A1JI8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C39 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | N06 | sing | 1.47Å | 1.33Å | |
| N06 | C07 | sing | 1.47Å | 1.33Å | |
| N06 | C38 | sing | 1.47Å | 1.33Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.40Å | |
| C12 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.46Å | |
| N15 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | O37 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | N22 | sing | 1.47Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | N22 | sing | 1.47Å | 1.40Å | |
| N22 | C23 | sing | 1.39Å | 1.44Å | |
| C23 | C36 | doub | 1.39Å | 1.36Å | Aromatic |
| C23 | N24 | sing | 1.33Å | 1.32Å | Aromatic |
| N24 | C25 | doub | 1.32Å | 1.35Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.36Å | Aromatic |
| N26 | C27 | doub | 1.33Å | 1.32Å | Aromatic |
| C27 | N28 | sing | 1.39Å | 1.45Å | |
| C27 | C36 | sing | 1.39Å | 1.35Å | Aromatic |
| N28 | C29 | sing | 1.46Å | 1.44Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | 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 | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C39 | 110.5° | 109.5° |
| C01 | C02 | C03 | 109.4° | 109.5° |
| C01 | C02 | C04 | 109.0° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C39 | C02 | C03 | 109.9° | 109.5° |
| C39 | C02 | C04 | 108.5° | 109.2° |
| C02 | C39 | C38 | 112.1° | 109.3° |
| C02 | C39 | H391 | 108.8° | 109.5° |
| C02 | C39 | H392 | 108.8° | 109.5° |
| C03 | C02 | C04 | 109.5° | 109.6° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.4° | 109.4° |
| C02 | C04 | C05 | 110.4° | 109.3° |
| C02 | C04 | H041 | 109.2° | 109.4° |
| C02 | C04 | H042 | 109.3° | 109.5° |
| C04 | C05 | N06 | 113.1° | 109.5° |
| C05 | C04 | H041 | 109.3° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.5° |
| C04 | C05 | H051 | 108.6° | 109.4° |
| C04 | C05 | H052 | 108.6° | 109.4° |
| C05 | N06 | C07 | 112.4° | 111.0° |
| C05 | N06 | C38 | 111.8° | 111.2° |
| N06 | C05 | H051 | 108.6° | 109.5° |
| N06 | C05 | H052 | 108.6° | 109.5° |
| C07 | N06 | C38 | 109.1° | 111.0° |
| N06 | C07 | C08 | 115.8° | 109.5° |
| N06 | C07 | H071 | 107.8° | 109.4° |
| N06 | C07 | H072 | 107.9° | 109.5° |
| N06 | C38 | C39 | 115.4° | 109.6° |
| N06 | C38 | H381 | 108.0° | 109.4° |
| N06 | C38 | H382 | 108.0° | 109.5° |
| C07 | C08 | C09 | 120.6° | 119.9° |
| C07 | C08 | C11 | 120.3° | 119.9° |
| C08 | C07 | H071 | 107.9° | 109.5° |
