A1BHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C04 | C03 | doub | 1.41Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.34Å | Aromatic |
| N07 | C06 | sing | 1.47Å | 1.45Å | |
| O09 | C08 | doub | 1.22Å | 1.20Å | |
| C08 | N07 | sing | 1.34Å | 1.46Å | |
| C10 | N07 | sing | 1.40Å | 1.47Å | |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.42Å | 1.32Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.44Å | Aromatic |
| C16 | C13 | sing | 1.41Å | 1.45Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| N20 | C11 | sing | 1.40Å | 1.50Å | |
| C21 | N20 | sing | 1.48Å | 1.47Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C23 | C22 | sing | 1.54Å | 1.54Å | |
| N24 | C23 | sing | 1.48Å | 1.47Å | |
| C25 | N24 | sing | 1.44Å | 1.46Å | |
| C26 | C25 | sing | 1.54Å | 1.54Å | |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C27 | C05 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.53Å | |
| N30 | C02 | sing | 1.35Å | 1.46Å | |
| C31 | N30 | sing | 1.39Å | 1.44Å | |
| N32 | C31 | doub | 1.30Å | 1.39Å | Aromatic |
| C33 | N32 | sing | 1.32Å | 1.45Å | Aromatic |
| C34 | C33 | sing | 1.51Å | 1.53Å | |
| C35 | C33 | doub | 1.33Å | 1.43Å | Aromatic |
| S36 | C35 | sing | 1.76Å | 1.61Å | Aromatic |
| C37 | C35 | sing | 1.51Å | 1.53Å | |
| C03 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C08 | sing | 1.48Å | 1.55Å | |
| C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C19 | sing | 1.40Å | 1.45Å | Aromatic |
| N20 | C26 | sing | 1.40Å | 1.47Å | |
| C31 | S36 | sing | 1.71Å | 1.64Å | Aromatic |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| N24 | H242 | sing | 1.01Å | 1.00Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 118.9° | 120.0° |
| O01 | C02 | N30 | 120.2° | 120.1° |
| C03 | C04 | C05 | 122.1° | 119.3° |
| C04 | C03 | C02 | 126.3° | 120.2° |
| C04 | C03 | C29 | 116.5° | 119.6° |
| C03 | C04 | C08 | 129.1° | 132.3° |
| C04 | C05 | C06 | 110.2° | 106.5° |
| C04 | C05 | C27 | 121.9° | 120.4° |
| C05 | C04 | C08 | 108.8° | 108.3° |
| C06 | N07 | C08 | 109.3° | 108.7° |
| C06 | N07 | C10 | 128.2° | 125.7° |
| N07 | C06 | C05 | 105.9° | 106.2° |
| N07 | C06 | H061 | 110.3° | 110.1° |
| N07 | C06 | H062 | 110.4° | 110.1° |
| O09 | C08 | N07 | 125.7° | 124.9° |
| O09 | C08 | C04 | 128.5° | 124.8° |
| C08 | N07 | C10 | 122.5° | 125.7° |
| N07 | C08 | C04 | 105.8° | 110.3° |
| N07 | C10 | C11 | 118.4° | 119.7° |
| N07 | C10 | C15 | 120.1° | 119.7° |
| C10 | C11 | C12 | 115.8° | 119.4° |
| C10 | C11 | N20 | 122.3° | 120.4° |
| C11 | C10 | C15 | 121.4° | 120.6° |
| C12 | C13 | C14 | 123.6° | 119.6° |
| C12 | C13 | C16 | 122.3° | 119.3° |
| C13 | C12 | C11 | 122.7° | 119.3° |
| C13 | C12 | C19 | 123.8° | 119.4° |
| C15 | C14 | C13 | 115.8° | 120.0° |
