ENU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | 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 | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C23 | sing | 1.40Å | 1.44Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | C29 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| O28 | C27 | sing | 1.36Å | 1.38Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | doub | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | S15 | sing | 1.76Å | 1.78Å | |
| C23 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C05 | C25 | sing | 1.48Å | 1.46Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.28Å | Aromatic |
| C25 | C37 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| O16 | S15 | doub | 1.42Å | 1.45Å | |
| C04 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | N03 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| S15 | C17 | sing | 1.81Å | 1.83Å | |
| S15 | O19 | doub | 1.42Å | 1.48Å | |
| C37 | N03 | sing | 1.39Å | 1.37Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.46Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| 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 | 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 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | 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 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | 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 | 106.6° | 109.5° |
| C10 | N09 | C08 | 121.4° | 120.0° |
| N09 | C10 | H102 | 110.2° | 109.5° |
| N09 | C10 | H101 | 110.2° | 109.5° |
| C10 | N09 | H091 | 119.3° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | C21 | 119.9° | 120.0° |
| C11 | C10 | H102 | 110.2° | 109.4° |
| C11 | C10 | H101 | 110.2° | 109.5° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C12 | C11 | C21 | 120.1° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | C14 | 119.1° | 120.0° |
| C12 | C13 | H131 | 120.4° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| O22 | C08 | N09 | 119.6° | 120.0° |
| O22 | C08 | C07 | 122.5° | 120.0° |
| N09 | C08 | C07 | 117.8° | 120.0° |
| C08 | N09 | H091 | 119.3° | 120.0° |
| C11 | C21 | C20 | 119.9° | 120.0° |
| C11 | C21 | H211 | 120.0° | 120.0° |
| C08 | C07 | C06 | 121.7° | 120.1° |
| C08 | C07 | C23 | 116.9° | 120.0° |
| C13 | C14 | C20 | 121.4° | 120.0° |
| C13 | C14 | S15 | 119.0° | 120.0° |
| C14 | C13 | H131 | 120.5° | 120.0° |
| C34 | C33 | C32 | 114.2° | 109.5° |
| C33 | C34 | C29 | 112.5° | 109.4° |
| C34 | C33 | H331 | 108.3° | 109.4° |
| C34 | C33 | H332 | 108.3° | 109.4° |
| C33 | C34 | H341 | 108.7° | 109.5° |
| C33 | C34 | H342 | 108.7° | 109.5° |
| C33 | C32 | C31 | 115.3° | 109.4° |
| C33 | C32 | H321 | 108.0° | 109.5° |
| C33 | C32 | H322 | 108.0° | 109.4° |
| C32 | C33 | H331 | 108.2° | 109.5° |
| C32 | C33 | H332 | 108.2° | 109.5° |
| C06 | C07 | C23 | 121.4° | 119.9° |
| C07 | C06 | C05 | 112.5° | 119.6° |
| C07 | C06 | H061 | 123.7° | 120.2° |
