ENR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.46Å | 1.44Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| O22 | C08 | doub | 1.22Å | 1.19Å | |
| N09 | C08 | sing | 1.35Å | 1.44Å | |
| C11 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.51Å | |
| C31 | C29 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| O28 | C29 | sing | 1.43Å | 1.39Å | |
| O28 | C27 | sing | 1.36Å | 1.40Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C25 | sing | 1.48Å | 1.45Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.36Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | S15 | sing | 1.76Å | 1.79Å | |
| C27 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| C25 | C34 | doub | 1.40Å | 1.34Å | Aromatic |
| O18 | S15 | doub | 1.42Å | 1.47Å | |
| C24 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.37Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | N03 | sing | 1.39Å | 1.37Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.42Å | Aromatic |
| S15 | C16 | sing | 1.81Å | 1.80Å | |
| S15 | O19 | doub | 1.42Å | 1.47Å | |
| N03 | C02 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C10 | C11 | 106.4° | 109.5° |
| C10 | N09 | C08 | 119.1° | 120.0° |
| N09 | C10 | H102 | 110.3° | 109.5° |
| N09 | C10 | H101 | 110.3° | 109.5° |
| C10 | N09 | H091 | 120.4° | 119.9° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | C21 | 119.8° | 120.0° |
| C11 | C10 | H102 | 110.3° | 109.5° |
| C11 | C10 | H101 | 110.2° | 109.5° |
| C11 | C12 | C13 | 119.5° | 120.0° |
| C12 | C11 | C21 | 121.1° | 120.0° |
| C11 | C12 | H121 | 120.3° | 120.0° |
| C12 | C13 | C14 | 118.8° | 120.0° |
| C12 | C13 | H131 | 120.6° | 120.0° |
| C13 | C12 | H121 | 120.3° | 120.0° |
| O22 | C08 | N09 | 120.8° | 120.0° |
| O22 | C08 | C07 | 120.5° | 120.0° |
| N09 | C08 | C07 | 118.7° | 120.0° |
| C08 | N09 | H091 | 120.5° | 120.0° |
| C11 | C21 | C20 | 119.6° | 120.0° |
| C11 | C21 | H211 | 120.2° | 119.9° |
| C08 | C07 | C06 | 118.9° | 120.1° |
| C08 | C07 | C23 | 120.4° | 120.0° |
| C31 | C29 | O28 | 107.5° | 109.5° |
| C31 | C29 | C30 | 110.5° | 109.5° |
| C31 | C29 | H291 | 109.9° | 109.4° |
| C29 | C31 | H313 | 109.5° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H312 | 109.5° | 109.4° |
| C13 | C14 | C20 | 122.9° | 120.0° |
| C13 | C14 | S15 | 118.8° | 120.0° |
| C14 | C13 | H131 | 120.6° | 120.0° |
| C06 | C07 | C23 | 120.7° | 119.9° |
| C07 | C06 | C05 | 118.0° | 119.5° |
| C07 | C06 | H061 | 121.0° | 120.3° |
| C07 | C23 | C24 | 120.8° | 120.6° |
| C07 | C23 | H231 | 119.6° | 119.7° |
| C06 | C05 | C25 | 132.2° | 133.5° |
| C06 | C05 | C04 | 121.9° | 120.1° |
| C05 | C06 | H061 | 121.0° | 120.2° |
| C29 | O28 | C27 | 119.0° | 117.0° |
| O28 | C29 | C30 | 107.3° | 109.5° |
| O28 | C29 | H291 | 111.7° | 109.5° |
| O28 | C27 | C26 | 117.2° | 119.9° |
| O28 | C27 | C32 | 123.1° | 119.9° |
| C21 | C20 | C14 | 118.1° | 120.0° |
