VQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.52Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.32Å | Aromatic |
| C35 | C30 | sing | 1.40Å | 1.32Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | sing | 1.54Å | 1.55Å | |
| C04 | C05 | sing | 1.56Å | 1.56Å | |
| C30 | C29 | sing | 1.48Å | 1.53Å | |
| C30 | C31 | doub | 1.40Å | 1.52Å | Aromatic |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| C02 | C14 | sing | 1.54Å | 1.46Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C29 | doub | 1.32Å | 1.40Å | |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | sing | 1.38Å | 1.31Å | Aromatic |
| C29 | C05 | sing | 1.51Å | 1.45Å | |
| C15 | C14 | sing | 1.55Å | 1.61Å | |
| C05 | C14 | sing | 1.55Å | 1.52Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C06 | doub | 1.33Å | 1.53Å | |
| C06 | C07 | sing | 1.48Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | doub | 1.40Å | 1.32Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.53Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.52Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | doub | 1.38Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | doub | 1.38Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| O27 | C26 | doub | 1.21Å | 1.26Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | O28 | sing | 1.34Å | 1.26Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O28 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 119.9° | 120.1° |
| C34 | C35 | C30 | 120.1° | 119.9° |
| C35 | C34 | H341 | 120.1° | 119.9° |
| C34 | C35 | H351 | 120.0° | 120.1° |
| C34 | C33 | C32 | 120.0° | 120.3° |
| C34 | C33 | H331 | 120.0° | 119.9° |
| C33 | C34 | H341 | 120.1° | 120.0° |
| C35 | C30 | C29 | 120.1° | 120.2° |
| C35 | C30 | C31 | 120.1° | 119.7° |
| C30 | C35 | H351 | 120.0° | 120.0° |
| C33 | C32 | C31 | 120.0° | 120.2° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | H331 | 120.0° | 119.8° |
| C04 | C03 | C02 | 107.9° | 107.2° |
| C03 | C04 | C05 | 103.6° | 107.6° |
| C04 | C03 | H032 | 109.9° | 109.9° |
| C04 | C03 | H031 | 109.8° | 109.9° |
| C03 | C04 | H041 | 110.9° | 109.9° |
| C03 | C04 | H042 | 110.9° | 109.9° |
| C03 | C02 | O01 | 109.3° | 110.1° |
| C03 | C02 | C14 | 107.9° | 106.1° |
| C03 | C02 | H021 | 108.3° | 110.2° |
| C02 | C03 | H032 | 109.8° | 109.8° |
| C02 | C03 | H031 | 109.9° | 110.0° |
| C04 | C05 | C29 | 108.9° | 111.1° |
| C04 | C05 | C14 | 108.8° | 104.6° |
| C04 | C05 | C06 | 109.0° | 111.6° |
| C05 | C04 | H041 | 110.9° | 109.9° |
| C05 | C04 | H042 | 110.9° | 109.6° |
| C29 | C30 | C31 | 119.8° | 120.1° |
| C30 | C29 | C16 | 118.4° | 124.6° |
| C30 | C29 | C05 | 124.3° | 124.5° |
| C30 | C31 | C32 | 119.9° | 119.8° |
| C30 | C31 | H311 | 120.1° | 120.1° |
| O01 | C02 | C14 | 111.7° | 110.2° |