| C08 | C07 | H072 | 107.8° | 109.5° |
| C09 | C08 | C11 | 119.1° | 120.2° |
| C08 | C09 | C10 | 120.8° | 120.2° |
| C08 | C09 | H091 | 119.6° | 119.9° |
| C08 | C11 | C12 | 120.2° | 120.0° |
| C08 | C11 | H111 | 119.9° | 120.0° |
| C09 | C10 | C14 | 119.0° | 119.9° |
| C09 | C10 | H101 | 120.5° | 120.0° |
| C10 | C09 | H091 | 119.6° | 119.9° |
| C10 | C14 | C12 | 120.2° | 119.9° |
| C10 | C14 | N15 | 122.6° | 120.0° |
| C14 | C10 | H101 | 120.5° | 120.1° |
| C11 | C12 | O13 | 122.0° | 120.1° |
| C11 | C12 | C14 | 120.6° | 119.8° |
| C12 | C11 | H111 | 119.9° | 119.9° |
| O13 | C12 | C14 | 117.4° | 120.1° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C14 | N15 | 117.2° | 120.1° |
| C14 | N15 | C16 | 122.8° | 120.0° |
| C14 | N15 | H151 | 106.1° | 120.0° |
| N15 | C16 | C17 | 107.4° | 109.4° |
| N15 | C16 | H161 | 110.0° | 109.5° |
| N15 | C16 | H162 | 110.0° | 109.5° |
| C16 | N15 | H151 | 106.0° | 120.1° |
| C16 | C17 | C18 | 108.5° | 109.5° |
| C16 | C17 | C20 | 109.1° | 109.6° |
| C16 | C17 | O37 | 110.1° | 109.6° |
| C17 | C16 | H161 | 110.0° | 109.5° |
| C17 | C16 | H162 | 110.0° | 109.5° |
| C18 | C17 | C20 | 110.1° | 109.1° |
| C18 | C17 | O37 | 108.8° | 109.5° |
| C17 | C18 | C19 | 110.8° | 109.3° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C17 | C18 | H182 | 109.1° | 109.5° |
| C20 | C17 | O37 | 110.2° | 109.5° |
| C17 | C20 | C21 | 111.2° | 109.3° |
| C17 | C20 | H201 | 109.0° | 109.5° |
| C17 | C20 | H202 | 109.0° | 109.5° |
| C17 | O37 | H371 | 109.5° | 114.0° |
| C18 | C19 | N22 | 110.1° | 109.5° |
| C19 | C18 | H181 | 109.1° | 109.5° |
| C19 | C18 | H182 | 109.1° | 109.5° |
| C18 | C19 | H191 | 109.3° | 109.4° |
| C18 | C19 | H192 | 109.3° | 109.4° |
| C19 | N22 | C21 | 121.1° | 111.2° |
| C19 | N22 | C23 | 118.5° | 111.0° |
| N22 | C19 | H191 | 109.3° | 109.5° |
| N22 | C19 | H192 | 109.3° | 109.4° |
| C20 | C21 | N22 | 111.4° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| C21 | C20 | H202 | 109.0° | 109.5° |
| C20 | C21 | H211 | 109.0° | 109.5° |
| C20 | C21 | H212 | 109.0° | 109.5° |
| C21 | N22 | C23 | 120.4° | 111.0° |
| N22 | C21 | H211 | 109.0° | 109.4° |
| N22 | C21 | H212 | 109.0° | 109.5° |
| N22 | C23 | C36 | 119.8° | 120.5° |
| N22 | C23 | N24 | 119.7° | 120.5° |
| C36 | C23 | N24 | 120.5° | 119.0° |
| C23 | C36 | C27 | 119.6° | 118.3° |
| C23 | C36 | H361 | 120.2° | 120.8° |
| C23 | N24 | C25 | 119.9° | 120.9° |
| N24 | C25 | N26 | 119.6° | 121.9° |
| N24 | C25 | H251 | 120.2° | 119.0° |
