A1AQ8
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 | 1.40Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.49Å | Aromatic |
| C08 | N07 | sing | 1.34Å | 1.42Å | |
| C10 | C09 | doub | 1.38Å | 1.35Å | |
| C11 | C10 | sing | 1.41Å | 1.56Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C14 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.35Å | 1.48Å | |
| O18 | C17 | sing | 1.46Å | 1.60Å | |
| C19 | O18 | sing | 1.35Å | 1.32Å | |
| C21 | C20 | sing | 1.54Å | 1.54Å | |
| C20 | C19 | sing | 1.52Å | 1.61Å | |
| O22 | C19 | doub | 1.21Å | 1.19Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| O23 | C16 | doub | 1.21Å | 1.19Å | |
| N15 | C14 | sing | 1.41Å | 1.49Å | |
| C24 | C14 | doub | 1.36Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| N26 | C24 | sing | 1.36Å | 1.37Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.51Å | |
| O27 | C08 | doub | 1.22Å | 1.19Å | |
| N07 | C06 | sing | 1.39Å | 1.28Å | |
| C28 | C06 | sing | 1.41Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.55Å | |
| N30 | C02 | sing | 1.35Å | 1.47Å | |
| C31 | N30 | sing | 1.46Å | 1.45Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C33 | C31 | sing | 1.51Å | 1.53Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| F37 | C36 | sing | 1.35Å | 1.37Å | |
| C38 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C29 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C28 | sing | 1.48Å | 1.63Å | |
| C11 | N26 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | C21 | sing | 1.54Å | 1.35Å | |
| C33 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 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 | 122.1° | 120.0° |
| O01 | C02 | N30 | 121.5° | 120.0° |
| C03 | C04 | C05 | 122.1° | 120.5° |
| C04 | C03 | C02 | 122.8° | 120.1° |
| C04 | C03 | C29 | 123.3° | 119.8° |
| C03 | C04 | H041 | 118.9° | 119.8° |
| C04 | C05 | C06 | 116.1° | 120.3° |
| C05 | C04 | H041 | 119.0° | 119.8° |
| C04 | C05 | H051 | 121.9° | 119.8° |
| C05 | C06 | N07 | 120.9° | 131.6° |
| C05 | C06 | C28 | 121.9° | 119.3° |
| C06 | C05 | H051 | 121.9° | 119.9° |
| N07 | C08 | C09 | 110.0° | 108.0° |
| N07 | C08 | O27 | 126.0° | 126.0° |
| C08 | N07 | C06 | 109.6° | 111.6° |
| C08 | N07 | H071 | 125.2° | 124.2° |
| C09 | C10 | C11 | 124.0° | 120.0° |
| C10 | C09 | C08 | 135.4° | 127.5° |
| C10 | C09 | C28 | 125.7° | 127.5° |
| C09 | C10 | H101 | 118.0° | 119.9° |
| C10 | C11 | C12 | 124.3° | 126.2° |
| C10 | C11 | N26 | 127.1° | 126.2° |
| C11 | C10 | H101 | 118.0° | 120.0° |
| C11 | C12 | C13 | 125.9° | 126.5° |
| C11 | C12 | C14 | 107.1° | 107.0° |
| C12 | C11 | N26 | 108.6° | 107.6° |