| C14 | C15 | C10 | 120.7° | 121.0° |
| C15 | C14 | H141 | 122.1° | 120.0° |
| C14 | C15 | H151 | 119.7° | 119.5° |
| C14 | C13 | C16 | 114.2° | 121.1° |
| C13 | C14 | H141 | 122.1° | 120.0° |
| C13 | C16 | C17 | 115.8° | 119.7° |
| C13 | C16 | H161 | 122.1° | 120.2° |
| C16 | C17 | C18 | 121.6° | 121.0° |
| C17 | C16 | H161 | 122.1° | 120.2° |
| C16 | C17 | H171 | 119.2° | 119.5° |
| C17 | C18 | C19 | 121.1° | 120.9° |
| C18 | C17 | H171 | 119.2° | 119.5° |
| C17 | C18 | H181 | 119.5° | 119.5° |
| C18 | C19 | C12 | 115.3° | 119.7° |
| C19 | C18 | H181 | 119.4° | 119.5° |
| C18 | C19 | H191 | 122.4° | 120.2° |
| C12 | C11 | N20 | 121.8° | 120.3° |
| C11 | C12 | C19 | 113.5° | 121.3° |
| C11 | N20 | C21 | 111.7° | 111.0° |
| C11 | N20 | C26 | 113.2° | 111.0° |
| N20 | C21 | C22 | 114.0° | 108.5° |
| C21 | N20 | C26 | 133.3° | 114.1° |
| N20 | C21 | H212 | 108.3° | 109.7° |
| N20 | C21 | H211 | 108.3° | 109.6° |
| C21 | C22 | C23 | 111.6° | 112.1° |
| C22 | C21 | H212 | 108.3° | 109.7° |
| C22 | C21 | H211 | 108.3° | 109.7° |
| C21 | C22 | H221 | 109.0° | 109.0° |
| C21 | C22 | H222 | 109.0° | 108.9° |
| C22 | C23 | N24 | 111.4° | 112.5° |
| C23 | C22 | H221 | 108.9° | 109.0° |
| C23 | C22 | H222 | 108.9° | 108.9° |
| C22 | C23 | H231 | 109.0° | 108.9° |
| C22 | C23 | H232 | 109.0° | 108.9° |
| C23 | N24 | C25 | 112.7° | 113.9° |
| N24 | C23 | H231 | 109.0° | 108.9° |
| N24 | C23 | H232 | 109.0° | 108.8° |
| C23 | N24 | H242 | 108.7° | 111.0° |
| N24 | C25 | C26 | 113.8° | 108.9° |
| N24 | C25 | H251 | 108.4° | 109.6° |
| N24 | C25 | H252 | 108.4° | 109.6° |
| C25 | N24 | H242 | 108.6° | 111.0° |
| C25 | C26 | N20 | 116.6° | 112.0° |
| C26 | C25 | H251 | 108.4° | 109.6° |
| C26 | C25 | H252 | 108.4° | 109.6° |
| C25 | C26 | H262 | 107.7° | 109.0° |
| C25 | C26 | H261 | 107.7° | 109.0° |
| C06 | C05 | C27 | 127.9° | 133.1° |
| C05 | C06 | H061 | 110.4° | 110.2° |
| C05 | C06 | H062 | 110.4° | 110.1° |
| C05 | C27 | C28 | 117.3° | 120.2° |
| C05 | C27 | H271 | 121.3° | 119.9° |
| C27 | C28 | C29 | 121.1° | 120.3° |
| C28 | C27 | H271 | 121.3° | 119.9° |
| C27 | C28 | H281 | 119.5° | 119.8° |
| C28 | C29 | C03 | 121.2° | 120.2° |
| C29 | C28 | H281 | 119.4° | 119.9° |
| C28 | C29 | H291 | 119.4° | 119.9° |
| C03 | C02 | N30 | 120.9° | 120.0° |
| C02 | C03 | C29 | 117.2° | 120.2° |
| C02 | N30 | C31 | 122.2° | 120.0° |
| C02 | N30 | H301 | 118.9° | 120.1° |
| N30 | C31 | N32 | 119.0° | 125.0° |
| N30 | C31 | S36 | 130.4° | 124.9° |
| C31 | N30 | H301 | 118.9° | 120.0° |
| C31 | N32 | C33 | 111.4° | 116.9° |
| N32 | C31 | S36 | 110.5° | 110.1° |
| N32 | C33 | C34 | 122.1° | 122.7° |
| N32 | C33 | C35 | 109.9° | 114.6° |