| C21 | C20 | H201 | 120.9° | 120.0° |
| C20 | C21 | H211 | 120.2° | 120.0° |
| C30 | C29 | H291 | 109.9° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.4° | 109.4° |
| C27 | C26 | C25 | 117.3° | 119.7° |
| C26 | C27 | C32 | 119.7° | 120.1° |
| C27 | C26 | H261 | 121.4° | 120.1° |
| C26 | C25 | C05 | 130.2° | 133.4° |
| C26 | C25 | C34 | 123.2° | 120.1° |
| C25 | C26 | H261 | 121.4° | 120.2° |
| C23 | C24 | C04 | 118.1° | 120.3° |
| C23 | C24 | H241 | 121.0° | 119.8° |
| C24 | C23 | H231 | 119.6° | 119.7° |
| C25 | C05 | C04 | 105.8° | 106.4° |
| C05 | C25 | C34 | 106.5° | 106.5° |
| C05 | C04 | C24 | 120.5° | 119.5° |
| C05 | C04 | N03 | 110.1° | 108.3° |
| C20 | C14 | S15 | 118.3° | 120.0° |
| C14 | C20 | H201 | 121.0° | 120.0° |
| C14 | S15 | O18 | 110.0° | 104.3° |
| C14 | S15 | C16 | 109.2° | 104.4° |
| C14 | S15 | O19 | 108.8° | 104.3° |
| C27 | C32 | C33 | 121.8° | 120.5° |
| C27 | C32 | H321 | 119.1° | 119.8° |
| C25 | C34 | N03 | 110.3° | 108.3° |
| C25 | C34 | C33 | 121.0° | 119.4° |
| O18 | S15 | C16 | 109.6° | 110.5° |
| O18 | S15 | O19 | 106.3° | 121.0° |
| C24 | C04 | N03 | 129.4° | 132.1° |
| C04 | C24 | H241 | 121.0° | 119.8° |
| C04 | N03 | C34 | 107.3° | 110.4° |
| C04 | N03 | C02 | 125.6° | 124.8° |
| C32 | C33 | C34 | 117.0° | 120.1° |
| C33 | C32 | H321 | 119.1° | 119.7° |
| C32 | C33 | H331 | 121.5° | 120.0° |
| N03 | C34 | C33 | 128.7° | 132.3° |
| C34 | N03 | C02 | 127.1° | 124.8° |
| C34 | C33 | H331 | 121.5° | 119.9° |
| C16 | S15 | O19 | 112.9° | 110.6° |
| S15 | C16 | C17 | 109.9° | 109.5° |
| S15 | C16 | H161 | 109.4° | 109.5° |
| S15 | C16 | H162 | 109.4° | 109.5° |
| N03 | C02 | C01 | 109.9° | 109.5° |
| N03 | C02 | H022 | 109.4° | 109.5° |
| N03 | C02 | H021 | 109.4° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C17 | C16 | H161 | 109.4° | 109.5° |
| C17 | C16 | H162 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.4° | 109.5° |
| C01 | C02 | H021 | 109.3° | 109.4° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.4° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C10 | C11 | H102 | 119.5° | 120.0° |
| N09 | C10 | C11 | H101 | 119.5° | 120.0° |
| N09 | C10 | C11 | C12 | 164.4° | 89.2° |
| C10 | N09 | C08 | O22 | 1.7° | 0.1° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| N09 | C10 | C11 | C21 | 14.6° | 90.0° |
| C10 | N09 | C08 | C07 | 179.4° | 180.0° |
| N09 | C10 | H102 | H101 | 121.4° | 120.0° |
| C10 | C11 | C12 | C21 | 179.0° | 179.2° |
| C10 | C11 | C12 | C13 | 179.7° | 179.7° |
| C11 | C10 | N09 | C08 | 86.4° | 180.0° |
| C10 | C11 | C21 | C20 | 179.9° | 180.0° |
| C11 | C10 | H102 | H101 | 121.4° | 120.0° |
| C10 | C11 | C21 | H211 | 0.0° | 0.5° |
| C10 | C11 | C12 | H121 | 0.3° | 0.3° |
| C11 | C10 | N09 | H091 | 93.6° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C21 | C20 | 1.1° | 0.8° |
| C12 | C11 | C10 | H102 | 44.9° | 30.8° |