| O01 | C02 | H021 | 110.1° | 110.1° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C14 | C15 | 107.9° | 108.6° |
| C02 | C14 | C05 | 109.5° | 105.4° |
| C02 | C14 | H141 | 111.6° | 113.4° |
| C14 | C02 | H021 | 109.5° | 110.1° |
| C17 | C16 | C29 | 111.7° | 124.6° |
| C17 | C16 | C15 | 112.5° | 124.6° |
| C16 | C17 | C18 | 109.8° | 109.5° |
| C16 | C17 | H171 | 109.4° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.5° |
| C29 | C16 | C15 | 111.9° | 110.9° |
| C16 | C29 | C05 | 107.5° | 110.9° |
| C16 | C15 | C14 | 96.9° | 104.8° |
| C16 | C15 | H152 | 112.5° | 110.3° |
| C16 | C15 | H151 | 112.5° | 110.5° |
| C17 | C18 | C19 | 109.2° | 109.5° |
| C18 | C17 | H171 | 109.4° | 109.5° |
| C18 | C17 | H172 | 109.4° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C32 | C31 | H311 | 120.0° | 120.1° |
| C31 | C32 | H321 | 120.0° | 119.9° |
| C29 | C05 | C14 | 107.0° | 104.7° |
| C29 | C05 | C06 | 114.1° | 112.1° |
| C15 | C14 | C05 | 107.7° | 101.4° |
| C15 | C14 | H141 | 109.4° | 113.4° |
| C14 | C15 | H152 | 112.5° | 110.4° |
| C14 | C15 | H151 | 112.5° | 110.4° |
| C14 | C05 | C06 | 108.9° | 112.3° |
| C05 | C14 | H141 | 110.6° | 113.7° |
| C05 | C06 | C13 | 115.6° | 120.0° |
| C05 | C06 | C07 | 113.9° | 120.0° |
| C18 | C19 | C20 | 108.9° | 109.5° |
| C19 | C18 | H182 | 109.5° | 109.5° |
| C19 | C18 | H181 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.6° | 109.5° |
| C18 | C19 | H192 | 109.6° | 109.5° |
| C19 | C20 | C21 | 109.5° | 109.5° |
| C20 | C19 | H191 | 109.6° | 109.5° |
| C20 | C19 | H192 | 109.6° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C13 | C06 | C07 | 115.7° | 120.0° |
| C06 | C13 | H132 | 120.0° | 120.0° |
| C06 | C13 | H131 | 120.0° | 120.0° |
| C06 | C07 | C08 | 120.9° | 120.1° |
| C06 | C07 | C12 | 119.6° | 120.1° |
| C20 | C21 | C22 | 109.5° | 109.5° |
| C21 | C20 | H201 | 109.5° | 109.5° |
| C21 | C20 | H202 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C08 | C07 | C12 | 119.5° | 119.7° |
| C07 | C08 | C09 | 120.4° | 119.8° |
| C07 | C08 | H081 | 119.8° | 120.1° |
| C07 | C12 | C11 | 120.1° | 119.9° |
| C07 | C12 | H121 | 119.9° | 120.1° |
| C08 | C09 | C10 | 120.0° | 120.2° |
| C09 | C08 | H081 | 119.8° | 120.1° |
| C08 | C09 | H091 | 120.0° | 119.9° |
| C21 | C22 | C23 | 110.5° | 109.5° |
| C22 | C21 | H212 | 109.5° | 109.5° |
| C22 | C21 | H211 | 109.4° | 109.5° |
| C21 | C22 | H221 | 109.2° | 109.4° |
| C21 | C22 | H222 | 109.2° | 109.5° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C22 | C23 | C24 | 110.8° | 109.5° |
| C23 | C22 | H221 | 109.2° | 109.4° |
| C23 | C22 | H222 | 109.2° | 109.5° |
| C22 | C23 | H232 | 109.1° | 109.4° |
| C22 | C23 | H231 | 109.2° | 109.5° |
| C09 | C10 | C11 | 119.8° | 120.3° |
| C09 | C10 | H101 | 120.1° | 119.9° |
| C10 | C09 | H091 | 120.0° | 119.9° |
| C11 | C10 | H101 | 120.1° | 119.9° |