| C07 | C23 | C24 | 122.6° | 120.5° |
| C07 | C23 | H231 | 118.7° | 119.7° |
| C06 | C05 | C25 | 124.5° | 133.5° |
| C06 | C05 | C04 | 125.8° | 120.1° |
| C05 | C06 | H061 | 123.7° | 120.3° |
| C34 | C29 | O28 | 112.2° | 109.5° |
| C34 | C29 | C30 | 107.8° | 109.5° |
| C34 | C29 | H291 | 109.6° | 109.5° |
| C29 | C34 | H341 | 108.7° | 109.5° |
| C29 | C34 | H342 | 108.7° | 109.5° |
| C32 | C31 | C30 | 114.5° | 109.5° |
| C32 | C31 | H312 | 108.2° | 109.5° |
| C32 | C31 | H311 | 108.2° | 109.5° |
| C31 | C32 | H321 | 108.0° | 109.5° |
| C31 | C32 | H322 | 108.0° | 109.5° |
| C21 | C20 | C14 | 119.2° | 120.0° |
| C21 | C20 | H201 | 120.4° | 120.0° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C27 | O28 | C29 | 118.6° | 117.0° |
| O28 | C27 | C26 | 117.9° | 119.9° |
| O28 | C27 | C35 | 123.5° | 120.0° |
| O28 | C29 | C30 | 106.7° | 109.5° |
| O28 | C29 | H291 | 111.0° | 109.5° |
| C25 | C26 | C27 | 120.9° | 119.8° |
| C26 | C25 | C05 | 138.6° | 133.5° |
| C26 | C25 | C37 | 120.6° | 120.1° |
| C25 | C26 | H261 | 119.6° | 120.1° |
| C26 | C27 | C35 | 118.7° | 120.1° |
| C27 | C26 | H261 | 119.5° | 120.1° |
| C20 | C14 | S15 | 119.5° | 120.0° |
| C14 | C20 | H201 | 120.4° | 120.0° |
| C14 | S15 | O16 | 110.0° | 104.3° |
| C14 | S15 | C17 | 108.9° | 104.4° |
| C14 | S15 | O19 | 110.4° | 104.3° |
| C23 | C24 | C04 | 112.4° | 120.4° |
| C23 | C24 | H241 | 123.8° | 119.8° |
| C24 | C23 | H231 | 118.7° | 119.8° |
| C25 | C05 | C04 | 109.8° | 106.4° |
| C05 | C25 | C37 | 100.9° | 106.4° |
| C05 | C04 | C24 | 125.3° | 119.5° |
| C05 | C04 | N03 | 112.6° | 108.4° |
| C25 | C37 | N03 | 111.7° | 108.4° |
| C25 | C37 | C36 | 117.9° | 119.4° |
| C27 | C35 | C36 | 120.6° | 120.5° |
| C27 | C35 | H351 | 119.7° | 119.7° |
| C29 | C30 | C31 | 107.7° | 109.4° |
| C30 | C29 | H291 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.9° | 109.4° |
| C29 | C30 | H301 | 109.9° | 109.5° |
| O16 | S15 | C17 | 108.7° | 110.5° |
| O16 | S15 | O19 | 108.9° | 121.1° |
| C24 | C04 | N03 | 122.1° | 132.1° |
| C04 | C24 | H241 | 123.8° | 119.8° |
| C04 | N03 | C37 | 105.0° | 110.4° |
| C04 | N03 | C02 | 128.4° | 124.8° |
| C31 | C30 | H302 | 109.9° | 109.5° |
| C31 | C30 | H301 | 109.9° | 109.5° |
| C30 | C31 | H312 | 108.2° | 109.4° |
| C30 | C31 | H311 | 108.2° | 109.5° |
| C17 | S15 | O19 | 110.0° | 110.5° |
| S15 | C17 | C18 | 109.3° | 109.5° |
| S15 | C17 | H171 | 109.5° | 109.5° |
| S15 | C17 | H172 | 109.5° | 109.5° |
| N03 | C37 | C36 | 130.3° | 132.2° |
| C37 | N03 | C02 | 126.6° | 124.8° |
| C37 | C36 | C35 | 121.3° | 120.1° |
| C37 | C36 | H361 | 119.4° | 119.9° |
| C36 | C35 | H351 | 119.7° | 119.8° |
| C35 | C36 | H361 | 119.3° | 120.0° |
| N03 | C02 | C01 | 109.9° | 109.5° |
| N03 | C02 | H021 | 109.3° | 109.5° |
| N03 | C02 | H022 | 109.4° | 109.5° |
| C18 | C17 | H171 | 109.5° | 109.5° |
| C18 | C17 | H172 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 109.3° | 109.5° |