| C25 | N26 | C27 | 120.4° | 120.9° |
| N26 | C25 | H251 | 120.2° | 119.1° |
| N26 | C27 | N28 | 119.5° | 120.5° |
| N26 | C27 | C36 | 120.1° | 119.0° |
| N28 | C27 | C36 | 120.5° | 120.5° |
| C27 | N28 | C29 | 117.7° | 120.0° |
| C27 | N28 | H281 | 107.4° | 120.0° |
| C27 | C36 | H361 | 120.2° | 120.8° |
| N28 | C29 | C30 | 109.6° | 109.5° |
| N28 | C29 | H291 | 109.5° | 109.4° |
| N28 | C29 | H292 | 109.4° | 109.5° |
| C29 | N28 | H281 | 107.4° | 120.0° |
| C29 | C30 | C35 | 119.3° | 120.0° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C30 | C29 | H291 | 109.4° | 109.5° |
| C30 | C29 | H292 | 109.4° | 109.5° |
| C35 | C30 | C31 | 120.8° | 120.0° |
| C30 | C35 | C34 | 118.6° | 119.9° |
| C30 | C35 | H351 | 120.7° | 120.0° |
| C30 | C31 | C32 | 120.6° | 120.0° |
| C30 | C31 | H311 | 119.7° | 120.0° |
| C31 | C32 | C33 | 118.6° | 120.0° |
| C32 | C31 | H311 | 119.7° | 120.0° |
| C31 | C32 | H321 | 120.7° | 120.0° |
| C32 | C33 | C34 | 121.0° | 120.0° |
| C33 | C32 | H321 | 120.7° | 120.0° |
| C32 | C33 | H331 | 119.5° | 120.0° |
| C33 | C34 | C35 | 120.4° | 120.1° |
| C34 | C33 | H331 | 119.5° | 120.0° |
| C33 | C34 | H341 | 119.8° | 120.0° |
| C35 | C34 | H341 | 119.8° | 120.0° |
| C34 | C35 | H351 | 120.7° | 120.1° |
| C39 | C38 | H381 | 107.9° | 109.4° |
| C39 | C38 | H382 | 108.0° | 109.5° |
| C38 | C39 | H391 | 108.8° | 109.5° |
| C38 | C39 | H392 | 108.8° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.6° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C39 | C03 | 120.8° | 120.1° |
| C01 | C02 | C39 | C04 | 119.5° | 119.9° |
| C01 | C02 | C03 | C04 | 119.5° | 120.2° |
| C01 | C02 | C04 | C05 | 73.4° | 62.3° |
| C01 | C02 | C39 | C38 | 75.6° | 62.3° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C01 | C02 | C04 | H041 | 166.4° | 177.8° |
| C01 | C02 | C04 | H042 | 46.7° | 57.7° |
| C01 | C02 | C39 | H391 | 44.8° | 57.7° |
| C01 | C02 | C39 | H392 | 164.0° | 177.8° |
| C39 | C02 | C03 | C04 | 119.1° | 119.7° |
| C39 | C02 | C04 | C05 | 46.9° | 57.6° |
| C02 | C39 | C38 | N06 | 50.4° | 59.1° |
| C02 | C39 | C38 | H391 | 120.4° | 119.9° |
| C02 | C39 | C38 | H392 | 120.4° | 119.9° |
| C39 | C02 | C01 | H011 | 180.0° | 60.0° |
| C39 | C02 | C01 | H012 | 60.0° | 179.9° |
| C39 | C02 | C01 | H013 | 60.0° | 60.0° |
| C39 | C02 | C03 | H031 | 58.6° | 179.9° |
| C39 | C02 | C03 | H032 | 61.4° | 59.9° |
| C39 | C02 | C03 | H033 | 178.6° | 60.1° |
| C39 | C02 | C04 | H041 | 73.2° | 62.3° |