| C10 | C11 | H111 | 119.9° | 119.9° |
| C23 | C24 | C25 | 110.0° | 109.5° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C24 | C23 | H231 | 109.1° | 109.5° |
| C23 | C24 | H241 | 109.3° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.4° |
| C24 | C25 | C26 | 111.5° | 109.4° |
| C25 | C24 | H241 | 109.4° | 109.5° |
| C25 | C24 | H242 | 109.3° | 109.5° |
| C24 | C25 | H251 | 109.0° | 109.5° |
| C24 | C25 | H252 | 109.0° | 109.5° |
| O27 | C26 | C25 | 120.8° | 120.0° |
| O27 | C26 | O28 | 119.6° | 120.0° |
| C25 | C26 | O28 | 119.7° | 120.0° |
| C26 | C25 | H251 | 109.0° | 109.5° |
| C26 | C25 | H252 | 108.9° | 109.5° |
| C26 | O28 | H5 | 109.5° | 117.0° |
| H132 | C13 | H131 | 120.0° | 120.0° |
| H152 | C15 | H151 | 109.5° | 110.4° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H032 | C03 | H031 | 109.5° | 110.0° |
| H041 | C04 | H042 | 109.4° | 110.0° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H341 | 180.0° | 179.4° |
| C34 | C35 | C30 | H351 | 180.0° | 179.4° |
| C35 | C34 | C33 | C32 | 0.1° | 0.3° |
| C34 | C35 | C30 | C29 | 179.5° | 179.7° |
| C34 | C35 | C30 | C31 | 0.0° | 0.6° |
| C35 | C34 | C33 | H331 | 179.8° | 179.7° |
| C33 | C34 | C35 | C30 | 0.0° | 0.6° |
| C34 | C33 | C32 | H331 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.3° | 0.0° |
| C34 | C33 | C32 | H321 | 179.7° | 180.0° |
| C33 | C34 | C35 | H351 | 179.9° | 179.9° |
| C35 | C30 | C29 | C31 | 179.5° | 179.7° |
| C35 | C30 | C29 | C16 | 47.5° | 114.3° |
| C35 | C30 | C31 | C32 | 0.2° | 0.3° |
| C35 | C30 | C29 | C05 | 94.1° | 65.7° |
| C35 | C30 | C31 | H311 | 179.8° | 179.8° |
| C30 | C35 | C34 | H341 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.3° | 0.0° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | H311 | 179.7° | 180.0° |
| C32 | C33 | C34 | H341 | 179.9° | 179.7° |
| C04 | C03 | C02 | H032 | 119.7° | 119.3° |
| C04 | C03 | C02 | H031 | 119.8° | 119.4° |
| C03 | C04 | C05 | H041 | 119.1° | 119.6° |
| C03 | C04 | C05 | H042 | 119.1° | 119.4° |
| C04 | C03 | C02 | O01 | 106.3° | 137.5° |
| C04 | C03 | C02 | C14 | 15.3° | 18.3° |
| C03 | C04 | C05 | C29 | 106.7° | 94.5° |
| C03 | C04 | C05 | C14 | 9.6° | 18.0° |
| C03 | C04 | C05 | C06 | 128.2° | 139.6° |
| C04 | C03 | C02 | H021 | 133.7° | 100.9° |
| C04 | C03 | H032 | H031 | 120.7° | 121.1° |
| C03 | C04 | H041 | H042 | 122.7° | 121.1° |
| C02 | C03 | C04 | C05 | 14.9° | 0.0° |
| C03 | C02 | O01 | C14 | 119.3° | 116.7° |
| C03 | C02 | O01 | H021 | 118.8° | 121.7° |
| C03 | C02 | C14 | H021 | 117.6° | 119.3° |
| C03 | C02 | C14 | C15 | 107.9° | 137.6° |
| C03 | C02 | C14 | C05 | 9.0° | 29.6° |
| C03 | C02 | C14 | H141 | 131.8° | 95.4° |
| C02 | C03 | H032 | H031 | 120.7° | 121.2° |
| C02 | C03 | C04 | H041 | 104.2° | 119.6° |
| C02 | C03 | C04 | H042 | 133.9° | 119.2° |
