.10Å | |
| CB8 | HB8A | sing | 1.09Å | 1.10Å | |
| CB8 | HB8B | sing | 1.09Å | 1.10Å | |
| CME | HME | sing | 1.09Å | 1.10Å | |
| CME | HMEA | sing | 1.09Å | 1.10Å | |
| CME | HMEB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.5° | 109.5° |
| O1 | C1 | O5 | 107.2° | 109.5° |
| C1 | O1 | CME | 111.3° | 114.0° |
| O1 | C1 | H1 | 110.7° | 109.5° |
| C2 | C1 | O5 | 110.9° | 109.5° |
| C1 | C2 | O2 | 106.5° | 109.5° |
| C1 | C2 | C3 | 114.0° | 109.1° |
| C2 | C1 | H1 | 107.1° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.6° |
| C1 | O5 | C5 | 111.5° | 114.1° |
| O5 | C1 | H1 | 110.4° | 109.5° |
| O1 | CME | HME | 109.5° | 109.5° |
| O1 | CME | HMEA | 109.4° | 109.4° |
| O1 | CME | HMEB | 109.5° | 109.4° |
| O2 | C2 | C3 | 108.3° | 109.5° |
| C2 | O2 | CA1 | 117.7° | 117.0° |
| O2 | C2 | H2 | 113.9° | 109.5° |
| C2 | C3 | N3 | 110.8° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.1° |
| C3 | C2 | H2 | 106.3° | 109.6° |
| C2 | C3 | H3 | 105.6° | 109.5° |
| O2 | CA1 | OA1 | 121.7° | 120.0° |
| O2 | CA1 | CA2 | 116.5° | 120.0° |
| N3 | C3 | C4 | 105.1° | 109.5° |
| C3 | N3 | CB1 | 126.5° | 120.0° |
| N3 | C3 | H3 | 112.4° | 109.5° |
| C3 | N3 | HN3 | 116.8° | 120.1° |
| C3 | C4 | O4 | 108.5° | 109.5° |
| C3 | C4 | C5 | 113.3° | 109.1° |
| C4 | C3 | H3 | 111.2° | 109.7° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| N3 | CB1 | OB1 | 122.2° | 120.0° |
| N3 | CB1 | CB2 | 118.6° | 120.0° |
| CB1 | N3 | HN3 | 116.7° | 120.0° |
| O4 | C4 | C5 | 110.0° | 109.6° |
| O4 | C4 | H4 | 111.2° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 113.9° |
| C4 | C5 | O5 | 109.8° | 109.4° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C5 | C4 | H4 | 106.1° | 109.5° |
| C4 | C5 | H5 | 107.1° | 109.5° |
| O5 | C5 | C6 | 108.4° | 109.5° |
| O5 | C5 | H5 | 110.8° | 109.5° |
| C5 | C6 | O6 | 110.1° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H6A | 109.3° | 109.4° |
| O6 | C6 | H6 | 109.3° | 109.5° |
| O6 | C6 | H6A | 109.2° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| OA1 | CA1 | CA2 | 121.8° | 120.0° |
| CA1 | CA2 | CA3 | 121.4° | 120.1° |
| CA1 | CA2 | CA7 | 118.6° | 120.2° |
| CA3 | CA2 | CA7 | 120.0° | 119.7° |
| CA2 | CA3 | CA4 | 119.7° | 119.8° |
| CA2 | CA3 | HA3 | 120.1° | 120.1° |
| CA2 | CA7 | CA6 | 120.1° | 119.9° |
| CA2 | CA7 | HA7 | 120.0° | 120.1° |
| CA3 | CA4 | CA5 | 120.0° | 120.2° |
| CA4 | CA3 | HA3 | 120.2° | 120.0° |
| CA3 | CA4 | HA4 | 120.0° | 119.9° |