| C39 | C02 | C04 | H042 | 167.0° | 177.6° |
| C02 | C39 | C38 | H381 | 171.3° | 60.9° |
| C02 | C39 | C38 | H382 | 70.4° | 179.2° |
| C02 | C39 | H391 | H392 | 118.8° | 120.1° |
| C03 | C02 | C04 | C05 | 166.9° | 177.6° |
| C03 | C02 | C39 | C38 | 163.6° | 177.6° |
| C03 | C02 | C01 | H011 | 58.9° | 179.9° |
| C03 | C02 | C01 | H012 | 61.1° | 59.9° |
| C03 | C02 | C01 | H013 | 178.9° | 60.2° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 46.7° | 57.6° |
| C03 | C02 | C04 | H042 | 73.0° | 62.5° |
| C03 | C02 | C39 | H391 | 76.1° | 62.4° |
| C03 | C02 | C39 | H392 | 43.2° | 57.7° |
| C02 | C04 | C05 | H041 | 120.1° | 119.9° |
| C02 | C04 | C05 | H042 | 120.1° | 120.0° |
| C02 | C04 | C05 | N06 | 57.5° | 59.2° |
| C04 | C02 | C39 | C38 | 43.8° | 57.6° |
| C04 | C02 | C01 | H011 | 60.9° | 59.7° |
| C04 | C02 | C01 | H012 | 179.1° | 60.3° |
| C04 | C02 | C01 | H013 | 59.1° | 179.6° |
| C04 | C02 | C03 | H031 | 60.5° | 60.2° |
| C04 | C02 | C03 | H032 | 179.5° | 59.8° |
| C04 | C02 | C03 | H033 | 59.5° | 179.9° |
| C02 | C04 | H041 | H042 | 119.6° | 120.1° |
| C02 | C04 | C05 | H051 | 178.0° | 179.2° |
| C02 | C04 | C05 | H052 | 63.1° | 60.9° |
| C04 | C02 | C39 | H391 | 164.2° | 177.6° |
| C04 | C02 | C39 | H392 | 76.6° | 62.3° |
| C04 | C05 | N06 | H051 | 120.5° | 120.0° |
| C04 | C05 | N06 | H052 | 120.5° | 120.0° |
| C04 | C05 | N06 | C07 | 174.9° | 174.1° |
| C04 | C05 | N06 | C38 | 62.0° | 61.7° |
| C05 | C04 | H041 | H042 | 119.6° | 120.1° |
| C04 | C05 | H051 | H052 | 118.4° | 119.9° |
| C05 | N06 | C07 | C38 | 124.6° | 124.3° |
| C05 | N06 | C07 | C08 | 61.4° | 170.0° |
| C05 | N06 | C38 | C39 | 58.7° | 61.7° |
| N06 | C05 | C04 | H041 | 62.7° | 60.7° |
| N06 | C05 | C04 | H042 | 177.6° | 179.1° |
| N06 | C05 | H051 | H052 | 118.4° | 120.0° |
| C05 | N06 | C07 | H071 | 59.5° | 70.0° |
| C05 | N06 | C07 | H072 | 177.7° | 50.0° |
| C05 | N06 | C38 | H381 | 179.6° | 58.3° |
| C05 | N06 | C38 | H382 | 62.1° | 178.2° |
| N06 | C07 | C08 | H071 | 120.9° | 120.0° |
| N06 | C07 | C08 | H072 | 120.9° | 120.1° |
| N06 | C07 | C08 | C09 | 80.5° | 90.0° |
| N06 | C07 | C08 | C11 | 100.5° | 90.0° |
| C07 | N06 | C38 | C39 | 176.3° | 174.1° |
| C07 | N06 | C05 | H051 | 54.4° | 54.1° |
| C07 | N06 | C05 | H052 | 64.6° | 65.9° |
| N06 | C07 | H071 | H072 | 117.1° | 120.0° |
| C07 | N06 | C38 | H381 | 55.4° | 65.9° |
| C07 | N06 | C38 | H382 | 62.9° | 54.1° |
| C38 | N06 | C07 | C08 | 174.0° | 65.7° |