| C03 | C02 | O01 | H011 | 180.0° | 63.4° |
| C04 | C05 | C29 | C30 | 45.9° | 50.8° |
| C04 | C05 | C14 | C02 | 0.5° | 29.1° |
| C04 | C05 | C29 | C16 | 99.1° | 129.1° |
| C04 | C05 | C29 | C14 | 117.4° | 112.3° |
| C04 | C05 | C29 | C06 | 122.0° | 125.7° |
| C04 | C05 | C14 | C15 | 117.6° | 142.2° |
| C04 | C05 | C14 | C06 | 118.7° | 121.2° |
| C04 | C05 | C06 | C13 | 52.0° | 6.4° |
| C04 | C05 | C06 | C07 | 170.4° | 173.6° |
| C04 | C05 | C14 | H141 | 122.9° | 95.7° |
| C05 | C04 | C03 | H032 | 104.9° | 119.2° |
| C05 | C04 | C03 | H031 | 134.6° | 119.6° |
| C05 | C04 | H041 | H042 | 122.7° | 120.7° |
| C30 | C29 | C16 | C17 | 53.8° | 0.0° |
| C30 | C29 | C16 | C05 | 147.5° | 180.0° |
| C30 | C29 | C16 | C15 | 179.0° | 180.0° |
| C29 | C30 | C31 | C32 | 179.7° | 180.0° |
| C30 | C29 | C05 | C14 | 163.4° | 163.2° |
| C30 | C29 | C05 | C06 | 76.1° | 74.8° |
| C29 | C30 | C31 | H311 | 0.3° | 0.0° |
| C29 | C30 | C35 | H351 | 0.5° | 0.3° |
| C31 | C30 | C29 | C16 | 133.0° | 65.4° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C29 | C05 | 85.4° | 114.6° |
| C30 | C31 | C32 | H321 | 179.7° | 180.0° |
| C31 | C30 | C35 | H351 | 179.9° | 180.0° |
| O01 | C02 | C14 | H021 | 122.2° | 121.6° |
| O01 | C02 | C14 | C15 | 132.0° | 103.3° |
| O01 | C02 | C14 | C05 | 111.1° | 148.7° |
| O01 | C02 | C14 | H141 | 11.7° | 23.7° |
| O01 | C02 | C03 | H032 | 133.9° | 18.2° |
| O01 | C02 | C03 | H031 | 13.4° | 103.1° |
| C02 | C14 | C15 | C16 | 102.1° | 85.4° |
| C02 | C14 | C05 | C29 | 117.0° | 87.8° |
| C02 | C14 | C15 | C05 | 118.1° | 110.7° |
| C02 | C14 | C15 | H141 | 121.6° | 127.0° |
| C02 | C14 | C05 | H141 | 123.4° | 124.8° |
| C02 | C14 | C05 | C06 | 119.2° | 150.3° |
| C02 | C14 | C15 | H152 | 140.1° | 33.3° |
| C02 | C14 | C15 | H151 | 15.8° | 155.6° |
| C14 | C02 | C03 | H032 | 104.5° | 101.0° |
| C14 | C02 | C03 | H031 | 135.0° | 137.7° |
| C14 | C02 | O01 | H011 | 60.7° | 180.0° |
| C17 | C16 | C29 | C15 | 127.2° | 180.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.0° |
| C16 | C17 | C18 | H172 | 120.1° | 120.0° |
| C17 | C16 | C29 | C05 | 158.7° | 180.0° |
| C17 | C16 | C15 | C14 | 155.5° | 163.1° |
| C16 | C17 | C18 | C19 | 154.0° | 180.0° |
| C17 | C16 | C15 | H152 | 37.6° | 44.3° |
| C17 | C16 | C15 | H151 | 86.6° | 77.9° |
| C16 | C17 | H171 | H172 | 119.8° | 120.0° |
| C16 | C17 | C18 | H182 | 34.0° | 60.0° |
| C16 | C17 | C18 | H181 | 86.1° | 59.9° |
| C29 | C16 | C17 | C18 | 67.3° | 95.0° |
| C29 | C16 | C15 | C14 | 28.8° | 16.9° |
| C16 | C29 | C05 | C14 | 18.3° | 16.8° |
| C16 | C29 | C05 | C06 | 138.8° | 105.2° |
| C29 | C16 | C15 | H152 | 89.1° | 135.7° |
| C29 | C16 | C15 | H151 | 146.7° | 102.0° |
| C29 | C16 | C17 | H171 | 52.7° | 145.0° |
| C29 | C16 | C17 | H172 | 172.6° | 24.9° |
| C15 | C16 | C17 | C18 | 59.5° | 85.0° |
| C15 | C16 | C29 | C05 | 31.5° | 0.0° |