| C34 | C33 | C35 | 127.9° | 122.7° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H343 | 109.4° | 109.4° |
| C33 | C35 | S36 | 110.3° | 108.0° |
| C33 | C35 | C37 | 124.8° | 126.0° |
| S36 | C35 | C37 | 124.9° | 126.0° |
| C35 | S36 | C31 | 97.8° | 90.4° |
| C35 | C37 | H371 | 109.5° | 109.4° |
| C35 | C37 | H372 | 109.4° | 109.5° |
| C35 | C37 | H373 | 109.5° | 109.5° |
| C03 | C29 | H291 | 119.4° | 119.9° |
| C10 | C15 | H151 | 119.6° | 119.5° |
| C12 | C19 | H191 | 122.3° | 120.2° |
| N20 | C26 | H262 | 107.6° | 108.9° |
| N20 | C26 | H261 | 107.6° | 108.9° |
| H061 | C06 | H062 | 109.5° | 110.0° |
| H212 | C21 | H211 | 109.5° | 109.6° |
| H221 | C22 | H222 | 109.5° | 109.0° |
| H231 | C23 | H232 | 109.5° | 108.8° |
| H251 | C25 | H252 | 109.5° | 109.6° |
| H262 | C26 | H261 | 109.5° | 109.0° |
| H342 | C34 | H341 | 109.5° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 167.8° | 0.3° |
| O01 | C02 | C03 | N30 | 179.9° | 179.7° |
| O01 | C02 | N30 | C31 | 1.0° | 0.0° |
| O01 | C02 | C03 | C29 | 13.0° | 180.0° |
| O01 | C02 | N30 | H301 | 179.0° | 180.0° |
| C03 | C04 | C05 | C08 | 179.8° | 180.0° |
| C03 | C04 | C08 | O09 | 0.8° | 0.0° |
| C03 | C04 | C08 | N07 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | C05 | C27 | 0.1° | 0.0° |
| C04 | C03 | C29 | C28 | 0.7° | 0.6° |
| C04 | C03 | C02 | C29 | 179.2° | 179.7° |
| C04 | C03 | C02 | N30 | 12.1° | 179.4° |
| C04 | C03 | C29 | H291 | 179.3° | 179.8° |
| C04 | C05 | C06 | N07 | 0.1° | 0.0° |
| C05 | C04 | C08 | O09 | 179.4° | 180.0° |
| C05 | C04 | C08 | N07 | 0.1° | 0.0° |
| C04 | C05 | C06 | C27 | 179.7° | 180.0° |
| C04 | C05 | C27 | C28 | 0.4° | 0.0° |
| C05 | C04 | C03 | C02 | 179.6° | 180.0° |
| C05 | C04 | C03 | C29 | 0.4° | 0.3° |
| C04 | C05 | C06 | H061 | 119.4° | 119.2° |
| C04 | C05 | C06 | H062 | 119.5° | 119.2° |
| C04 | C05 | C27 | H271 | 179.6° | 180.0° |
| C06 | N07 | C08 | O09 | 179.5° | 180.0° |
| C06 | N07 | C08 | C10 | 179.1° | 180.0° |
| C06 | N07 | C10 | C11 | 58.5° | 90.3° |
| N07 | C06 | C05 | H061 | 119.4° | 119.2° |
| N07 | C06 | C05 | H062 | 119.5° | 119.2° |
| N07 | C06 | C05 | C27 | 179.8° | 180.0° |
| C06 | N07 | C08 | C04 | 0.2° | 0.0° |
| C06 | N07 | C10 | C15 | 124.2° | 90.0° |
| N07 | C06 | H061 | H062 | 121.6° | 121.5° |
| O09 | C08 | N07 | C04 | 179.3° | 180.0° |
| O09 | C08 | N07 | C10 | 1.4° | 0.1° |
| C08 | N07 | C10 | C11 | 120.4° | 89.7° |
| C08 | N07 | C06 | C05 | 0.1° | 0.0° |
| C08 | N07 | C10 | C15 | 56.9° | 90.0° |
| C08 | N07 | C06 | H061 | 119.3° | 119.3° |
| C08 | N07 | C06 | H062 | 119.6° | 119.2° |
| N07 | C10 | C11 | C15 | 177.2° | 179.7° |
| N07 | C10 | C15 | C14 | 178.6° | 179.7° |
| N07 | C10 | C11 | C12 | 178.6° | 180.0° |
| N07 | C10 | C11 | N20 | 1.8° | 0.1° |
| C10 | N07 | C06 | C05 | 179.2° | 180.0° |