| C12 | C11 | C10 | H101 | 76.1° | 150.8° |
| C11 | C12 | C13 | H131 | 180.0° | 179.7° |
| C12 | C11 | C21 | H211 | 178.9° | 179.7° |
| C13 | C12 | C11 | C21 | 0.7° | 0.5° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | C20 | 0.3° | 0.2° |
| C12 | C13 | C14 | S15 | 180.0° | 179.7° |
| O22 | C08 | N09 | C07 | 178.9° | 180.0° |
| O22 | C08 | C07 | C06 | 16.5° | 0.0° |
| O22 | C08 | C07 | C23 | 163.2° | 179.8° |
| O22 | C08 | N09 | H091 | 178.3° | 180.0° |
| N09 | C08 | C07 | C06 | 162.4° | 180.0° |
| N09 | C08 | C07 | C23 | 17.9° | 0.2° |
| C08 | N09 | C10 | H102 | 33.1° | 60.0° |
| C08 | N09 | C10 | H101 | 154.1° | 60.0° |
| C11 | C21 | C20 | H211 | 180.0° | 179.5° |
| C11 | C21 | C20 | C14 | 0.8° | 0.6° |
| C21 | C11 | C10 | H102 | 134.1° | 150.0° |
| C21 | C11 | C10 | H101 | 105.0° | 30.0° |
| C11 | C21 | C20 | H201 | 179.2° | 179.5° |
| C21 | C11 | C12 | H121 | 179.3° | 179.5° |
| C08 | C07 | C06 | C23 | 179.7° | 179.8° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C08 | C07 | C23 | C24 | 179.9° | 179.8° |
| C08 | C07 | C06 | H061 | 0.1° | 0.0° |
| C08 | C07 | C23 | H231 | 0.1° | 0.2° |
| C07 | C08 | N09 | H091 | 0.6° | 0.0° |
| C31 | C29 | O28 | C30 | 118.9° | 120.0° |
| C31 | C29 | O28 | H291 | 120.6° | 120.0° |
| C31 | C29 | O28 | C27 | 82.3° | 84.9° |
| C31 | C29 | C30 | H291 | 121.4° | 120.0° |
| C31 | C29 | C30 | H302 | 180.0° | 59.9° |
| C31 | C29 | C30 | H303 | 60.0° | 180.0° |
| C31 | C29 | C30 | H301 | 60.0° | 60.0° |
| C29 | C31 | H313 | H311 | 120.0° | 120.0° |
| C29 | C31 | H313 | H312 | 120.0° | 119.9° |
| C29 | C31 | H311 | H312 | 120.0° | 119.9° |
| C13 | C14 | C20 | C21 | 0.2° | 0.1° |
| C13 | C14 | C20 | S15 | 179.8° | 179.9° |
| C13 | C14 | S15 | O18 | 31.6° | 153.9° |
| C13 | C14 | S15 | C16 | 88.7° | 90.0° |
| C13 | C14 | S15 | O19 | 147.7° | 26.1° |
| C13 | C14 | C20 | H201 | 179.8° | 180.0° |
| C14 | C13 | C12 | H121 | 180.0° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | C23 | C24 | 0.2° | 0.4° |
| C07 | C06 | C05 | C25 | 178.4° | 180.0° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C06 | C07 | C23 | H231 | 179.8° | 180.0° |
| C23 | C07 | C06 | C05 | 0.1° | 0.2° |
| C07 | C23 | C24 | H231 | 180.0° | 179.6° |
| C07 | C23 | C24 | C04 | 0.2° | 0.4° |
| C07 | C23 | C24 | H241 | 179.8° | 179.8° |
| C23 | C07 | C06 | H061 | 179.8° | 179.9° |
| C06 | C05 | C25 | C26 | 2.1° | 0.0° |
| C06 | C05 | C25 | C04 | 178.8° | 180.0° |
| C06 | C05 | C25 | C34 | 179.9° | 180.0° |
| C06 | C05 | C04 | C24 | 0.2° | 0.0° |
| C06 | C05 | C04 | N03 | 179.7° | 180.0° |
| O28 | C29 | C30 | H291 | 121.7° | 120.0° |
| C29 | O28 | C27 | C26 | 167.9° | 174.6° |
| C29 | O28 | C27 | C32 | 12.3° | 5.4° |
| O28 | C29 | C30 | H302 | 63.1° | 180.0° |
| O28 | C29 | C30 | H303 | 176.9° | 60.0° |
| O28 | C29 | C30 | H301 | 57.0° | 60.1° |
| O28 | C29 | C31 | H313 | 180.0° | 59.9° |