| C16 | C15 | C14 | H152 | 117.9° | 118.8° |
| C16 | C15 | C14 | H151 | 117.9° | 119.0° |
| C16 | C15 | C14 | C05 | 16.0° | 25.3° |
| C16 | C15 | C14 | H141 | 136.3° | 147.6° |
| C16 | C15 | H152 | H151 | 125.9° | 122.3° |
| C15 | C16 | C17 | H171 | 179.6° | 35.0° |
| C15 | C16 | C17 | H172 | 60.6° | 155.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | C19 | H181 | 119.9° | 120.0° |
| C17 | C18 | C19 | C20 | 150.4° | 180.0° |
| C18 | C17 | H171 | H172 | 119.8° | 120.0° |
| C17 | C18 | H182 | H181 | 120.1° | 119.9° |
| C17 | C18 | C19 | H191 | 89.7° | 60.0° |
| C17 | C18 | C19 | H192 | 30.5° | 60.0° |
| C31 | C32 | C33 | H331 | 179.7° | 180.0° |
| C29 | C05 | C14 | C15 | 0.1° | 25.3° |
| C29 | C05 | C14 | C06 | 123.8° | 121.9° |
| C29 | C05 | C06 | C13 | 69.9° | 119.0° |
| C29 | C05 | C06 | C07 | 67.7° | 61.1° |
| C29 | C05 | C14 | H141 | 119.6° | 147.4° |
| C29 | C05 | C04 | H041 | 134.2° | 145.9° |
| C29 | C05 | C04 | H042 | 12.4° | 24.9° |
| C15 | C14 | C05 | H141 | 119.5° | 122.0° |
| C15 | C14 | C05 | C06 | 123.7° | 96.5° |
| C14 | C15 | H152 | H151 | 125.9° | 122.3° |
| C15 | C14 | C02 | H021 | 9.7° | 18.3° |
| C14 | C05 | C06 | C13 | 170.6° | 123.5° |
| C14 | C05 | C06 | C07 | 51.8° | 56.5° |
| C05 | C14 | C15 | H152 | 101.8° | 144.1° |
| C05 | C14 | C15 | H151 | 133.9° | 93.6° |
| C05 | C14 | C02 | H021 | 126.7° | 89.7° |
| C14 | C05 | C04 | H041 | 109.5° | 101.6° |
| C14 | C05 | C04 | H042 | 128.7° | 137.4° |
| C05 | C06 | C13 | C07 | 136.8° | 180.0° |
| C05 | C06 | C07 | C08 | 62.5° | 111.8° |
| C05 | C06 | C07 | C12 | 117.4° | 68.1° |
| C05 | C06 | C13 | H132 | 136.8° | 173.6° |
| C05 | C06 | C13 | H131 | 43.2° | 6.4° |
| C06 | C05 | C14 | H141 | 4.2° | 25.5° |
| C06 | C05 | C04 | H041 | 9.2° | 20.0° |
| C06 | C05 | C04 | H042 | 112.7° | 101.0° |
| C18 | C19 | C20 | H191 | 119.9° | 120.0° |
| C18 | C19 | C20 | H192 | 119.9° | 120.0° |
| C18 | C19 | C20 | C21 | 106.9° | 180.0° |
| C19 | C18 | C17 | H171 | 86.0° | 60.0° |
| C19 | C18 | C17 | H172 | 33.9° | 60.0° |
| C19 | C18 | H182 | H181 | 120.1° | 120.0° |
| C18 | C19 | H191 | H192 | 120.3° | 120.0° |
| C18 | C19 | C20 | H201 | 133.1° | 60.0° |
| C18 | C19 | C20 | H202 | 13.1° | 60.0° |
| C19 | C20 | C21 | H201 | 120.0° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 145.9° | 180.0° |
| C20 | C19 | C18 | H182 | 30.5° | 60.0° |
| C20 | C19 | C18 | H181 | 89.6° | 60.0° |
| C20 | C19 | H191 | H192 | 120.2° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | C21 | H212 | 94.1° | 60.0° |
| C19 | C20 | C21 | H211 | 25.9° | 60.0° |
| C13 | C06 | C07 | C08 | 75.1° | 68.2° |
| C13 | C06 | C07 | C12 | 105.0° | 111.9° |
| C06 | C13 | H132 | H131 | 180.0° | 180.0° |
| C06 | C07 | C08 | C12 | 179.9° | 179.9° |
| C06 | C07 | C08 | C09 | 179.6° | 179.7° |
| C06 | C07 | C12 | C11 | 180.0° | 179.9° |