| CA4 | CA5 | CA6 | 120.1° | 120.3° |
| CA4 | CA5 | CA8 | 120.7° | 119.9° |
| CA5 | CA4 | HA4 | 120.0° | 119.9° |
| CA6 | CA5 | CA8 | 119.1° | 119.9° |
| CA5 | CA6 | CA7 | 120.0° | 120.1° |
| CA5 | CA6 | HA6 | 120.0° | 119.9° |
| CA5 | CA8 | HA8 | 109.5° | 109.5° |
| CA5 | CA8 | HA8A | 109.5° | 109.5° |
| CA5 | CA8 | HA8B | 109.4° | 109.5° |
| CA7 | CA6 | HA6 | 120.0° | 120.0° |
| CA6 | CA7 | HA7 | 119.9° | 120.0° |
| OB1 | CB1 | CB2 | 119.2° | 120.0° |
| CB1 | CB2 | CB3 | 120.4° | 120.2° |
| CB1 | CB2 | CB7 | 120.9° | 120.1° |
| CB3 | CB2 | CB7 | 118.7° | 119.7° |
| CB2 | CB3 | CB4 | 120.8° | 119.9° |
| CB2 | CB3 | HB3 | 119.6° | 120.1° |
| CB2 | CB7 | CB6 | 120.4° | 119.9° |
| CB2 | CB7 | HB7 | 119.8° | 120.1° |
| CB3 | CB4 | CB5 | 120.2° | 120.2° |
| CB4 | CB3 | HB3 | 119.6° | 120.1° |
| CB3 | CB4 | HB4 | 119.9° | 119.9° |
| CB4 | CB5 | CB6 | 119.6° | 120.3° |
| CB4 | CB5 | CB8 | 119.3° | 119.9° |
| CB5 | CB4 | HB4 | 119.9° | 119.9° |
| CB6 | CB5 | CB8 | 121.1° | 119.8° |
| CB5 | CB6 | CB7 | 120.2° | 120.1° |
| CB5 | CB6 | HB6 | 119.9° | 119.9° |
| CB5 | CB8 | HB8 | 109.5° | 109.5° |
| CB5 | CB8 | HB8A | 109.5° | 109.5° |
| CB5 | CB8 | HB8B | 109.5° | 109.5° |
| CB7 | CB6 | HB6 | 119.9° | 120.0° |
| CB6 | CB7 | HB7 | 119.8° | 120.0° |
| H6 | C6 | H6A | 109.7° | 109.5° |
| HA8 | CA8 | HA8A | 109.4° | 109.4° |
| HA8 | CA8 | HA8B | 109.5° | 109.4° |
| HA8A | CA8 | HA8B | 109.5° | 109.4° |
| HB8 | CB8 | HB8A | 109.5° | 109.5° |
| HB8 | CB8 | HB8B | 109.5° | 109.5° |
| HB8A | CB8 | HB8B | 109.5° | 109.5° |
| HME | CME | HMEA | 109.5° | 109.5° |
| HME | CME | HMEB | 109.5° | 109.5° |
| HMEA | CME | HMEB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 118.8° | 120.0° |
| O1 | C1 | C2 | H1 | 120.7° | 120.0° |
| O1 | C1 | O5 | H1 | 120.7° | 120.0° |
| O1 | C1 | C2 | O2 | 49.5° | 57.7° |
| O1 | C1 | C2 | C3 | 168.8° | 177.6° |
| O1 | C1 | O5 | C5 | 176.1° | 178.8° |
| O1 | C1 | C2 | H2 | 73.2° | 62.4° |
| C1 | O1 | CME | HME | 180.0° | 59.9° |
| C1 | O1 | CME | HMEA | 60.0° | 180.0° |
| C1 | O1 | CME | HMEB | 60.0° | 60.1° |
| C2 | C1 | O5 | H1 | 118.5° | 120.0° |
| C2 | C1 | O1 | CME | 169.5° | 175.0° |
| C1 | C2 | O2 | C3 | 122.9° | 119.6° |
| C1 | C2 | O2 | H2 | 119.1° | 120.2° |
| C1 | C2 | C3 | H2 | 119.0° | 120.0° |
| C1 | C2 | O2 | CA1 | 114.8° | 90.0° |
| C1 | C2 | C3 | N3 | 156.6° | 176.8° |
| C1 | C2 | C3 | C4 | 39.6° | 57.0° |
| C2 | C1 | O5 | C5 | 63.1° | 61.2° |
| C1 | C2 | C3 | H3 | 81.5° | 63.1° |