| C01 | C02 | H022 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 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 | 119.6° | 120.1° |
| N09 | C10 | C11 | C12 | 161.3° | 89.2° |
| C10 | N09 | C08 | O22 | 0.3° | 0.1° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| N09 | C10 | C11 | C21 | 18.5° | 90.1° |
| C10 | N09 | C08 | C07 | 178.1° | 180.0° |
| N09 | C10 | H102 | H101 | 121.3° | 120.0° |
| C10 | C11 | C12 | C21 | 179.7° | 179.2° |
| C10 | C11 | C12 | C13 | 179.4° | 179.7° |
| C11 | C10 | N09 | C08 | 85.4° | 180.0° |
| C10 | C11 | C21 | C20 | 179.5° | 180.0° |
| C11 | C10 | H102 | H101 | 121.3° | 120.0° |
| C10 | C11 | C21 | H211 | 0.5° | 0.5° |
| C10 | C11 | C12 | H121 | 0.6° | 0.3° |
| C11 | C10 | N09 | H091 | 94.6° | 0.1° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | NaN° |
| C12 | C11 | C21 | C20 | 0.2° | 0.7° |
| C12 | C11 | C10 | H102 | 41.7° | 30.8° |
| C12 | C11 | C10 | H101 | 79.2° | 150.8° |
| C11 | C12 | C13 | H131 | 179.9° | 179.7° |
| C12 | C11 | C21 | H211 | 179.8° | 179.7° |
| C13 | C12 | C11 | C21 | 0.3° | 0.5° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C20 | 0.6° | 0.2° |
| C12 | C13 | C14 | S15 | 179.6° | 179.7° |
| O22 | C08 | N09 | C07 | 177.8° | 180.0° |
| O22 | C08 | C07 | C06 | 23.4° | 0.0° |
| O22 | C08 | C07 | C23 | 155.2° | 179.7° |
| O22 | C08 | N09 | H091 | 179.7° | 180.0° |
| N09 | C08 | C07 | C06 | 158.8° | 180.0° |
| N09 | C08 | C07 | C23 | 22.6° | 0.2° |
| C08 | N09 | C10 | H102 | 34.1° | 60.0° |
| C08 | N09 | C10 | H101 | 155.0° | 59.9° |
| C11 | C21 | C20 | H211 | 180.0° | 179.5° |
| C11 | C21 | C20 | C14 | 0.3° | 0.5° |
| C21 | C11 | C10 | H102 | 138.0° | 150.0° |
| C21 | C11 | C10 | H101 | 101.1° | 30.0° |
| C11 | C21 | C20 | H201 | 179.7° | 179.4° |
| C21 | C11 | C12 | H121 | 179.7° | 179.5° |
| C08 | C07 | C06 | C23 | 178.5° | 179.7° |
| C08 | C07 | C06 | C05 | 178.9° | 180.0° |
| C08 | C07 | C23 | C24 | 179.2° | 179.7° |
| C08 | C07 | C06 | H061 | 1.1° | 0.0° |
| C08 | C07 | C23 | H231 | 0.8° | 0.3° |
| C07 | C08 | N09 | H091 | 1.9° | 0.1° |
| C13 | C14 | C20 | C21 | 0.7° | 0.0° |
| C13 | C14 | C20 | S15 | 179.8° | 179.9° |
| C13 | C14 | S15 | O16 | 35.4° | 26.0° |
| C13 | C14 | S15 | C17 | 83.5° | 90.0° |
| C13 | C14 | S15 | O19 | 155.6° | 153.9° |
| C13 | C14 | C20 | H201 | 179.3° | 179.9° |
| C14 | C13 | C12 | H121 | 179.9° | 180.0° |
| C34 | C33 | C32 | H331 | 120.7° | 119.9° |
| C34 | C33 | C32 | H332 | 120.7° | 120.0° |
| C33 | C34 | C29 | H341 | 120.5° | 120.0° |
| C33 | C34 | C29 | H342 | 120.5° | 120.0° |
| C34 | C33 | C32 | C31 | 41.7° | 60.0° |
| C33 | C34 | C29 | O28 | 64.7° | 180.0° |
| C33 | C34 | C29 | C30 | 52.4° | 60.0° |
| C33 | C34 | C29 | H291 | 171.5° | 60.0° |
| C34 | C33 | C32 | H321 | 162.6° | 60.0° |
| C34 | C33 | C32 | H322 | 79.1° | 180.0° |
| C34 | C33 | H331 | H332 | 117.9° | 119.9° |
| C33 | C34 | H341 | H342 | 118.6° | 120.0° |