| O28 | C29 | C31 | H311 | 60.0° | 180.0° |
| O28 | C29 | C31 | H312 | 60.0° | 60.0° |
| C27 | O28 | C29 | C30 | 158.9° | 155.1° |
| O28 | C27 | C26 | C32 | 179.8° | 180.0° |
| O28 | C27 | C26 | C25 | 179.8° | 180.0° |
| O28 | C27 | C32 | C33 | 179.2° | 180.0° |
| O28 | C27 | C26 | H261 | 0.2° | 0.0° |
| C27 | O28 | C29 | H291 | 38.4° | 35.1° |
| O28 | C27 | C32 | H321 | 0.8° | 0.0° |
| C21 | C20 | C14 | H201 | 180.0° | 179.9° |
| C21 | C20 | C14 | S15 | 179.6° | 180.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H301 | 120.0° | 119.9° |
| C29 | C30 | H303 | H301 | 120.0° | 120.0° |
| C30 | C29 | C31 | H313 | 63.2° | 180.0° |
| C30 | C29 | C31 | H311 | 176.8° | 60.0° |
| C30 | C29 | C31 | H312 | 56.8° | 60.0° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | C05 | 178.5° | 180.0° |
| C27 | C26 | C25 | C34 | 0.7° | 0.0° |
| C26 | C27 | C32 | C33 | 0.6° | 0.0° |
| C26 | C27 | C32 | H321 | 179.4° | 180.0° |
| C26 | C25 | C05 | C34 | 178.1° | 180.0° |
| C26 | C25 | C05 | C04 | 179.2° | 180.0° |
| C25 | C26 | C27 | C32 | 0.0° | 0.0° |
| C26 | C25 | C34 | N03 | 179.3° | 180.0° |
| C26 | C25 | C34 | C33 | 0.7° | 0.0° |
| C23 | C24 | C04 | C05 | 0.2° | 0.2° |
| C23 | C24 | C04 | H241 | 180.0° | 179.8° |
| C23 | C24 | C04 | N03 | 179.6° | 179.8° |
| C25 | C05 | C04 | C24 | 178.7° | 180.0° |
| C25 | C05 | C04 | N03 | 0.8° | 0.0° |
| C05 | C25 | C34 | N03 | 1.0° | 0.0° |
| C05 | C25 | C34 | C33 | 179.0° | 180.0° |
| C05 | C25 | C26 | H261 | 1.5° | 0.0° |
| C25 | C05 | C06 | H061 | 1.6° | 0.1° |
| C04 | C05 | C25 | C34 | 1.1° | 0.0° |
| C05 | C04 | C24 | N03 | 179.5° | 180.0° |
| C05 | C04 | N03 | C34 | 0.2° | 0.0° |
| C05 | C04 | N03 | C02 | 179.5° | 180.0° |
| C05 | C04 | C24 | H241 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 179.9° |
| C20 | C14 | S15 | O18 | 148.6° | 26.0° |
| C20 | C14 | S15 | C16 | 91.1° | 90.1° |
| C20 | C14 | S15 | O19 | 32.5° | 153.8° |
| C20 | C14 | C13 | H131 | 179.8° | 180.0° |
| C14 | C20 | C21 | H211 | 179.2° | 179.9° |
| C14 | S15 | O18 | C16 | 120.1° | 111.7° |
| C14 | S15 | O18 | O19 | 117.6° | 116.8° |
| C14 | S15 | C16 | O19 | 121.2° | 111.7° |
| C14 | S15 | C16 | C17 | 44.8° | 180.0° |
| S15 | C14 | C13 | H131 | 0.0° | 0.1° |
| S15 | C14 | C20 | H201 | 0.4° | 0.1° |
| C14 | S15 | C16 | H161 | 75.3° | 60.0° |
| C14 | S15 | C16 | H162 | 164.8° | 60.0° |
| C27 | C32 | C33 | H321 | 180.0° | 179.9° |
| C27 | C32 | C33 | C34 | 0.6° | 0.0° |
| C32 | C27 | C26 | H261 | 180.0° | 180.0° |
| C27 | C32 | C33 | H331 | 179.4° | 180.0° |
| C25 | C34 | N03 | C04 | 0.5° | 0.0° |
| C25 | C34 | C33 | C32 | 0.1° | 0.0° |
| C25 | C34 | N03 | C33 | 180.0° | 180.0° |
| C25 | C34 | N03 | C02 | 178.8° | 180.0° |
| C34 | C25 | C26 | H261 | 179.3° | 180.0° |
| C25 | C34 | C33 | H331 | 180.0° | 180.0° |
| O18 | S15 | C16 | O19 | 118.2° | 136.8° |
| O18 | S15 | C16 | C17 | 165.3° | 68.4° |
| O18 | S15 | C16 | H161 | 45.3° | 51.6° |