| N06 | C38 | C39 | H381 | 120.9° | 120.0° |
| N06 | C38 | C39 | H382 | 120.9° | 120.0° |
| C38 | N06 | C05 | H051 | 177.5° | 178.3° |
| C38 | N06 | C05 | H052 | 58.5° | 58.3° |
| C38 | N06 | C07 | H071 | 65.1° | 54.2° |
| C38 | N06 | C07 | H072 | 53.1° | 174.2° |
| N06 | C38 | H381 | H382 | 117.3° | 120.0° |
| N06 | C38 | C39 | H391 | 170.8° | 179.1° |
| N06 | C38 | C39 | H392 | 69.9° | 60.8° |
| C07 | C08 | C09 | C11 | 178.9° | 180.0° |
| C07 | C08 | C09 | C10 | 179.9° | 180.0° |
| C07 | C08 | C11 | C12 | 179.9° | 179.7° |
| C08 | C07 | H071 | H072 | 117.1° | 120.0° |
| C07 | C08 | C09 | H091 | 0.1° | 0.0° |
| C07 | C08 | C11 | H111 | 0.1° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C14 | 0.4° | 0.0° |
| C09 | C08 | C11 | C12 | 1.1° | 0.2° |
| C08 | C09 | C10 | H101 | 179.6° | 179.8° |
| C09 | C08 | C07 | H071 | 158.6° | 150.0° |
| C09 | C08 | C07 | H072 | 40.4° | 30.0° |
| C09 | C08 | C11 | H111 | 178.9° | 179.9° |
| C11 | C08 | C09 | C10 | 1.0° | 0.0° |
| C08 | C11 | C12 | H111 | 180.0° | 179.7° |
| C08 | C11 | C12 | O13 | 179.6° | 180.0° |
| C08 | C11 | C12 | C14 | 0.8° | 0.5° |
| C11 | C08 | C07 | H071 | 20.4° | 30.0° |
| C11 | C08 | C07 | H072 | 138.5° | 149.9° |
| C11 | C08 | C09 | H091 | 179.0° | 180.0° |
| C09 | C10 | C14 | H101 | 180.0° | 179.7° |
| C09 | C10 | C14 | C12 | 0.1° | 0.3° |
| C09 | C10 | C14 | N15 | 179.8° | 179.7° |
| C10 | C14 | C12 | C11 | 0.3° | 0.5° |
| C10 | C14 | C12 | O13 | 179.9° | 180.0° |
| C10 | C14 | C12 | N15 | 179.9° | 180.0° |
| C10 | C14 | N15 | C16 | 11.7° | 0.0° |
| C14 | C10 | C09 | H091 | 179.6° | 180.0° |
| C10 | C14 | N15 | H151 | 110.1° | 180.0° |
| C11 | C12 | O13 | C14 | 179.6° | 179.5° |
| C11 | C12 | C14 | N15 | 179.6° | 179.5° |
| C11 | C12 | O13 | H131 | 180.0° | 90.0° |
| O13 | C12 | C14 | N15 | 0.0° | 0.0° |
| O13 | C12 | C11 | H111 | 0.4° | 0.3° |
| C12 | C14 | N15 | C16 | 168.1° | 180.0° |
| C12 | C14 | C10 | H101 | 179.9° | 180.0° |
| C14 | C12 | C11 | H111 | 179.2° | 179.8° |
| C12 | C14 | N15 | H151 | 70.0° | 0.0° |
| C14 | C12 | O13 | H131 | 0.4° | 89.5° |
| C14 | N15 | C16 | H151 | 121.9° | 180.0° |
| C14 | N15 | C16 | C17 | 145.5° | 180.0° |
| N15 | C14 | C10 | H101 | 0.2° | 0.0° |
| C14 | N15 | C16 | H161 | 94.8° | 60.1° |
| C14 | N15 | C16 | H162 | 25.9° | 60.0° |
| N15 | C16 | C17 | H161 | 119.7° | 120.0° |
| N15 | C16 | C17 | H162 | 119.7° | 120.0° |
| N15 | C16 | C17 | C18 | 59.7° | 180.0° |
| N15 | C16 | C17 | C20 | 60.3° | 60.3° |