| C32 | C33 | C34 | C29 | 3.9° | 60.0° |
| C33 | C32 | C31 | H321 | 120.8° | 120.0° |
| C33 | C32 | C31 | H322 | 120.8° | 119.9° |
| C33 | C32 | C31 | C30 | 21.5° | 60.1° |
| C33 | C32 | C31 | H312 | 99.2° | 180.0° |
| C33 | C32 | C31 | H311 | 142.2° | 60.0° |
| C33 | C32 | H321 | H322 | 117.3° | 120.0° |
| C32 | C33 | H331 | H332 | 117.8° | 120.1° |
| C32 | C33 | C34 | H341 | 116.5° | 180.0° |
| C32 | C33 | C34 | H342 | 124.4° | 60.0° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C23 | C24 | 0.7° | 0.6° |
| C07 | C06 | C05 | C25 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C06 | C07 | C23 | H231 | 179.3° | 180.0° |
| C23 | C07 | C06 | C05 | 0.4° | 0.3° |
| C07 | C23 | C24 | H231 | 180.0° | 179.4° |
| C07 | C23 | C24 | C04 | 0.6° | 0.6° |
| C07 | C23 | C24 | H241 | 179.5° | 179.8° |
| C23 | C07 | C06 | H061 | 179.6° | 179.8° |
| C06 | C05 | C25 | C26 | 0.6° | 0.0° |
| C06 | C05 | C25 | C04 | 179.9° | 180.0° |
| C06 | C05 | C25 | C37 | 179.7° | 180.0° |
| C06 | C05 | C04 | C24 | 0.1° | 0.1° |
| C06 | C05 | C04 | N03 | 179.6° | 180.0° |
| C34 | C29 | O28 | C27 | 147.3° | 84.7° |
| C34 | C29 | O28 | C30 | 117.8° | 120.0° |
| C34 | C29 | O28 | H291 | 122.9° | 120.0° |
| C34 | C29 | C30 | H291 | 119.1° | 120.0° |
| C34 | C29 | C30 | C31 | 72.8° | 60.0° |
| C34 | C29 | C30 | H302 | 167.5° | 60.0° |
| C34 | C29 | C30 | H301 | 46.9° | 180.0° |
| C29 | C34 | C33 | H331 | 116.7° | 180.0° |
| C29 | C34 | C33 | H332 | 124.6° | 60.0° |
| C29 | C34 | H341 | H342 | 118.6° | 120.0° |
| C32 | C31 | C30 | C29 | 34.2° | 60.0° |
| C32 | C31 | C30 | H312 | 120.7° | 120.0° |
| C32 | C31 | C30 | H311 | 120.7° | 120.1° |
| C32 | C31 | C30 | H302 | 153.9° | 59.9° |
| C32 | C31 | C30 | H301 | 85.5° | 180.0° |
| C32 | C31 | H312 | H311 | 117.7° | 120.0° |
| C31 | C32 | H321 | H322 | 117.4° | 120.0° |
| C31 | C32 | C33 | H331 | 79.0° | 180.0° |
| C31 | C32 | C33 | H332 | 162.5° | 59.9° |
| C21 | C20 | C14 | H201 | 180.0° | 179.9° |
| C21 | C20 | C14 | S15 | 179.5° | 179.9° |
| O28 | C27 | C26 | C25 | 179.7° | 180.0° |
| O28 | C27 | C26 | C35 | 179.8° | 180.0° |
| C27 | O28 | C29 | C30 | 95.0° | 155.2° |
| O28 | C27 | C35 | C36 | 178.9° | 180.0° |
| O28 | C27 | C26 | H261 | 0.4° | 0.1° |
| C27 | O28 | C29 | H291 | 24.3° | 35.2° |
| O28 | C27 | C35 | H351 | 1.1° | 0.1° |
| C29 | O28 | C27 | C26 | 176.5° | 174.6° |
| C29 | O28 | C27 | C35 | 3.7° | 5.4° |
| O28 | C29 | C30 | H291 | 120.2° | 120.0° |
| O28 | C29 | C30 | C31 | 47.9° | 180.0° |
| O28 | C29 | C30 | H302 | 71.9° | 60.0° |
| O28 | C29 | C30 | H301 | 167.6° | 60.0° |
| O28 | C29 | C34 | H341 | 55.7° | 60.0° |
| O28 | C29 | C34 | H342 | 174.8° | 60.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C26 | C25 | C05 | C37 | 179.1° | 180.0° |
| C26 | C25 | C05 | C04 | 179.3° | 180.0° |
| C25 | C26 | C27 | C35 | 0.2° | 0.0° |
| C26 | C25 | C37 | N03 | 179.4° | 180.0° |
| C26 | C25 | C37 | C36 | 0.3° | 0.0° |