| C06 | C07 | C12 | H121 | 0.0° | 0.1° |
| C07 | C06 | C13 | H132 | 0.0° | 6.4° |
| C07 | C06 | C13 | H131 | 180.0° | 173.6° |
| C06 | C07 | C08 | H081 | 0.4° | 0.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 120.8° | 180.0° |
| C21 | C20 | C19 | H191 | 13.1° | 60.0° |
| C21 | C20 | C19 | H192 | 133.2° | 60.0° |
| C21 | C20 | H201 | H202 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | H221 | 119.0° | 60.0° |
| C20 | C21 | C22 | H222 | 0.6° | 60.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.6° |
| C08 | C07 | C12 | C11 | 0.0° | 0.0° |
| C07 | C08 | C09 | C10 | 0.4° | 0.6° |
| C08 | C07 | C12 | H121 | 179.9° | 180.0° |
| C07 | C08 | C09 | H091 | 179.5° | 180.0° |
| C12 | C07 | C08 | C09 | 0.3° | 0.3° |
| C07 | C12 | C11 | H121 | 180.0° | 180.0° |
| C07 | C12 | C11 | C10 | 0.3° | 0.0° |
| C07 | C12 | C11 | H111 | 179.7° | 179.9° |
| C12 | C07 | C08 | H081 | 179.7° | 179.9° |
| C08 | C09 | C10 | H091 | 180.0° | 179.4° |
| C08 | C09 | C10 | C11 | 0.1° | 0.5° |
| C08 | C09 | C10 | H101 | 179.9° | 179.7° |
| C21 | C22 | C23 | H221 | 120.2° | 119.9° |
| C21 | C22 | C23 | H222 | 120.2° | 120.0° |
| C21 | C22 | C23 | C24 | 63.0° | 180.0° |
| C22 | C21 | C20 | H201 | 25.9° | 60.0° |
| C22 | C21 | C20 | H202 | 94.1° | 60.0° |
| C22 | C21 | H212 | H211 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.5° | 120.0° |
| C21 | C22 | C23 | H232 | 176.7° | 60.0° |
| C21 | C22 | C23 | H231 | 57.1° | 60.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.2° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 179.7° | 180.0° |
| C22 | C23 | C24 | H232 | 120.2° | 120.0° |
| C22 | C23 | C24 | H231 | 120.2° | 120.1° |
| C22 | C23 | C24 | C25 | 159.6° | 179.9° |
| C23 | C22 | C21 | H212 | 0.8° | 60.0° |
| C23 | C22 | C21 | H211 | 119.2° | 60.0° |
| C23 | C22 | H221 | H222 | 119.5° | 120.0° |
| C22 | C23 | H232 | H231 | 119.4° | 120.0° |
| C22 | C23 | C24 | H241 | 80.3° | 60.0° |
| C22 | C23 | C24 | H242 | 39.6° | 60.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | H111 | 179.8° | 179.8° |
| C10 | C09 | C08 | H081 | 179.6° | 179.8° |
| C10 | C11 | C12 | H121 | 179.6° | 180.0° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| C23 | C24 | C25 | H241 | 120.1° | 120.0° |
| C23 | C24 | C25 | H242 | 120.1° | 119.9° |
| C23 | C24 | C25 | C26 | 156.7° | 180.0° |
| C24 | C23 | C22 | H221 | 57.1° | 60.1° |
| C24 | C23 | C22 | H222 | 176.8° | 60.0° |
| C24 | C23 | H232 | H231 | 119.4° | 120.0° |
| C23 | C24 | H241 | H242 | 119.8° | 119.9° |
| C23 | C24 | C25 | H251 | 83.0° | 60.0° |
| C23 | C24 | C25 | H252 | 36.4° | 60.0° |
| C24 | C25 | C26 | O27 | 46.8° | 0.0° |
| C24 | C25 | C26 | H251 | 120.3° | 120.0° |
| C24 | C25 | C26 | H252 | 120.3° | 120.0° |
| C24 | C25 | C26 | O28 | 133.9° | 180.0° |
| C25 | C24 | C23 | H232 | 39.4° | 60.0° |