| N15 | C16 | C17 | O37 | 178.7° | 59.8° |
| N15 | C16 | H161 | H162 | 120.9° | 120.0° |
| C16 | C17 | C18 | C20 | 119.3° | 119.9° |
| C16 | C17 | C18 | O37 | 119.8° | 120.2° |
| C16 | C17 | C20 | O37 | 121.0° | 120.2° |
| C16 | C17 | C18 | C19 | 172.3° | 177.6° |
| C16 | C17 | C20 | C21 | 173.6° | 177.6° |
| C16 | C17 | C20 | H201 | 66.2° | 62.5° |
| C16 | C17 | C20 | H202 | 53.3° | 57.6° |
| C17 | C16 | H161 | H162 | 121.0° | 120.0° |
| C16 | C17 | C18 | H181 | 52.1° | 57.6° |
| C16 | C17 | C18 | H182 | 67.5° | 62.5° |
| C17 | C16 | N15 | H151 | 23.7° | 0.0° |
| C16 | C17 | O37 | H371 | 180.0° | 59.8° |
| C18 | C17 | C20 | O37 | 120.0° | 119.9° |
| C17 | C18 | C19 | H181 | 120.2° | 119.9° |
| C17 | C18 | C19 | H182 | 120.2° | 119.9° |
| C17 | C18 | C19 | N22 | 48.3° | 59.2° |
| C18 | C17 | C20 | C21 | 54.5° | 57.7° |
| C18 | C17 | C20 | H201 | 174.8° | 177.6° |
| C18 | C17 | C20 | H202 | 65.7° | 62.3° |
| C18 | C17 | C16 | H161 | 60.0° | 60.0° |
| C18 | C17 | C16 | H162 | 179.3° | 60.0° |
| C17 | C18 | H181 | H182 | 119.4° | 120.1° |
| C17 | C18 | C19 | H191 | 168.4° | 179.2° |
| C17 | C18 | C19 | H192 | 71.8° | 60.8° |
| C18 | C17 | O37 | H371 | 61.2° | 180.0° |
| C20 | C17 | C18 | C19 | 52.9° | 57.6° |
| C17 | C20 | C21 | H201 | 120.3° | 119.9° |
| C17 | C20 | C21 | H202 | 120.3° | 119.9° |
| C17 | C20 | C21 | N22 | 52.0° | 59.2° |
| C17 | C20 | H201 | H202 | 119.2° | 120.0° |
| C17 | C20 | C21 | H211 | 68.3° | 60.8° |
| C17 | C20 | C21 | H212 | 172.3° | 179.2° |
| C20 | C17 | C16 | H161 | 180.0° | 179.7° |
| C20 | C17 | C16 | H162 | 59.3° | 59.6° |
| C20 | C17 | C18 | H181 | 67.2° | 62.3° |
| C20 | C17 | C18 | H182 | 173.2° | 177.5° |
| C20 | C17 | O37 | H371 | 59.7° | 60.4° |
| O37 | C17 | C18 | C19 | 67.9° | 62.2° |
| O37 | C17 | C20 | C21 | 65.5° | 62.2° |
| O37 | C17 | C20 | H201 | 54.8° | 57.7° |
| O37 | C17 | C20 | H202 | 174.3° | 177.8° |
| O37 | C17 | C16 | H161 | 59.0° | 60.1° |
| O37 | C17 | C16 | H162 | 61.7° | 179.8° |
| O37 | C17 | C18 | H181 | 171.9° | 177.8° |
| O37 | C17 | C18 | H182 | 52.3° | 57.7° |
| C18 | C19 | N22 | H191 | 120.1° | 120.0° |
| C18 | C19 | N22 | H192 | 120.1° | 120.0° |
| C18 | C19 | N22 | C21 | 50.4° | 61.7° |
| C18 | C19 | N22 | C23 | 131.3° | 174.1° |
| C19 | C18 | H181 | H182 | 119.4° | 120.1° |
| C18 | C19 | H191 | H192 | 119.7° | 119.9° |
| C19 | N22 | C21 | C20 | 52.4° | 61.7° |
| C19 | N22 | C21 | C23 | 178.3° | 124.1° |
| C19 | N22 | C23 | C36 | 167.9° | 55.8° |
