A1IUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.48Å | |
| C03 | N02 | sing | 1.35Å | 1.41Å | |
| N05 | C04 | sing | 1.46Å | 1.48Å | |
| C06 | N05 | sing | 1.35Å | 1.43Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| C10 | N09 | sing | 1.35Å | 1.40Å | |
| N13 | C12 | sing | 1.47Å | 1.46Å | |
| C14 | N13 | sing | 1.35Å | 1.42Å | |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C21 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.51Å | |
| O23 | C14 | doub | 1.22Å | 1.21Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C24 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| O26 | C10 | doub | 1.21Å | 1.23Å | |
| N09 | C08 | sing | 1.47Å | 1.48Å | |
| C27 | C08 | sing | 1.53Å | 1.58Å | |
| C28 | C27 | sing | 1.51Å | 1.49Å | |
| C29 | C28 | doub | 1.34Å | 1.38Å | Aromatic |
| N30 | C29 | sing | 1.37Å | 1.41Å | Aromatic |
| C31 | N30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C34 | sing | 1.37Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| O37 | C06 | doub | 1.21Å | 1.20Å | |
| C04 | C03 | sing | 1.51Å | 1.56Å | |
| O38 | C03 | doub | 1.21Å | 1.21Å | |
| C11 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C36 | sing | 1.47Å | 1.45Å | Aromatic |
| C31 | C36 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | 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) |
| C01 | N02 | C03 | 123.3° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.4° | 109.5° |
| C01 | N02 | H021 | 118.3° | 120.0° |
| N02 | C03 | C04 | 116.3° | 120.0° |
| N02 | C03 | O38 | 121.3° | 120.0° |
| C03 | N02 | H021 | 118.3° | 120.0° |
| C04 | N05 | C06 | 122.3° | 120.0° |
| N05 | C04 | C03 | 117.1° | 109.5° |
| N05 | C04 | H041 | 107.5° | 109.5° |
| N05 | C04 | H042 | 107.5° | 109.5° |
| C04 | N05 | H051 | 118.8° | 120.0° |
| N05 | C06 | C07 | 116.5° | 120.0° |
| N05 | C06 | O37 | 120.8° | 120.0° |
| C06 | N05 | H051 | 118.9° | 120.0° |
| C07 | C08 | N09 | 108.7° | 109.5° |
| C07 | C08 | C27 | 110.6° | 109.4° |
| C08 | C07 | C06 | 118.0° | 109.4° |
| C08 | C07 | H071 | 107.3° | 109.5° |
| C08 | C07 | H072 | 107.3° | 109.5° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| N09 | C10 | C11 | 124.0° | 120.0° |
| N09 | C10 | O26 | 118.8° | 120.0° |
| C10 | N09 | C08 | 124.9° | 120.0° |
| C10 | N09 | H091 | 117.5° | 120.0° |
| C12 | N13 | C14 | 125.0° | 120.0° |
| N13 | C12 | C11 | 119.0° | 109.4° |
| N13 | C12 | H121 | 107.0° | 109.5° |
| N13 | C12 | H122 | 107.0° | 109.5° |
| C12 | N13 | H131 | 117.5° | 120.0° |
| N13 | C14 | C15 | 120.8° | 120.0° |
| N13 | C14 | O23 | 119.2° | 120.0° |
| C14 | N13 | H131 | 117.5° | 120.0° |
| C15 | C16 | C17 | 121.6° | 119.8° |
| C16 | C15 | C14 | 122.7° | 120.1° |
| C16 | C15 | C22 | 116.1° | 119.7° |
| C15 | C16 | H161 | 119.2° | 120.1° |
| C16 | C17 | C18 | 121.9° | 120.2° |
| C17 | C16 | H161 | 119.2° | 120.1° |
| C16 | C17 | H171 | 119.0° | 119.9° |
| C17 | C18 | C19 | 121.6° | 119.8° |
| C17 | C18 | C21 | 116.4° | 120.3° |
| C18 | C17 | H171 | 119.0° | 120.0° |
| C20 | C19 | C18 | 116.3° | 109.5° |
| C20 | C19 | H192 | 107.8° | 109.5° |
| C20 | C19 | H191 | 107.8° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C18 | C21 | 122.0° | 119.9° |
| C18 | C19 | H192 | 107.7° | 109.5° |
| C18 | C19 | H191 | 107.7° | 109.5° |
| C18 | C21 | C22 | 122.1° | 120.2° |
| C18 | C21 | H211 | 118.9° | 119.9° |
| C21 | C22 | C15 | 121.9° | 119.9° |