| C13 | C12 | C14 | 127.0° | 126.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C14 | N15 | 125.2° | 126.1° |
| C12 | C14 | C24 | 107.9° | 107.9° |
| N15 | C16 | C17 | 120.4° | 120.0° |
| N15 | C16 | O23 | 120.1° | 120.0° |
| C16 | N15 | C14 | 121.3° | 120.0° |
| C16 | N15 | H151 | 119.4° | 120.0° |
| C17 | O18 | C19 | 109.1° | 109.6° |
| O18 | C17 | C16 | 111.3° | 110.1° |
| O18 | C17 | C21 | 107.0° | 106.4° |
| O18 | C17 | H171 | 107.8° | 110.1° |
| O18 | C19 | C20 | 104.7° | 107.2° |
| O18 | C19 | O22 | 127.5° | 126.4° |
| C21 | C20 | C19 | 105.6° | 103.5° |
| C20 | C21 | C17 | 106.4° | 103.1° |
| C21 | C20 | H202 | 110.4° | 110.7° |
| C21 | C20 | H201 | 110.4° | 110.7° |
| C20 | C21 | H212 | 110.2° | 110.7° |
| C20 | C21 | H211 | 110.2° | 110.7° |
| C20 | C19 | O22 | 127.8° | 126.4° |
| C19 | C20 | H202 | 110.5° | 110.6° |
| C19 | C20 | H201 | 110.4° | 110.6° |
| C17 | C16 | O23 | 119.5° | 120.0° |
| C16 | C17 | C21 | 110.8° | 110.1° |
| C16 | C17 | H171 | 108.8° | 110.1° |
| N15 | C14 | C24 | 126.9° | 126.1° |
| C14 | N15 | H151 | 119.4° | 120.0° |
| C14 | C24 | C25 | 126.2° | 125.6° |
| C14 | C24 | N26 | 107.7° | 108.8° |
| C25 | C24 | N26 | 126.1° | 125.6° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H251 | 109.4° | 109.5° |
| C24 | N26 | C11 | 108.8° | 108.7° |
| C24 | N26 | H261 | 125.6° | 125.6° |
| C09 | C08 | O27 | 124.0° | 126.0° |
| C08 | C09 | C28 | 98.8° | 105.0° |
| N07 | C06 | C28 | 117.2° | 109.1° |
| C06 | N07 | H071 | 125.2° | 124.2° |
| C06 | C28 | C29 | 118.2° | 120.5° |
| C06 | C28 | C09 | 104.4° | 106.3° |
| C28 | C29 | C03 | 118.4° | 119.6° |
| C29 | C28 | C09 | 137.5° | 133.2° |
| C28 | C29 | H291 | 120.8° | 120.2° |
| C03 | C02 | N30 | 116.4° | 120.1° |
| C02 | C03 | C29 | 113.9° | 120.1° |
| C02 | N30 | C31 | 122.4° | 120.0° |
| C02 | N30 | H301 | 118.8° | 120.0° |
| N30 | C31 | C32 | 109.8° | 109.5° |
| N30 | C31 | C33 | 105.1° | 109.5° |
| N30 | C31 | H311 | 110.7° | 109.5° |
| C31 | N30 | H301 | 118.8° | 120.0° |
| C32 | C31 | C33 | 111.8° | 109.4° |
| C31 | C32 | H323 | 109.5° | 109.4° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.4° |
| C32 | C31 | H311 | 109.7° | 109.4° |
| C31 | C33 | C34 | 121.0° | 119.9° |
| C31 | C33 | C39 | 118.9° | 120.0° |
| C33 | C31 | H311 | 109.6° | 109.5° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C34 | C33 | C39 | 120.1° | 120.1° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.0° |
| C35 | C34 | H341 | 120.1° | 120.0° |
| C34 | C35 | H351 | 120.0° | 120.0° |
| C35 | C36 | F37 | 120.2° | 120.0° |
| C35 | C36 | C38 | 120.2° | 119.9° |
| C36 | C35 | H351 | 120.1° | 120.0° |
| F37 | C36 | C38 | 119.6° | 120.0° |