| C27 | C26 | C25 | C05 | 179.4° | 180.0° |
| C27 | C26 | C25 | C37 | 0.4° | 0.0° |
| C26 | C27 | C35 | C36 | 0.9° | 0.1° |
| C26 | C27 | C35 | H351 | 179.0° | 180.0° |
| C20 | C14 | S15 | O16 | 144.4° | 153.8° |
| C20 | C14 | S15 | C17 | 96.7° | 90.1° |
| C20 | C14 | S15 | O19 | 24.2° | 25.9° |
| C20 | C14 | C13 | H131 | 179.4° | 180.0° |
| C14 | C20 | C21 | H211 | 179.7° | 180.0° |
| C14 | S15 | O16 | C17 | 119.1° | 111.7° |
| C14 | S15 | O16 | O19 | 121.1° | 116.8° |
| C14 | S15 | C17 | O19 | 121.1° | 111.6° |
| C14 | S15 | C17 | C18 | 52.3° | 180.0° |
| S15 | C14 | C13 | H131 | 0.4° | 0.1° |
| C14 | S15 | C17 | H171 | 67.6° | 60.0° |
| C14 | S15 | C17 | H172 | 172.3° | 60.0° |
| S15 | C14 | C20 | H201 | 0.5° | 0.0° |
| C23 | C24 | C04 | C05 | 0.3° | 0.4° |
| C23 | C24 | C04 | H241 | 180.0° | 179.6° |
| C23 | C24 | C04 | N03 | 179.8° | 179.7° |
| C25 | C05 | C04 | C24 | 179.8° | 179.9° |
| C25 | C05 | C04 | N03 | 0.3° | 0.0° |
| C05 | C25 | C37 | N03 | 0.1° | 0.0° |
| C05 | C25 | C37 | C36 | 179.6° | 180.0° |
| C05 | C25 | C26 | H261 | 0.6° | 0.1° |
| C25 | C05 | C06 | H061 | 0.2° | 0.0° |
| C04 | C05 | C25 | C37 | 0.2° | 0.0° |
| C05 | C04 | C24 | N03 | 179.4° | 179.9° |
| C05 | C04 | N03 | C37 | 0.3° | 0.0° |
| C05 | C04 | N03 | C02 | 179.8° | 180.0° |
| C05 | C04 | C24 | H241 | 179.7° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C25 | C37 | N03 | C04 | 0.1° | 0.0° |
| C25 | C37 | N03 | C36 | 179.6° | 180.0° |
| C25 | C37 | C36 | C35 | 0.5° | 0.1° |
| C25 | C37 | N03 | C02 | 179.6° | 180.0° |
| C37 | C25 | C26 | H261 | 179.6° | 179.9° |
| C25 | C37 | C36 | H361 | 179.5° | 180.0° |
| C27 | C35 | C36 | C37 | 1.1° | 0.1° |
| C27 | C35 | C36 | H351 | 180.0° | 179.9° |
| C35 | C27 | C26 | H261 | 179.8° | 179.9° |
| C27 | C35 | C36 | H361 | 178.9° | 180.0° |
| C29 | C30 | C31 | H302 | 119.7° | 119.9° |
| C29 | C30 | C31 | H301 | 119.7° | 120.0° |
| C29 | C30 | H302 | H301 | 120.8° | 120.0° |
| C29 | C30 | C31 | H312 | 154.9° | 180.0° |
| C29 | C30 | C31 | H311 | 86.6° | 60.1° |
| C30 | C29 | C34 | H341 | 172.9° | 180.0° |
| C30 | C29 | C34 | H342 | 68.0° | 60.0° |
| O16 | S15 | C17 | O19 | 119.1° | 136.8° |
| O16 | S15 | C17 | C18 | 172.1° | 68.3° |
| O16 | S15 | C17 | H171 | 52.2° | 171.6° |
| O16 | S15 | C17 | H172 | 67.9° | 51.7° |
| C24 | C04 | N03 | C37 | 179.8° | 179.9° |
| C24 | C04 | N03 | C02 | 0.7° | 0.1° |
| C04 | C24 | C23 | H231 | 179.4° | 180.0° |
| C04 | N03 | C37 | C02 | 179.5° | 180.0° |
| C04 | N03 | C37 | C36 | 179.7° | 180.0° |
| C04 | N03 | C02 | C01 | 90.5° | 90.0° |
| N03 | C04 | C24 | H241 | 0.3° | 0.1° |
| C04 | N03 | C02 | H021 | 29.6° | 30.0° |
| C04 | N03 | C02 | H022 | 149.4° | 150.0° |
| C31 | C30 | C29 | H291 | 168.1° | 60.0° |
| C31 | C30 | H302 | H301 | 120.8° | 120.1° |
| C30 | C31 | H312 | H311 | 117.7° | 120.0° |
| C30 | C31 | C32 | H321 | 142.3° | 60.0° |
| C30 | C31 | C32 | H322 | 99.4° | 180.0° |
| S15 | C17 | C18 | H171 | 120.0° | 120.0° |