| C19 | N22 | C23 | N24 | 11.1° | 124.5° |
| C19 | N22 | C21 | H211 | 67.9° | 58.3° |
| C19 | N22 | C21 | H212 | 172.7° | 178.2° |
| N22 | C19 | C18 | H181 | 71.9° | 60.8° |
| N22 | C19 | C18 | H182 | 168.5° | 179.1° |
| N22 | C19 | H191 | H192 | 119.7° | 120.0° |
| C20 | C21 | N22 | H211 | 120.3° | 120.0° |
| C20 | C21 | N22 | H212 | 120.3° | 120.0° |
| C20 | C21 | N22 | C23 | 129.3° | 174.1° |
| C21 | C20 | H201 | H202 | 119.2° | 120.2° |
| C20 | C21 | H211 | H212 | 119.1° | 120.0° |
| C21 | N22 | C23 | C36 | 10.4° | 180.0° |
| C21 | N22 | C23 | N24 | 170.5° | 0.2° |
| N22 | C21 | C20 | H201 | 172.2° | 179.1° |
| N22 | C21 | C20 | H202 | 68.3° | 60.8° |
| N22 | C21 | H211 | H212 | 119.1° | 119.9° |
| C21 | N22 | C19 | H191 | 170.5° | 178.3° |
| C21 | N22 | C19 | H192 | 69.7° | 58.2° |
| N22 | C23 | C36 | N24 | 179.0° | 179.7° |
| N22 | C23 | N24 | C25 | 179.7° | 179.7° |
| N22 | C23 | C36 | C27 | 179.4° | 179.8° |
| C23 | N22 | C21 | H211 | 110.4° | 65.8° |
| C23 | N22 | C21 | H212 | 9.0° | 54.1° |
| C23 | N22 | C19 | H191 | 11.2° | 54.1° |
| C23 | N22 | C19 | H192 | 108.6° | 65.9° |
| N22 | C23 | C36 | H361 | 0.6° | 0.2° |
| C36 | C23 | N24 | C25 | 0.7° | 0.0° |
| C23 | C36 | C27 | N26 | 0.2° | 0.0° |
| C23 | C36 | C27 | N28 | 180.0° | 180.0° |
| C23 | C36 | C27 | H361 | 180.0° | 180.0° |
| C23 | N24 | C25 | N26 | 0.5° | 0.0° |
| N24 | C23 | C36 | C27 | 0.4° | 0.0° |
| C23 | N24 | C25 | H251 | 179.5° | 180.0° |
| N24 | C23 | C36 | H361 | 179.6° | 180.0° |
| N24 | C25 | N26 | H251 | 180.0° | 179.9° |
| N24 | C25 | N26 | C27 | 0.1° | 0.0° |
| C25 | N26 | C27 | N28 | 179.7° | 180.0° |
| C25 | N26 | C27 | C36 | 0.4° | 0.0° |
| N26 | C27 | N28 | C36 | 179.8° | 180.0° |
| N26 | C27 | N28 | C29 | 6.7° | 180.0° |
| C27 | N26 | C25 | H251 | 179.9° | 180.0° |
| N26 | C27 | C36 | H361 | 179.8° | 180.0° |
| N26 | C27 | N28 | H281 | 127.9° | 0.0° |
| C27 | N28 | C29 | H281 | 121.2° | 180.0° |
| C27 | N28 | C29 | C30 | 119.5° | 180.0° |
| C27 | N28 | C29 | H291 | 120.4° | 60.0° |
| C27 | N28 | C29 | H292 | 0.5° | 60.0° |
| N28 | C27 | C36 | H361 | 0.0° | 0.0° |
| C36 | C27 | N28 | C29 | 173.5° | 0.0° |
| C36 | C27 | N28 | H281 | 52.3° | 180.0° |
| N28 | C29 | C30 | H291 | 120.0° | 120.0° |
| N28 | C29 | C30 | H292 | 120.0° | 120.0° |
| N28 | C29 | C30 | C35 | 35.6° | 90.0° |
| N28 | C29 | C30 | C31 | 144.7° | 89.7° |
| N28 | C29 | H291 | H292 | 119.9° | 120.0° |
| C29 | C30 | C35 | C31 | 179.7° | 179.8° |
| C29 | C30 | C31 | C32 | 179.7° | 180.0° |