| C36 | C38 | C39 | 119.9° | 120.0° |
| C36 | C38 | H381 | 120.0° | 120.0° |
| C38 | C39 | C33 | 120.0° | 120.0° |
| C39 | C38 | H381 | 120.1° | 120.0° |
| C38 | C39 | H391 | 120.0° | 120.0° |
| C03 | C29 | H291 | 120.8° | 120.2° |
| C11 | N26 | H261 | 125.6° | 125.7° |
| C21 | C17 | H171 | 111.1° | 110.1° |
| C17 | C21 | H212 | 110.2° | 110.7° |
| C17 | C21 | H211 | 110.2° | 110.7° |
| C33 | C39 | H391 | 120.0° | 120.0° |
| H202 | C20 | H201 | 109.5° | 110.5° |
| H212 | C21 | H211 | 109.5° | 110.8° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.4° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H133 | C13 | H131 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.4° | 109.5° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 33.8° | 180.0° |
| O01 | C02 | C03 | N30 | 179.4° | 180.0° |
| O01 | C02 | N30 | C31 | 1.2° | 0.0° |
| O01 | C02 | C03 | C29 | 147.0° | 0.0° |
| O01 | C02 | N30 | H301 | 178.8° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C04 | C03 | C29 | C28 | 0.4° | 0.0° |
| C04 | C03 | C02 | C29 | 179.2° | 180.0° |
| C04 | C03 | C02 | N30 | 146.8° | 0.0° |
| C04 | C03 | C29 | H291 | 179.6° | 180.0° |
| C03 | C04 | C05 | H051 | 179.7° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 180.0° | 180.0° |
| C04 | C05 | C06 | C28 | 0.1° | 0.0° |
| C05 | C04 | C03 | C02 | 179.6° | 180.0° |
| C05 | C04 | C03 | C29 | 0.4° | 0.0° |
| C05 | C06 | N07 | C08 | 179.9° | 179.6° |
| C05 | C06 | N07 | C28 | 180.0° | 180.0° |
| C05 | C06 | C28 | C29 | 0.0° | 0.0° |
| C05 | C06 | C28 | C09 | 180.0° | 179.8° |
| C06 | C05 | C04 | H041 | 179.7° | 179.9° |
| C05 | C06 | N07 | H071 | 0.1° | 0.1° |
| N07 | C08 | C09 | C10 | 179.3° | 179.7° |
| N07 | C08 | C09 | O27 | 179.9° | 179.6° |
| C08 | N07 | C06 | H071 | 180.0° | 179.5° |
| C08 | N07 | C06 | C28 | 0.1° | 0.4° |
| N07 | C08 | C09 | C28 | 0.1° | 0.2° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 136.0° | 154.1° |
| C10 | C09 | C08 | C28 | 179.3° | 179.9° |
| C10 | C09 | C08 | O27 | 0.8° | 0.1° |
| C10 | C09 | C28 | C06 | 179.4° | 179.9° |
| C10 | C09 | C28 | C29 | 0.6° | 0.4° |
| C09 | C10 | C11 | N26 | 45.0° | 25.5° |
| C10 | C11 | C12 | N26 | 179.2° | 179.6° |
| C10 | C11 | C12 | C13 | 0.6° | 0.4° |
| C10 | C11 | C12 | C14 | 179.6° | 180.0° |
| C10 | C11 | N26 | C24 | 179.3° | 179.9° |
| C11 | C10 | C09 | C08 | 1.2° | 7.8° |
| C11 | C10 | C09 | C28 | 179.7° | 172.3° |
| C10 | C11 | N26 | H261 | 0.8° | 0.4° |
| C11 | C12 | C13 | C14 | 179.7° | 179.6° |
| C11 | C12 | C14 | N15 | 179.7° | 179.7° |
| C11 | C12 | C14 | C24 | 0.7° | 0.4° |
| C12 | C11 | N26 | C24 | 0.1° | 0.3° |