| O5 | C1 | O1 | CME | 69.5° | 65.0° |
| O5 | C1 | C2 | O2 | 69.3° | 62.3° |
| O5 | C1 | C2 | C3 | 50.0° | 57.6° |
| C1 | O5 | C5 | C4 | 64.9° | 61.2° |
| C1 | O5 | C5 | C6 | 172.4° | 178.9° |
| O5 | C1 | C2 | H2 | 168.0° | 177.6° |
| C1 | O5 | C5 | H5 | 53.3° | 58.8° |
| CME | O1 | C1 | H1 | 51.0° | 55.0° |
| O1 | CME | HME | HMEA | 120.0° | 120.0° |
| O1 | CME | HME | HMEB | 120.0° | 120.0° |
| O1 | CME | HMEA | HMEB | 120.0° | 119.9° |
| O2 | C2 | C3 | H2 | 122.7° | 120.1° |
| O2 | C2 | C3 | N3 | 38.4° | 56.9° |
| O2 | C2 | C3 | C4 | 78.6° | 62.9° |
| C2 | O2 | CA1 | OA1 | 16.3° | 0.0° |
| C2 | O2 | CA1 | CA2 | 164.2° | 180.0° |
| O2 | C2 | C1 | H1 | 170.2° | 177.7° |
| O2 | C2 | C3 | H3 | 160.2° | 177.1° |
| C3 | C2 | O2 | CA1 | 122.3° | 150.3° |
| C2 | C3 | N3 | C4 | 121.1° | 119.6° |
| C2 | C3 | N3 | H3 | 117.8° | 120.1° |
| C2 | C3 | C4 | H3 | 117.8° | 120.0° |
| C2 | C3 | N3 | CB1 | 120.0° | 155.0° |
| C2 | C3 | C4 | O4 | 80.9° | 62.9° |
| C2 | C3 | C4 | C5 | 41.5° | 57.0° |
| C3 | C2 | C1 | H1 | 70.5° | 62.4° |
| C2 | C3 | N3 | HN3 | 59.9° | 25.0° |
| C2 | C3 | C4 | H4 | 158.6° | 176.9° |
| O2 | CA1 | OA1 | CA2 | 179.5° | 180.0° |
| O2 | CA1 | CA2 | CA3 | 174.3° | 180.0° |
| O2 | CA1 | CA2 | CA7 | 5.4° | 0.3° |
| CA1 | O2 | C2 | H2 | 4.3° | 30.2° |
| N3 | C3 | C4 | H3 | 121.8° | 120.2° |
| C3 | N3 | CB1 | HN3 | 180.0° | 180.0° |
| N3 | C3 | C4 | O4 | 39.4° | 56.9° |
| N3 | C3 | C4 | C5 | 161.8° | 176.9° |
| C3 | N3 | CB1 | OB1 | 8.4° | 0.0° |
| C3 | N3 | CB1 | CB2 | 168.7° | 180.0° |
| N3 | C3 | C2 | H2 | 84.4° | 63.2° |
| N3 | C3 | C4 | H4 | 81.1° | 63.3° |
| C4 | C3 | N3 | CB1 | 118.9° | 85.5° |
| C3 | C4 | O4 | C5 | 124.5° | 119.7° |
| C3 | C4 | O4 | H4 | 118.2° | 120.1° |
| C3 | C4 | C5 | H4 | 117.9° | 119.8° |
| C3 | C4 | C5 | O5 | 53.6° | 57.7° |
| C3 | C4 | C5 | C6 | 174.2° | 177.6° |
| C4 | C3 | C2 | H2 | 158.7° | 177.0° |
| C4 | C3 | N3 | HN3 | 61.2° | 94.5° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 66.8° | 62.4° |
| N3 | CB1 | OB1 | CB2 | 177.1° | 180.0° |
| N3 | CB1 | CB2 | CB3 | 25.7° | 180.0° |
| N3 | CB1 | CB2 | CB7 | 155.4° | 0.3° |
| CB1 | N3 | C3 | H3 | 2.2° | 34.9° |
| O4 | C4 | C5 | H4 | 120.4° | 120.2° |
| O4 | C4 | C5 | O5 | 68.0° | 62.2° |
| O4 | C4 | C5 | C6 | 52.6° | 57.7° |
| O4 | C4 | C3 | H3 | 161.2° | 177.1° |
| O4 | C4 | C5 | H5 | 171.5° | 177.7° |
| C4 | C5 | O5 | C6 | 122.8° | 119.9° |
| C4 | C5 | O5 | H5 | 118.2° | 120.0° |