| C10 | N07 | C08 | C04 | 179.3° | 180.0° |
| C10 | N07 | C06 | H061 | 59.7° | 60.8° |
| C10 | N07 | C06 | H062 | 61.4° | 60.7° |
| N07 | C10 | C15 | H151 | 1.4° | 0.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C11 | C10 | C15 | C14 | 1.4° | 0.6° |
| C10 | C11 | C12 | N20 | 179.7° | 179.9° |
| C10 | C11 | N20 | C21 | 67.8° | 118.0° |
| C10 | C11 | C12 | C19 | 179.6° | 180.0° |
| C10 | C11 | N20 | C26 | 99.1° | 114.0° |
| C11 | C10 | C15 | H151 | 178.6° | 179.7° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C12 | C13 | C14 | C16 | 179.9° | 180.0° |
| C12 | C13 | C16 | C17 | 0.0° | 0.0° |
| C13 | C12 | C19 | C18 | 0.2° | 0.0° |
| C13 | C12 | C11 | C19 | 179.8° | 180.0° |
| C13 | C12 | C11 | N20 | 179.7° | 179.9° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C16 | H161 | 180.0° | 180.0° |
| C13 | C12 | C19 | H191 | 179.8° | 179.9° |
| C15 | C14 | C13 | H141 | 180.0° | 179.8° |
| C15 | C14 | C13 | C16 | 179.9° | 179.7° |
| C14 | C15 | C10 | H151 | 180.0° | 179.7° |
| C14 | C13 | C16 | C17 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C10 | 0.7° | 0.5° |
| C14 | C13 | C12 | C19 | 179.8° | 179.9° |
| C13 | C14 | C15 | H151 | 179.3° | 179.8° |
| C14 | C13 | C16 | H161 | 0.1° | 0.0° |
| C13 | C16 | C17 | H161 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 0.0° | 0.1° |
| C16 | C13 | C12 | C11 | 179.9° | 180.0° |
| C16 | C13 | C12 | C19 | 0.1° | 0.0° |
| C16 | C13 | C14 | H141 | 0.1° | 0.1° |
| C13 | C16 | C17 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C12 | 0.2° | 0.0° |
| C18 | C17 | C16 | H161 | 180.0° | 180.0° |
| C17 | C18 | C19 | H191 | 179.8° | 179.9° |
| C18 | C19 | C12 | C11 | 180.0° | 180.0° |
| C18 | C19 | C12 | H191 | 180.0° | 179.9° |
| C19 | C18 | C17 | H171 | 179.9° | 180.0° |
| C12 | C11 | N20 | C21 | 112.5° | 61.9° |
| C12 | C11 | C10 | C15 | 1.3° | 0.3° |
| C12 | C11 | N20 | C26 | 80.5° | 66.1° |
| C11 | C12 | C19 | H191 | 0.0° | 0.1° |
| C11 | N20 | C21 | C26 | 163.5° | 126.3° |
| C11 | N20 | C21 | C22 | 134.9° | 153.8° |
| C11 | N20 | C26 | C25 | 173.5° | 171.9° |
| N20 | C11 | C10 | C15 | 179.0° | 179.8° |
| N20 | C11 | C12 | C19 | 0.1° | 0.1° |
| C11 | N20 | C21 | H212 | 104.5° | 34.0° |
| C11 | N20 | C21 | H211 | 14.2° | 86.4° |
| C11 | N20 | C26 | H262 | 65.5° | 67.5° |
| C11 | N20 | C26 | H261 | 52.4° | 51.2° |
| N20 | C21 | C22 | H212 | 120.6° | 119.8° |
| N20 | C21 | C22 | H211 | 120.6° | 119.8° |
| N20 | C21 | C22 | C23 | 63.4° | 92.5° |
| C21 | N20 | C26 | C25 | 23.3° | 61.8° |
| N20 | C21 | H212 | H211 | 117.9° | 120.4° |
| N20 | C21 | C22 | H221 | 176.3° | 146.8° |
| N20 | C21 | C22 | H222 | 56.9° | 28.0° |
| C21 | N20 | C26 | H262 | 97.8° | 58.9° |
| C21 | N20 | C26 | H261 | 144.3° | 177.6° |