| C22 | C21 | H211 | 119.0° | 119.9° |
| C21 | C22 | H221 | 119.1° | 120.1° |
| C15 | C14 | O23 | 119.9° | 120.0° |
| C14 | C15 | C22 | 121.2° | 120.2° |
| C12 | C11 | C24 | 120.5° | 117.5° |
| C12 | C11 | C10 | 119.1° | 115.5° |
| C12 | C11 | C25 | 110.7° | 117.5° |
| C11 | C12 | H121 | 107.0° | 109.4° |
| C11 | C12 | H122 | 107.0° | 109.5° |
| C11 | C24 | C25 | 60.8° | 60.0° |
| C24 | C11 | C10 | 118.0° | 117.5° |
| C24 | C11 | C25 | 58.6° | 60.0° |
| C11 | C24 | H241 | 119.9° | 117.5° |
| C11 | C24 | H242 | 119.9° | 117.5° |
| C24 | C25 | C11 | 60.6° | 60.0° |
| C25 | C24 | H241 | 119.9° | 117.5° |
| C25 | C24 | H242 | 119.9° | 117.5° |
| C24 | C25 | H251 | 119.9° | 117.5° |
| C24 | C25 | H252 | 119.9° | 117.5° |
| C11 | C10 | O26 | 117.2° | 120.0° |
| C10 | C11 | C25 | 112.6° | 117.5° |
| N09 | C08 | C27 | 110.2° | 109.5° |
| N09 | C08 | H081 | 109.9° | 109.5° |
| C08 | N09 | H091 | 117.6° | 120.0° |
| C08 | C27 | C28 | 117.4° | 109.5° |
| C08 | C27 | H271 | 107.4° | 109.5° |
| C08 | C27 | H272 | 107.5° | 109.5° |
| C27 | C08 | H081 | 108.6° | 109.5° |
| C27 | C28 | C29 | 124.9° | 126.5° |
| C27 | C28 | C36 | 128.8° | 126.5° |
| C28 | C27 | H271 | 107.4° | 109.4° |
| C28 | C27 | H272 | 107.4° | 109.5° |
| C28 | C29 | N30 | 110.2° | 109.9° |
| C29 | C28 | C36 | 106.3° | 107.0° |
| C28 | C29 | H291 | 124.9° | 125.0° |
| C29 | N30 | C31 | 108.2° | 109.9° |
| N30 | C29 | H291 | 124.9° | 125.0° |
| C29 | N30 | H301 | 125.9° | 125.1° |
| N30 | C31 | C32 | 128.0° | 133.5° |
| N30 | C31 | C36 | 108.0° | 107.1° |
| C31 | N30 | H301 | 125.9° | 125.0° |
| C31 | C32 | C33 | 117.4° | 119.7° |
| C32 | C31 | C36 | 124.0° | 119.4° |
| C31 | C32 | H321 | 121.3° | 120.1° |
| C32 | C33 | C34 | 120.2° | 120.7° |
| C33 | C32 | H321 | 121.3° | 120.2° |
| C32 | C33 | H331 | 119.9° | 119.6° |
| C33 | C34 | C35 | 121.9° | 120.5° |
| C34 | C33 | H331 | 119.9° | 119.7° |
| C33 | C34 | H341 | 119.0° | 119.7° |
| C34 | C35 | C36 | 120.2° | 119.7° |
| C35 | C34 | H341 | 119.0° | 119.8° |
| C34 | C35 | H351 | 119.9° | 120.1° |
| C35 | C36 | C28 | 136.6° | 134.0° |
| C35 | C36 | C31 | 116.3° | 120.0° |
| C36 | C35 | H351 | 119.9° | 120.2° |
| C07 | C06 | O37 | 122.6° | 120.0° |
| C06 | C07 | H071 | 107.3° | 109.5° |
| C06 | C07 | H072 | 107.3° | 109.4° |
| C04 | C03 | O38 | 122.4° | 120.0° |
| C03 | C04 | H041 | 107.5° | 109.4° |
| C03 | C04 | H042 | 107.5° | 109.5° |
| C11 | C25 | H251 | 119.9° | 117.5° |
| C11 | C25 | H252 | 119.9° | 117.5° |
| C15 | C22 | H221 | 119.0° | 120.0° |
| C28 | C36 | C31 | 107.2° | 106.1° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 115.5° |
| H251 | C25 | H252 | 109.4° | 115.6° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H021 | 180.0° | 180.0° |
| C01 | N02 | C03 | C04 | 179.4° | 180.0° |
| C01 | N02 | C03 | O38 | 0.8° | 0.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.1° |
| N02 | C03 | C04 | N05 | 177.6° | 180.0° |
| N02 | C03 | C04 | O38 | 178.6° | 180.0° |
| C03 | N02 | C01 | H011 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 59.9° |
| C03 | N02 | C01 | H013 | 60.0° | 180.0° |
| N02 | C03 | C04 | H041 | 56.5° | 60.0° |
| N02 | C03 | C04 | H042 | 61.3° | 60.0° |
| C04 | N05 | C06 | H051 | 180.0° | 180.0° |
| C04 | N05 | C06 | C07 | 179.6° | 180.0° |
| C04 | N05 | C06 | O37 | 0.9° | 0.1° |
| N05 | C04 | C03 | H041 | 121.1° | 120.0° |