| C12 | C11 | C10 | H101 | 44.0° | 25.7° |
| C11 | C12 | C13 | H132 | 90.2° | 85.0° |
| C11 | C12 | C13 | H133 | 149.8° | 155.0° |
| C11 | C12 | C13 | H131 | 29.8° | 34.9° |
| C12 | C11 | N26 | H261 | 179.9° | 180.0° |
| C13 | C12 | C14 | N15 | 0.6° | 0.0° |
| C13 | C12 | C14 | C24 | 179.6° | 180.0° |
| C13 | C12 | C11 | N26 | 179.8° | 180.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 120.0° |
| C12 | C14 | N15 | C16 | 53.4° | 42.9° |
| C12 | C14 | N15 | C24 | 178.8° | 180.0° |
| C12 | C14 | C24 | C25 | 179.5° | 180.0° |
| C12 | C14 | C24 | N26 | 0.6° | 0.2° |
| C14 | C12 | C11 | N26 | 0.5° | 0.4° |
| C14 | C12 | C13 | H132 | 90.2° | 94.5° |
| C14 | C12 | C13 | H133 | 29.9° | 25.5° |
| C14 | C12 | C13 | H131 | 149.8° | 145.5° |
| C12 | C14 | N15 | H151 | 126.6° | 137.2° |
| N15 | C16 | C17 | O18 | 0.7° | 178.0° |
| N15 | C16 | C17 | O23 | 179.7° | 180.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | C24 | 127.8° | 137.1° |
| N15 | C16 | C17 | C21 | 118.2° | 65.0° |
| N15 | C16 | C17 | H171 | 119.3° | 56.5° |
| O18 | C17 | C21 | C20 | 21.3° | 1.1° |
| C17 | O18 | C19 | C20 | 21.4° | 32.9° |
| C17 | O18 | C19 | O22 | 158.6° | 147.2° |
| O18 | C17 | C16 | C21 | 118.9° | 117.0° |
| O18 | C17 | C16 | H171 | 118.6° | 121.5° |
| O18 | C17 | C16 | O23 | 179.0° | 2.0° |
| O18 | C17 | C21 | H171 | 117.4° | 119.2° |
| O18 | C17 | C21 | H212 | 98.2° | 119.5° |
| O18 | C17 | C21 | H211 | 140.8° | 117.3° |
| O18 | C19 | C20 | C21 | 8.9° | 30.7° |
| O18 | C19 | C20 | O22 | 180.0° | 180.0° |
| C19 | O18 | C17 | C16 | 91.9° | 98.0° |
| C19 | O18 | C17 | C21 | 29.3° | 21.3° |
| C19 | O18 | C17 | H171 | 148.9° | 140.5° |
| O18 | C19 | C20 | H202 | 128.3° | 87.9° |
| O18 | C19 | C20 | H201 | 110.5° | 149.3° |
| C21 | C20 | C19 | H202 | 119.4° | 118.6° |
| C21 | C20 | C19 | H201 | 119.4° | 118.6° |
| C21 | C20 | C19 | O22 | 171.1° | 149.4° |
| C20 | C21 | C17 | C16 | 100.2° | 118.2° |
| C20 | C21 | C17 | H212 | 119.5° | 118.4° |
| C20 | C21 | C17 | H211 | 119.5° | 118.4° |
| C20 | C21 | C17 | H171 | 138.7° | 120.3° |
| C21 | C20 | H202 | H201 | 121.8° | 123.0° |
| C20 | C21 | H212 | H211 | 121.4° | 123.2° |
| C19 | C20 | C21 | C17 | 9.4° | 16.5° |
| C19 | C20 | H202 | H201 | 121.8° | 122.8° |
| C19 | C20 | C21 | H212 | 110.1° | 101.9° |
| C19 | C20 | C21 | H211 | 128.9° | 134.9° |
| O22 | C19 | C20 | H202 | 51.7° | 92.1° |
| O22 | C19 | C20 | H201 | 69.5° | 30.7° |
| C17 | C16 | N15 | C14 | 179.5° | 175.0° |
| C16 | C17 | C21 | H171 | 121.1° | 121.5° |
| C16 | C17 | C21 | H212 | 140.2° | 0.3° |
| C16 | C17 | C21 | H211 | 19.3° | 123.4° |
| C17 | C16 | N15 | H151 | 0.5° | 5.1° |
| O23 | C16 | N15 | C14 | 0.2° | 5.0° |