| S15 | C17 | C18 | H172 | 120.0° | 120.0° |
| S15 | C17 | H171 | H172 | 120.1° | 120.0° |
| S15 | C17 | C18 | H183 | 180.0° | 180.0° |
| S15 | C17 | C18 | H181 | 60.0° | 60.1° |
| S15 | C17 | C18 | H182 | 60.0° | 60.0° |
| O19 | S15 | C17 | C18 | 68.8° | 68.4° |
| O19 | S15 | C17 | H171 | 171.2° | 51.6° |
| O19 | S15 | C17 | H172 | 51.2° | 171.6° |
| N03 | C37 | C36 | C35 | 179.9° | 180.0° |
| C37 | N03 | C02 | C01 | 89.0° | 90.0° |
| C37 | N03 | C02 | H021 | 151.0° | 150.0° |
| C37 | N03 | C02 | H022 | 31.1° | 30.0° |
| N03 | C37 | C36 | H361 | 0.1° | 0.0° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C36 | C37 | N03 | C02 | 0.7° | 0.0° |
| C37 | C36 | C35 | H351 | 178.9° | 180.0° |
| N03 | C02 | C01 | H021 | 120.0° | 120.0° |
| N03 | C02 | C01 | H022 | 120.1° | 120.0° |
| N03 | C02 | C01 | H012 | 180.0° | 180.0° |
| N03 | C02 | C01 | H013 | 60.0° | 60.1° |
| N03 | C02 | C01 | H011 | 60.0° | 60.0° |
| N03 | C02 | H021 | H022 | 119.8° | 120.0° |
| C18 | C17 | H171 | H172 | 120.1° | 120.0° |
| C17 | C18 | H183 | H181 | 120.0° | 119.9° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 119.8° | 120.0° |
| H102 | C10 | N09 | H091 | 145.8° | 120.0° |
| H101 | C10 | N09 | H091 | 25.0° | 120.0° |
| H131 | C13 | C12 | H121 | 0.1° | 0.3° |
| H171 | C17 | C18 | H183 | 60.0° | 59.9° |
| H171 | C17 | C18 | H181 | 180.0° | 60.0° |
| H171 | C17 | C18 | H182 | 60.0° | 180.0° |
| H172 | C17 | C18 | H183 | 60.1° | 60.0° |
| H172 | C17 | C18 | H181 | 59.9° | 179.9° |
| H172 | C17 | C18 | H182 | 179.9° | 60.0° |
| H201 | C20 | C21 | H211 | 0.3° | 0.1° |
| H241 | C24 | C23 | H231 | 0.5° | 0.3° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H012 | C01 | C02 | H021 | 60.0° | 60.0° |
| H012 | C01 | C02 | H022 | 59.9° | 60.0° |
| H013 | C01 | C02 | H021 | 180.0° | 59.9° |
| H013 | C01 | C02 | H022 | 60.1° | 179.9° |
| H011 | C01 | C02 | H021 | 60.1° | 180.0° |
| H011 | C01 | C02 | H022 | 179.9° | 60.0° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H291 | C29 | C30 | H302 | 48.3° | 180.0° |
| H291 | C29 | C30 | H301 | 72.2° | 60.0° |
| H291 | C29 | C34 | H341 | 68.0° | 60.0° |
| H291 | C29 | C34 | H342 | 51.1° | 180.0° |
| H302 | C30 | C31 | H312 | 85.4° | 60.1° |
| H302 | C30 | C31 | H311 | 33.2° | 180.0° |
| H301 | C30 | C31 | H312 | 35.2° | 60.0° |
| H301 | C30 | C31 | H311 | 153.7° | 59.9° |
| H312 | C31 | C32 | H321 | 21.6° | 60.0° |
| H312 | C31 | C32 | H322 | 139.9° | 60.1° |
| H311 | C31 | C32 | H321 | 96.9° | 180.0° |
| H311 | C31 | C32 | H322 | 21.4° | 59.9° |
| H321 | C32 | C33 | H331 | 41.9° | 60.0° |
| H321 | C32 | C33 | H332 | 76.7° | 180.0° |
| H322 | C32 | C33 | H331 | 160.2° | 60.1° |
| H322 | C32 | C33 | H332 | 41.6° | 60.0° |
| H331 | C33 | C34 | H341 | 122.8° | 60.0° |
| H331 | C33 | C34 | H342 | 3.7° | 60.0° |
| H332 | C33 | C34 | H341 | 4.1° | 60.0° |
| H332 | C33 | C34 | H342 | 114.9° | 180.0° |
| H351 | C35 | C36 | H361 | 1.1° | 0.0° |