| C4 | C5 | C6 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | O6 | 179.6° | 175.1° |
| C5 | C4 | C3 | H3 | 76.3° | 62.9° |
| C5 | C4 | O4 | HO4 | 55.5° | 60.3° |
| C4 | C5 | C6 | H6 | 59.6° | 55.0° |
| C4 | C5 | C6 | H6A | 60.4° | 65.0° |
| O5 | C5 | C6 | H5 | 120.5° | 120.1° |
| O5 | C5 | C6 | O6 | 59.0° | 65.0° |
| C5 | O5 | C1 | H1 | 55.4° | 58.8° |
| O5 | C5 | C4 | H4 | 171.6° | 177.5° |
| O5 | C5 | C6 | H6 | 179.0° | 174.9° |
| O5 | C5 | C6 | H6A | 61.0° | 54.9° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 119.9° |
| C6 | C5 | C4 | H4 | 67.8° | 62.5° |
| C5 | C6 | H6 | H6A | 119.8° | 119.9° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 61.5° | 55.0° |
| O6 | C6 | H6 | H6A | 119.7° | 120.0° |
| OA1 | CA1 | CA2 | CA3 | 5.2° | 0.0° |
| OA1 | CA1 | CA2 | CA7 | 175.0° | 179.7° |
| CA1 | CA2 | CA3 | CA7 | 179.7° | 179.7° |
| CA1 | CA2 | CA3 | CA4 | 179.9° | 180.0° |
| CA1 | CA2 | CA7 | CA6 | 180.0° | 179.8° |
| CA1 | CA2 | CA3 | HA3 | 0.1° | 0.0° |
| CA1 | CA2 | CA7 | HA7 | 0.0° | 0.0° |
| CA2 | CA3 | CA4 | HA3 | 180.0° | 180.0° |
| CA2 | CA3 | CA4 | CA5 | 0.1° | 0.0° |
| CA3 | CA2 | CA7 | CA6 | 0.3° | 0.5° |
| CA2 | CA3 | CA4 | HA4 | 179.9° | 180.0° |
| CA3 | CA2 | CA7 | HA7 | 179.7° | 179.7° |
| CA7 | CA2 | CA3 | CA4 | 0.2° | 0.3° |
| CA2 | CA7 | CA6 | CA5 | 0.2° | 0.5° |
| CA2 | CA7 | CA6 | HA7 | 180.0° | 179.8° |
| CA7 | CA2 | CA3 | HA3 | 179.8° | 179.7° |
| CA2 | CA7 | CA6 | HA6 | 179.8° | 179.7° |
| CA3 | CA4 | CA5 | HA4 | 180.0° | 180.0° |
| CA3 | CA4 | CA5 | CA6 | 0.1° | 0.0° |
| CA3 | CA4 | CA5 | CA8 | 180.0° | 180.0° |
| CA4 | CA5 | CA6 | CA8 | 179.9° | 180.0° |
| CA4 | CA5 | CA6 | CA7 | 0.1° | 0.2° |
| CA5 | CA4 | CA3 | HA3 | 179.9° | 180.0° |
| CA4 | CA5 | CA6 | HA6 | 179.9° | 179.9° |
| CA4 | CA5 | CA8 | HA8 | 90.1° | 90.0° |
| CA4 | CA5 | CA8 | HA8A | 150.0° | 150.0° |
| CA4 | CA5 | CA8 | HA8B | 29.9° | 30.0° |
| CA5 | CA6 | CA7 | HA6 | 180.0° | 179.8° |
| CA6 | CA5 | CA4 | HA4 | 179.9° | 180.0° |
| CA5 | CA6 | CA7 | HA7 | 179.8° | 179.7° |
| CA6 | CA5 | CA8 | HA8 | 90.0° | 90.0° |
| CA6 | CA5 | CA8 | HA8A | 30.0° | 30.0° |
| CA6 | CA5 | CA8 | HA8B | 150.0° | 150.0° |
| CA8 | CA5 | CA6 | CA7 | 179.9° | 179.8° |
| CA8 | CA5 | CA4 | HA4 | 0.0° | 0.0° |
| CA8 | CA5 | CA6 | HA6 | 0.0° | 0.0° |
| CA5 | CA8 | HA8 | HA8A | 120.0° | 120.0° |
| CA5 | CA8 | HA8 | HA8B | 120.0° | 120.1° |
| CA5 | CA8 | HA8A | HA8B | 120.0° | 120.1° |
| OB1 | CB1 | CB2 | CB3 | 151.5° | 0.0° |