| O23 | C16 | C17 | C21 | 62.0° | 115.0° |
| O23 | C16 | C17 | H171 | 60.4° | 123.5° |
| O23 | C16 | N15 | H151 | 179.8° | 174.9° |
| N15 | C14 | C24 | C25 | 0.5° | 0.0° |
| N15 | C14 | C24 | N26 | 179.6° | 179.8° |
| C14 | C24 | C25 | N26 | 179.8° | 179.7° |
| C14 | C24 | N26 | C11 | 0.3° | 0.0° |
| C14 | C24 | C25 | H253 | 90.1° | 85.0° |
| C14 | C24 | C25 | H252 | 149.9° | 155.0° |
| C14 | C24 | C25 | H251 | 29.9° | 35.0° |
| C24 | C14 | N15 | H151 | 52.2° | 42.8° |
| C14 | C24 | N26 | H261 | 179.7° | 179.8° |
| C25 | C24 | N26 | C11 | 179.8° | 179.7° |
| C24 | C25 | H253 | H252 | 120.0° | 120.0° |
| C24 | C25 | H253 | H251 | 120.0° | 120.0° |
| C24 | C25 | H252 | H251 | 120.0° | 120.0° |
| C25 | C24 | N26 | H261 | 0.2° | 0.0° |
| C24 | N26 | C11 | H261 | 180.0° | 179.7° |
| N26 | C24 | C25 | H253 | 90.1° | 94.8° |
| N26 | C24 | C25 | H252 | 29.9° | 25.3° |
| N26 | C24 | C25 | H251 | 149.9° | 145.3° |
| C09 | C08 | N07 | C06 | 0.1° | 0.4° |
| C08 | C09 | C28 | C06 | 0.0° | 0.0° |
| C08 | C09 | C28 | C29 | 179.9° | 179.7° |
| C08 | C09 | C10 | H101 | 178.8° | 172.0° |
| C09 | C08 | N07 | H071 | 179.9° | 179.9° |
| O27 | C08 | N07 | C06 | 180.0° | 180.0° |
| O27 | C08 | C09 | C28 | 180.0° | 179.8° |
| O27 | C08 | N07 | H071 | 0.0° | 0.5° |
| N07 | C06 | C28 | C29 | 180.0° | 180.0° |
| N07 | C06 | C28 | C09 | 0.0° | 0.3° |
| N07 | C06 | C05 | H051 | 0.1° | 0.0° |
| C06 | C28 | C29 | C09 | 180.0° | 179.7° |
| C06 | C28 | C29 | C03 | 0.2° | 0.0° |
| C06 | C28 | C29 | H291 | 179.8° | 180.0° |
| C28 | C06 | C05 | H051 | 179.9° | 180.0° |
| C28 | C06 | N07 | H071 | 180.0° | 179.9° |
| C28 | C29 | C03 | C02 | 179.6° | 180.0° |
| C28 | C29 | C03 | H291 | 180.0° | 180.0° |
| C03 | C02 | N30 | C31 | 179.4° | 180.0° |
| C02 | C03 | C29 | H291 | 0.4° | 0.0° |
| C02 | C03 | C04 | H041 | 0.4° | 0.1° |
| C03 | C02 | N30 | H301 | 0.6° | 0.0° |
| C02 | N30 | C31 | H301 | 180.0° | 180.0° |
| C02 | N30 | C31 | C32 | 106.4° | 85.0° |
| C02 | N30 | C31 | C33 | 133.1° | 155.0° |
| N30 | C02 | C03 | C29 | 32.4° | 180.0° |
| C02 | N30 | C31 | H311 | 14.9° | 35.0° |
| N30 | C31 | C32 | C33 | 116.3° | 120.0° |
| N30 | C31 | C32 | H311 | 121.9° | 120.0° |
| N30 | C31 | C33 | H311 | 119.0° | 120.0° |
| N30 | C31 | C33 | C34 | 90.1° | 40.3° |
| N30 | C31 | C33 | C39 | 88.3° | 140.0° |
| N30 | C31 | C32 | H323 | 180.0° | 60.0° |
| N30 | C31 | C32 | H322 | 60.0° | 180.0° |
| N30 | C31 | C32 | H321 | 60.0° | 60.0° |
| C32 | C31 | C33 | H311 | 121.9° | 119.9° |
| C32 | C31 | C33 | C34 | 29.1° | 79.7° |
| C32 | C31 | C33 | C39 | 152.6° | 100.0° |
| C31 | C32 | H323 | H322 | 120.0° | 120.0° |