| C29 | C30 | C35 | C34 | 179.7° | 179.8° |
| C30 | C29 | H291 | H292 | 119.9° | 120.0° |
| C29 | C30 | C31 | H311 | 0.4° | 0.1° |
| C29 | C30 | C35 | H351 | 0.3° | 0.0° |
| C30 | C29 | N28 | H281 | 1.7° | 0.1° |
| C35 | C30 | C31 | C32 | 0.0° | 0.2° |
| C30 | C35 | C34 | C33 | 0.1° | 0.5° |
| C30 | C35 | C34 | H351 | 180.0° | 179.8° |
| C35 | C30 | C29 | H291 | 155.7° | 150.0° |
| C35 | C30 | C29 | H292 | 84.4° | 30.0° |
| C35 | C30 | C31 | H311 | 180.0° | 179.7° |
| C30 | C35 | C34 | H341 | 179.9° | 179.7° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C31 | C30 | C35 | C34 | 0.0° | 0.5° |
| C31 | C30 | C29 | H291 | 24.7° | 30.2° |
| C31 | C30 | C29 | H292 | 95.3° | 150.2° |
| C30 | C31 | C32 | H321 | 179.8° | 180.0° |
| C31 | C30 | C35 | H351 | 179.9° | 179.7° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C31 | C32 | C33 | H331 | 179.7° | 179.9° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.3° | 0.2° |
| C33 | C32 | C31 | H311 | 179.8° | 179.9° |
| C32 | C33 | C34 | H341 | 179.7° | 179.9° |
| C33 | C34 | C35 | H341 | 180.0° | 179.8° |
| C34 | C33 | C32 | H321 | 179.6° | 180.0° |
| C33 | C34 | C35 | H351 | 179.9° | 179.7° |
| C35 | C34 | C33 | H331 | 179.7° | 179.9° |
| C39 | C38 | H381 | H382 | 117.3° | 120.0° |
| C38 | C39 | H391 | H392 | 118.8° | 120.1° |
| H101 | C10 | C09 | H091 | 0.5° | 0.2° |
| H201 | C20 | C21 | H211 | 51.9° | 59.1° |
| H201 | C20 | C21 | H212 | 67.5° | 60.9° |
| H202 | C20 | C21 | H211 | 171.4° | 179.3° |
| H202 | C20 | C21 | H212 | 52.0° | 59.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 57.8° | 59.3° |
| H041 | C04 | C05 | H052 | 176.8° | 179.2° |
| H042 | C04 | C05 | H051 | 61.9° | 60.9° |
| H042 | C04 | C05 | H052 | 57.1° | 59.1° |
| H161 | C16 | N15 | H151 | 143.3° | 120.0° |
| H162 | C16 | N15 | H151 | 96.0° | 120.0° |
| H181 | C18 | C19 | H191 | 48.2° | 59.3° |
| H181 | C18 | C19 | H192 | 168.0° | 179.2° |
| H182 | C18 | C19 | H191 | 71.4° | 60.9° |
| H182 | C18 | C19 | H192 | 48.4° | 59.1° |
| H291 | C29 | N28 | H281 | 118.4° | 120.0° |
| H292 | C29 | N28 | H281 | 121.7° | 120.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.0° |
| H321 | C32 | C33 | H331 | 0.3° | 0.1° |
| H331 | C33 | C34 | H341 | 0.3° | 0.1° |
| H341 | C34 | C35 | H351 | 0.1° | 0.1° |
| H381 | C38 | C39 | H391 | 68.3° | 59.1° |
| H381 | C38 | C39 | H392 | 50.9° | 179.2° |
| H382 | C38 | C39 | H391 | 49.9° | 60.9° |
| H382 | C38 | C39 | H392 | 169.2° | 59.3° |