| C21 | C22 | C23 | H221 | 120.3° | 120.7° |
| C21 | C22 | C23 | H222 | 120.3° | 120.6° |
| C21 | C22 | C23 | N24 | 72.9° | 41.4° |
| C22 | C21 | N20 | C26 | 61.7° | 79.9° |
| C22 | C21 | H212 | H211 | 118.0° | 120.5° |
| C21 | C22 | H221 | H222 | 119.1° | 118.7° |
| C21 | C22 | C23 | H231 | 47.4° | 79.4° |
| C21 | C22 | C23 | H232 | 166.8° | 162.1° |
| C22 | C23 | N24 | H231 | 120.3° | 120.8° |
| C22 | C23 | N24 | H232 | 120.3° | 120.7° |
| C22 | C23 | N24 | C25 | 91.2° | 41.7° |
| C23 | C22 | C21 | H212 | 57.3° | 147.7° |
| C23 | C22 | C21 | H211 | 176.0° | 27.3° |
| C23 | C22 | H221 | H222 | 119.0° | 118.6° |
| C22 | C23 | H231 | H232 | 119.1° | 118.5° |
| C22 | C23 | N24 | H242 | 148.3° | 84.5° |
| C23 | N24 | C25 | H242 | 120.5° | 126.2° |
| C23 | N24 | C25 | C26 | 83.9° | 94.3° |
| N24 | C23 | C22 | H221 | 166.8° | 162.1° |
| N24 | C23 | C22 | H222 | 47.4° | 79.2° |
| N24 | C23 | H231 | H232 | 119.1° | 118.5° |
| C23 | N24 | C25 | H251 | 36.8° | 25.6° |
| C23 | N24 | C25 | H252 | 155.5° | 145.9° |
| N24 | C25 | C26 | H251 | 120.6° | 119.8° |
| N24 | C25 | C26 | H252 | 120.7° | 119.9° |
| N24 | C25 | C26 | N20 | 38.2° | 78.8° |
| C25 | N24 | C23 | H231 | 29.1° | 162.5° |
| C25 | N24 | C23 | H232 | 148.5° | 79.0° |
| N24 | C25 | H251 | H252 | 118.0° | 120.3° |
| N24 | C25 | C26 | H262 | 159.2° | 41.8° |
| N24 | C25 | C26 | H261 | 82.8° | 160.6° |
| C25 | C26 | N20 | H262 | 121.0° | 120.6° |
| C25 | C26 | N20 | H261 | 121.1° | 120.7° |
| C26 | C25 | H251 | H252 | 118.1° | 120.3° |
| C25 | C26 | H262 | H261 | 116.8° | 118.8° |
| C26 | C25 | N24 | H242 | 155.7° | 31.9° |
| C06 | C05 | C27 | C28 | 179.9° | 180.0° |
| C06 | C05 | C04 | C08 | 0.1° | 0.0° |
| C05 | C06 | H061 | H062 | 121.6° | 121.6° |
| C06 | C05 | C27 | H271 | 0.1° | 0.0° |
| C05 | C27 | C28 | H271 | 180.0° | 180.0° |
| C05 | C27 | C28 | C29 | 0.1° | 0.3° |
| C27 | C05 | C04 | C08 | 179.7° | 180.0° |
| C27 | C05 | C06 | H061 | 60.4° | 60.8° |
| C27 | C05 | C06 | H062 | 60.8° | 60.8° |
| C05 | C27 | C28 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C27 | C28 | C29 | C03 | 0.5° | 0.6° |
| C27 | C28 | C29 | H291 | 179.5° | 179.8° |
| C28 | C29 | C03 | C02 | 180.0° | 179.7° |
| C28 | C29 | C03 | H291 | 180.0° | 179.6° |
| C29 | C28 | C27 | H271 | 179.9° | 179.7° |
| C03 | C02 | N30 | C31 | 179.1° | 179.7° |
| C02 | C03 | C04 | C08 | 0.6° | 0.0° |
| C02 | C03 | C29 | H291 | 0.0° | 0.1° |
| C03 | C02 | N30 | H301 | 0.9° | 0.3° |
| C02 | N30 | C31 | H301 | 180.0° | 180.0° |
| C02 | N30 | C31 | N32 | 172.6° | 0.3° |
| N30 | C02 | C03 | C29 | 167.2° | 0.3° |
| C02 | N30 | C31 | S36 | 6.0° | 180.0° |
| N30 | C31 | N32 | S36 | 178.8° | 179.7° |
| N30 | C31 | N32 | C33 | 179.5° | 180.0° |
| N30 | C31 | S36 | C35 | 179.2° | 180.0° |