| C25 | C24 | C23 | H231 | 80.2° | 60.0° |
| C25 | C24 | H241 | H242 | 119.7° | 120.1° |
| C24 | C25 | H251 | H252 | 119.1° | 120.0° |
| O27 | C26 | C25 | O28 | 179.4° | 180.0° |
| O27 | C26 | C25 | H251 | 73.6° | 120.0° |
| O27 | C26 | C25 | H252 | 167.1° | 120.0° |
| O27 | C26 | O28 | H5 | 0.0° | 0.1° |
| C26 | C25 | C24 | H241 | 36.6° | 60.0° |
| C26 | C25 | C24 | H242 | 83.2° | 60.1° |
| C26 | C25 | H251 | H252 | 119.1° | 120.0° |
| C25 | C26 | O28 | H5 | 179.4° | 179.9° |
| O28 | C26 | C25 | H251 | 105.8° | 60.0° |
| O28 | C26 | C25 | H252 | 13.6° | 60.0° |
| H101 | C10 | C11 | H111 | 0.2° | 0.0° |
| H101 | C10 | C09 | H091 | 0.2° | 0.2° |
| H111 | C11 | C12 | H121 | 0.4° | 0.0° |
| H141 | C14 | C15 | H152 | 18.5° | 93.7° |
| H141 | C14 | C15 | H151 | 105.8° | 28.6° |
| H141 | C14 | C02 | H021 | 110.5° | 145.3° |
| H171 | C17 | C18 | H182 | 154.0° | 180.0° |
| H171 | C17 | C18 | H181 | 34.0° | 60.1° |
| H172 | C17 | C18 | H182 | 86.1° | 60.0° |
| H172 | C17 | C18 | H181 | 153.9° | 179.9° |
| H182 | C18 | C19 | H191 | 150.4° | 180.0° |
| H182 | C18 | C19 | H192 | 89.4° | 60.0° |
| H181 | C18 | C19 | H191 | 30.2° | 60.0° |
| H181 | C18 | C19 | H192 | 150.4° | 180.0° |
| H191 | C19 | C20 | H201 | 107.0° | 180.0° |
| H191 | C19 | C20 | H202 | 133.1° | 60.0° |
| H192 | C19 | C20 | H201 | 13.2° | 60.1° |
| H192 | C19 | C20 | H202 | 106.7° | 180.0° |
| H201 | C20 | C21 | H212 | 145.9° | NaN° |
| H201 | C20 | C21 | H211 | 94.0° | 60.1° |
| H202 | C20 | C21 | H212 | 25.9° | 60.1° |
| H202 | C20 | C21 | H211 | 145.9° | 180.0° |
| H212 | C21 | C22 | H221 | 121.0° | 179.9° |
| H212 | C21 | C22 | H222 | 119.4° | 60.1° |
| H211 | C21 | C22 | H221 | 1.0° | 60.0° |
| H211 | C21 | C22 | H222 | 120.6° | 180.0° |
| H221 | C22 | C23 | H232 | 63.1° | 180.0° |
| H221 | C22 | C23 | H231 | 177.3° | 60.0° |
| H222 | C22 | C23 | H232 | 56.6° | 60.0° |
| H222 | C22 | C23 | H231 | 63.0° | 180.0° |
| H021 | C02 | C03 | H032 | 14.0° | 139.8° |
| H021 | C02 | C03 | H031 | 106.5° | 18.5° |
| H021 | C02 | O01 | H011 | 61.1° | 58.3° |
| H032 | C03 | C04 | H041 | 136.1° | 0.4° |
| H032 | C03 | C04 | H042 | 14.2° | 121.6° |
| H031 | C03 | C04 | H041 | 15.6° | 120.8° |
| H031 | C03 | C04 | H042 | 106.3° | 0.3° |
| H081 | C08 | C09 | H091 | 0.5° | 0.3° |
| H232 | C23 | C24 | H241 | 159.5° | 180.0° |
| H232 | C23 | C24 | H242 | 80.7° | 60.0° |
| H231 | C23 | C24 | H241 | 39.9° | 60.0° |
| H231 | C23 | C24 | H242 | 159.8° | 180.0° |
| H241 | C24 | C25 | H251 | 156.9° | 180.0° |
| H241 | C24 | C25 | H252 | 83.7° | 60.0° |
| H242 | C24 | C25 | H251 | 37.1° | 59.9° |
| H242 | C24 | C25 | H252 | 156.5° | 180.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.0° |
| H321 | C32 | C33 | H331 | 0.3° | 0.0° |
| H331 | C33 | C34 | H341 | 0.2° | 0.4° |
| H341 | C34 | C35 | H351 | 0.1° | 0.6° |