| O18 | S15 | C16 | H162 | 74.6° | 171.6° |
| C24 | C04 | N03 | C34 | 179.3° | 180.0° |
| C24 | C04 | N03 | C02 | 0.0° | 0.1° |
| C04 | C24 | C23 | H231 | 179.8° | 180.0° |
| C04 | N03 | C34 | C02 | 179.3° | 180.0° |
| C04 | N03 | C34 | C33 | 179.5° | 180.0° |
| C04 | N03 | C02 | C01 | 115.1° | 90.0° |
| N03 | C04 | C24 | H241 | 0.4° | 0.0° |
| C04 | N03 | C02 | H022 | 4.9° | 30.1° |
| C04 | N03 | C02 | H021 | 124.8° | 150.0° |
| C32 | C33 | C34 | N03 | 179.9° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C34 | N03 | C02 | C01 | 65.7° | 90.0° |
| C34 | N03 | C02 | H022 | 174.2° | 150.0° |
| C34 | N03 | C02 | H021 | 54.3° | 30.0° |
| N03 | C34 | C33 | H331 | 0.1° | 0.0° |
| C33 | C34 | N03 | C02 | 1.2° | 0.0° |
| C34 | C33 | C32 | H321 | 179.4° | 180.0° |
| S15 | C16 | C17 | H161 | 120.1° | 120.0° |
| S15 | C16 | C17 | H162 | 120.0° | 120.0° |
| S15 | C16 | C17 | H171 | 180.0° | 180.0° |
| S15 | C16 | C17 | H173 | 60.0° | 60.0° |
| S15 | C16 | C17 | H172 | 60.0° | 60.0° |
| S15 | C16 | H161 | H162 | 119.8° | 120.0° |
| O19 | S15 | C16 | C17 | 76.5° | 68.3° |
| O19 | S15 | C16 | H161 | 163.5° | 171.6° |
| O19 | S15 | C16 | H162 | 43.6° | 51.6° |
| N03 | C02 | C01 | H022 | 120.1° | 120.1° |
| N03 | C02 | C01 | H021 | 120.1° | 120.0° |
| N03 | C02 | C01 | H012 | 180.0° | 180.0° |
| N03 | C02 | C01 | H011 | 60.0° | 60.1° |
| N03 | C02 | C01 | H013 | 60.0° | 60.0° |
| N03 | C02 | H022 | H021 | 119.8° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H173 | H172 | 120.0° | 120.1° |
| C17 | C16 | H161 | H162 | 119.8° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 119.8° | 120.0° |
| H102 | C10 | N09 | H091 | 146.8° | 119.9° |
| H101 | C10 | N09 | H091 | 25.9° | 120.0° |
| H131 | C13 | C12 | H121 | 0.0° | 0.2° |
| H171 | C17 | H173 | H172 | 120.0° | 120.0° |
| H171 | C17 | C16 | H161 | 60.0° | 59.9° |
| H171 | C17 | C16 | H162 | 59.9° | 60.0° |
| H173 | C17 | C16 | H161 | 179.9° | 60.0° |
| H173 | C17 | C16 | H162 | 60.0° | 180.0° |
| H172 | C17 | C16 | H161 | 60.1° | 180.0° |
| H172 | C17 | C16 | H162 | 180.0° | 60.0° |
| H201 | C20 | C21 | H211 | 0.8° | 0.0° |
| H241 | C24 | C23 | H231 | 0.2° | 0.2° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H022 | 59.9° | 59.9° |
| H012 | C01 | C02 | H021 | 60.0° | 60.0° |
| H011 | C01 | C02 | H022 | 179.9° | 60.0° |
| H011 | C01 | C02 | H021 | 60.1° | 179.9° |
| H013 | C01 | C02 | H022 | 60.1° | 180.0° |
| H013 | C01 | C02 | H021 | 179.9° | 60.0° |
| H291 | C29 | C30 | H302 | 58.6° | 60.0° |
| H291 | C29 | C30 | H303 | 61.4° | 60.0° |
| H291 | C29 | C30 | H301 | 178.6° | 180.0° |
| H291 | C29 | C31 | H313 | 58.2° | 60.0° |
| H291 | C29 | C31 | H311 | 61.8° | 60.0° |
| H291 | C29 | C31 | H312 | 178.2° | 180.0° |
| H302 | C30 | H303 | H301 | 120.0° | 120.0° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H321 | C32 | C33 | H331 | 0.6° | 0.0° |