| OB1 | CB1 | CB2 | CB7 | 27.4° | 179.7° |
| OB1 | CB1 | N3 | HN3 | 171.6° | 180.0° |
| CB1 | CB2 | CB3 | CB7 | 178.9° | 179.7° |
| CB1 | CB2 | CB3 | CB4 | 179.5° | 180.0° |
| CB1 | CB2 | CB7 | CB6 | 179.5° | 179.7° |
| CB2 | CB1 | N3 | HN3 | 11.3° | 0.0° |
| CB1 | CB2 | CB3 | HB3 | 0.5° | 0.1° |
| CB1 | CB2 | CB7 | HB7 | 0.5° | 0.0° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 179.9° |
| CB2 | CB3 | CB4 | CB5 | 0.3° | 0.1° |
| CB3 | CB2 | CB7 | CB6 | 0.6° | 0.5° |
| CB2 | CB3 | CB4 | HB4 | 179.7° | 180.0° |
| CB3 | CB2 | CB7 | HB7 | 179.5° | 179.7° |
| CB7 | CB2 | CB3 | CB4 | 0.6° | 0.3° |
| CB2 | CB7 | CB6 | CB5 | 0.3° | 0.5° |
| CB2 | CB7 | CB6 | HB7 | 180.0° | 179.7° |
| CB7 | CB2 | CB3 | HB3 | 179.5° | 179.8° |
| CB2 | CB7 | CB6 | HB6 | 179.8° | 179.7° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 180.0° |
| CB3 | CB4 | CB5 | CB6 | 0.0° | 0.0° |
| CB3 | CB4 | CB5 | CB8 | 179.8° | 180.0° |
| CB4 | CB5 | CB6 | CB8 | 179.8° | 180.0° |
| CB4 | CB5 | CB6 | CB7 | 0.0° | 0.2° |
| CB5 | CB4 | CB3 | HB3 | 179.7° | 179.9° |
| CB4 | CB5 | CB6 | HB6 | 180.0° | 180.0° |
| CB4 | CB5 | CB8 | HB8 | 89.9° | 90.0° |
| CB4 | CB5 | CB8 | HB8A | 150.1° | 150.0° |
| CB4 | CB5 | CB8 | HB8B | 30.1° | 30.0° |
| CB5 | CB6 | CB7 | HB6 | 180.0° | 179.8° |
| CB6 | CB5 | CB4 | HB4 | 180.0° | 180.0° |
| CB5 | CB6 | CB7 | HB7 | 179.7° | 179.7° |
| CB6 | CB5 | CB8 | HB8 | 89.9° | 90.0° |
| CB6 | CB5 | CB8 | HB8A | 30.1° | 30.0° |
| CB6 | CB5 | CB8 | HB8B | 150.1° | 150.0° |
| CB8 | CB5 | CB6 | CB7 | 179.8° | 179.8° |
| CB8 | CB5 | CB4 | HB4 | 0.2° | 0.0° |
| CB8 | CB5 | CB6 | HB6 | 0.1° | 0.0° |
| CB5 | CB8 | HB8 | HB8A | 120.0° | 120.0° |
| CB5 | CB8 | HB8 | HB8B | 120.0° | 120.0° |
| CB5 | CB8 | HB8A | HB8B | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 47.5° | 57.6° |
| H2 | C2 | C3 | H3 | 37.5° | 57.0° |
| H3 | C3 | N3 | HN3 | 177.8° | 145.2° |
| H3 | C3 | C4 | H4 | 40.7° | 57.0° |
| H4 | C4 | O4 | HO4 | 61.8° | 59.9° |
| H4 | C4 | C5 | H5 | 51.1° | 57.5° |
| H5 | C5 | C6 | H6 | 58.5° | 65.1° |
| H5 | C5 | C6 | H6A | 178.5° | 175.0° |
| H6 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H6A | C6 | O6 | HO6 | 60.0° | 60.1° |
| HA3 | CA3 | CA4 | HA4 | 0.1° | 0.0° |
| HA6 | CA6 | CA7 | HA7 | 0.2° | 0.1° |
| HA8 | CA8 | HA8A | HA8B | 120.0° | 119.9° |
| HB3 | CB3 | CB4 | HB4 | 0.3° | 0.1° |
| HB6 | CB6 | CB7 | HB7 | 0.2° | 0.0° |
| HB8 | CB8 | HB8A | HB8B | 120.0° | 120.0° |
| HME | CME | HMEA | HMEB | 120.0° | 120.0° |