| C31 | N32 | C33 | C34 | 179.1° | 180.0° |
| C31 | N32 | C33 | C35 | 0.5° | 0.2° |
| N32 | C31 | S36 | C35 | 0.6° | 0.3° |
| N32 | C31 | N30 | H301 | 7.4° | 179.7° |
| N32 | C33 | C34 | C35 | 179.5° | 179.8° |
| N32 | C33 | C35 | S36 | 0.0° | 0.0° |
| N32 | C33 | C35 | C37 | 180.0° | 180.0° |
| C33 | N32 | C31 | S36 | 0.7° | 0.3° |
| N32 | C33 | C34 | H342 | 0.0° | 89.9° |
| N32 | C33 | C34 | H341 | 120.0° | 150.1° |
| N32 | C33 | C34 | H343 | 120.0° | 30.1° |
| C34 | C33 | C35 | S36 | 179.5° | 179.8° |
| C34 | C33 | C35 | C37 | 0.5° | 0.2° |
| C33 | C34 | H342 | H341 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C33 | C35 | S36 | C37 | 180.0° | 180.0° |
| C33 | C35 | S36 | C31 | 0.3° | 0.1° |
| C35 | C33 | C34 | H342 | 179.5° | 89.8° |
| C35 | C33 | C34 | H341 | 59.5° | 30.2° |
| C35 | C33 | C34 | H343 | 60.5° | 150.1° |
| C33 | C35 | C37 | H371 | 180.0° | 90.1° |
| C33 | C35 | C37 | H372 | 60.0° | 150.0° |
| C33 | C35 | C37 | H373 | 60.0° | 30.0° |
| S36 | C35 | C37 | H371 | 0.0° | 89.9° |
| S36 | C35 | C37 | H372 | 120.0° | 30.0° |
| S36 | C35 | C37 | H373 | 120.0° | 150.1° |
| C37 | C35 | S36 | C31 | 179.7° | 179.9° |
| C35 | C37 | H371 | H372 | 120.0° | 120.0° |
| C35 | C37 | H371 | H373 | 120.0° | 120.1° |
| C35 | C37 | H372 | H373 | 120.0° | 120.1° |
| C29 | C03 | C04 | C08 | 179.8° | 179.7° |
| C03 | C29 | C28 | H281 | 179.5° | 179.7° |
| C10 | C15 | C14 | H141 | 179.3° | 179.7° |
| C12 | C19 | C18 | H181 | 179.8° | 180.0° |
| C26 | N20 | C21 | H212 | 59.0° | 160.3° |
| C26 | N20 | C21 | H211 | 177.7° | 40.0° |
| N20 | C26 | C25 | H251 | 82.4° | 41.1° |
| N20 | C26 | C25 | H252 | 158.9° | 161.4° |
| N20 | C26 | H262 | H261 | 116.7° | 118.7° |
| S36 | C31 | N30 | H301 | 174.0° | 0.0° |
| H141 | C14 | C15 | H151 | 0.7° | 0.0° |
| H161 | C16 | C17 | H171 | 0.0° | 0.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.1° |
| H212 | C21 | C22 | H221 | 63.0° | 27.0° |
| H212 | C21 | C22 | H222 | 177.6° | 91.7° |
| H211 | C21 | C22 | H221 | 55.7° | 93.4° |
| H211 | C21 | C22 | H222 | 63.7° | 147.8° |
| H221 | C22 | C23 | H231 | 73.0° | 41.3° |
| H221 | C22 | C23 | H232 | 46.5° | 77.2° |
| H222 | C22 | C23 | H231 | 167.7° | 160.0° |
| H222 | C22 | C23 | H232 | 72.9° | 41.5° |
| H231 | C23 | N24 | H242 | 91.4° | 36.3° |
| H232 | C23 | N24 | H242 | 28.1° | 154.8° |
| H251 | C25 | C26 | H262 | 38.6° | 161.7° |
| H251 | C25 | C26 | H261 | 156.5° | 79.5° |
| H251 | C25 | N24 | H242 | 83.7° | 151.8° |
| H252 | C25 | C26 | H262 | 80.1° | 78.1° |
| H252 | C25 | C26 | H261 | 37.8° | 40.8° |
| H252 | C25 | N24 | H242 | 35.0° | 87.9° |
| H271 | C27 | C28 | H281 | 0.0° | 0.0° |
| H281 | C28 | C29 | H291 | 0.5° | 0.1° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