| C31 | C32 | H323 | H321 | 120.0° | 119.9° |
| C31 | C32 | H322 | H321 | 120.0° | 120.0° |
| C32 | C31 | N30 | H301 | 73.6° | 95.0° |
| C31 | C33 | C34 | C39 | 178.3° | 179.7° |
| C31 | C33 | C34 | C35 | 179.3° | 180.0° |
| C31 | C33 | C39 | C38 | 179.3° | 179.8° |
| C33 | C31 | C32 | H323 | 63.7° | 180.0° |
| C33 | C31 | C32 | H322 | 56.3° | 60.0° |
| C33 | C31 | C32 | H321 | 176.3° | 60.0° |
| C31 | C33 | C34 | H341 | 0.7° | 0.0° |
| C31 | C33 | C39 | H391 | 0.7° | 0.0° |
| C33 | C31 | N30 | H301 | 46.9° | 25.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.6° | 0.0° |
| C34 | C33 | C39 | C38 | 1.0° | 0.5° |
| C34 | C33 | C31 | H311 | 151.0° | 160.3° |
| C33 | C34 | C35 | H351 | 179.4° | 180.0° |
| C34 | C33 | C39 | H391 | 179.0° | 179.7° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | F37 | 180.0° | 180.0° |
| C34 | C35 | C36 | C38 | 0.0° | 0.0° |
| C35 | C34 | C33 | C39 | 1.0° | 0.3° |
| C35 | C36 | F37 | C38 | 180.0° | 179.9° |
| C35 | C36 | C38 | C39 | 0.0° | 0.2° |
| C36 | C35 | C34 | H341 | 179.4° | 179.9° |
| C35 | C36 | C38 | H381 | 180.0° | 180.0° |
| F37 | C36 | C38 | C39 | 180.0° | 179.7° |
| F37 | C36 | C35 | H351 | 0.0° | 0.0° |
| F37 | C36 | C38 | H381 | 0.0° | 0.1° |
| C36 | C38 | C39 | H381 | 180.0° | 179.8° |
| C36 | C38 | C39 | C33 | 0.5° | 0.5° |
| C38 | C36 | C35 | H351 | 180.0° | 180.0° |
| C36 | C38 | C39 | H391 | 179.5° | 179.8° |
| C38 | C39 | C33 | H391 | 180.0° | 179.8° |
| C03 | C29 | C28 | C09 | 179.8° | 179.7° |
| C29 | C03 | C04 | H041 | 179.6° | 180.0° |
| C28 | C09 | C10 | H101 | 0.3° | 7.9° |
| C09 | C28 | C29 | H291 | 0.2° | 0.3° |
| N26 | C11 | C10 | H101 | 135.0° | 154.8° |
| C17 | C21 | C20 | H202 | 110.0° | 102.1° |
| C17 | C21 | C20 | H201 | 128.8° | 135.1° |
| C17 | C21 | H212 | H211 | 121.4° | 123.1° |
| C39 | C33 | C31 | H311 | 30.7° | 20.0° |
| C39 | C33 | C34 | H341 | 179.0° | 179.8° |
| C33 | C39 | C38 | H381 | 179.5° | 179.7° |
| H171 | C17 | C21 | H212 | 19.2° | 121.3° |
| H171 | C17 | C21 | H211 | 101.8° | 1.9° |
| H202 | C20 | C21 | H212 | 130.5° | 139.5° |
| H202 | C20 | C21 | H211 | 9.5° | 16.3° |
| H201 | C20 | C21 | H212 | 9.3° | 16.7° |
| H201 | C20 | C21 | H211 | 111.7° | 106.5° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
| H323 | C32 | C31 | H311 | 58.1° | 60.0° |
| H322 | C32 | C31 | H311 | 178.1° | 60.0° |
| H321 | C32 | C31 | H311 | 61.9° | 180.0° |
| H311 | C31 | N30 | H301 | 165.1° | 145.0° |
| H341 | C34 | C35 | H351 | 0.6° | 0.0° |
| H041 | C04 | C05 | H051 | 0.3° | 0.0° |
| H132 | C13 | H133 | H131 | 120.0° | 120.0° |
| H253 | C25 | H252 | H251 | 120.0° | 120.0° |
| H381 | C38 | C39 | H391 | 0.5° | 0.1° |