| N05 | C04 | C03 | H042 | 121.1° | 120.0° |
| N05 | C04 | C03 | O38 | 1.0° | 0.0° |
| N05 | C04 | H041 | H042 | 116.5° | 120.0° |
| N05 | C06 | C07 | C08 | 150.9° | 180.0° |
| N05 | C06 | C07 | O37 | 179.5° | 180.0° |
| C06 | N05 | C04 | C03 | 84.4° | 180.0° |
| C06 | N05 | C04 | H041 | 36.7° | 60.0° |
| C06 | N05 | C04 | H042 | 154.5° | 60.0° |
| N05 | C06 | C07 | H071 | 29.7° | 60.0° |
| N05 | C06 | C07 | H072 | 87.9° | 60.0° |
| C07 | C08 | N09 | C10 | 136.4° | 155.0° |
| C07 | C08 | N09 | C27 | 121.4° | 119.9° |
| C07 | C08 | N09 | H081 | 119.0° | 120.0° |
| C07 | C08 | C27 | H081 | 119.3° | 120.0° |
| C07 | C08 | C27 | C28 | 37.1° | 175.0° |
| C08 | C07 | C06 | H071 | 121.2° | 120.0° |
| C08 | C07 | C06 | H072 | 121.2° | 120.0° |
| C08 | C07 | C06 | O37 | 28.6° | 0.0° |
| C07 | C08 | C27 | H271 | 158.2° | 65.0° |
| C07 | C08 | C27 | H272 | 84.1° | 55.0° |
| C08 | C07 | H071 | H072 | 116.1° | 120.1° |
| C07 | C08 | N09 | H091 | 43.6° | 24.9° |
| N09 | C10 | C11 | C12 | 6.5° | 90.9° |
| N09 | C10 | C11 | C24 | 156.0° | 123.3° |
| N09 | C10 | C11 | O26 | 178.4° | 179.7° |
| C10 | N09 | C08 | H091 | 180.0° | 179.9° |
| C10 | N09 | C08 | C27 | 102.2° | 85.1° |
| N09 | C10 | C11 | C25 | 138.6° | 54.7° |
| C10 | N09 | C08 | H081 | 17.4° | 35.0° |
| C12 | N13 | C14 | H131 | 180.0° | 180.0° |
| C12 | N13 | C14 | C15 | 175.7° | 180.0° |
| C12 | N13 | C14 | O23 | 1.4° | 0.0° |
| N13 | C12 | C11 | H121 | 121.3° | 119.9° |
| N13 | C12 | C11 | H122 | 121.3° | 120.0° |
| N13 | C12 | C11 | C24 | 76.6° | 80.6° |
| N13 | C12 | C11 | C10 | 85.5° | 65.1° |
| N13 | C12 | C11 | C25 | 141.6° | 149.3° |
| N13 | C12 | H121 | H122 | 115.7° | 120.1° |
| N13 | C14 | C15 | C16 | 156.6° | 0.3° |
| N13 | C14 | C15 | O23 | 177.1° | 180.0° |
| C14 | N13 | C12 | C11 | 89.9° | 175.0° |
| N13 | C14 | C15 | C22 | 24.8° | 180.0° |
| C14 | N13 | C12 | H121 | 31.5° | 55.1° |
| C14 | N13 | C12 | H122 | 148.8° | 65.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C16 | C15 | C22 | C21 | 0.1° | 0.5° |
| C16 | C15 | C14 | C22 | 178.6° | 179.7° |
| C16 | C15 | C14 | O23 | 26.3° | 179.7° |
| C15 | C16 | C17 | H171 | 179.7° | 180.0° |
| C16 | C15 | C22 | H221 | 179.9° | 179.7° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.9° | 179.9° |
| C16 | C17 | C18 | C21 | 0.1° | 0.1° |
| C17 | C16 | C15 | C14 | 178.8° | 179.9° |
| C17 | C16 | C15 | C22 | 0.1° | 0.3° |
| C17 | C18 | C19 | C20 | 99.3° | 90.0° |
| C17 | C18 | C19 | C21 | 180.0° | 180.0° |
| C17 | C18 | C21 | C22 | 0.1° | 0.2° |
| C18 | C17 | C16 | H161 | 179.8° | 180.0° |
| C17 | C18 | C19 | H192 | 21.7° | 150.0° |
| C17 | C18 | C19 | H191 | 139.8° | 30.0° |
| C17 | C18 | C21 | H211 | 179.9° | 180.0° |
| C20 | C19 | C18 | H192 | 121.0° | 120.0° |
| C20 | C19 | C18 | H191 | 121.0° | 120.0° |
| C20 | C19 | C18 | C21 | 80.7° | 90.0° |
| C20 | C19 | H192 | H191 | 116.9° | 120.0° |
| C19 | C20 | H203 | H201 | 120.0° | 120.0° |
| C19 | C20 | H203 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C18 | C21 | C22 | 179.8° | 179.8° |
| C19 | C18 | C17 | H171 | 0.1° | 0.0° |
| C18 | C19 | H192 | H191 | 116.9° | 120.0° |
| C18 | C19 | C20 | H203 | 180.0° | 60.0° |
| C18 | C19 | C20 | H201 | 60.0° | 180.0° |
| C18 | C19 | C20 | H202 | 60.0° | 60.0° |
| C19 | C18 | C21 | H211 | 0.2° | 0.0° |
| C18 | C21 | C22 | H211 | 180.0° | 179.8° |
| C18 | C21 | C22 | C15 | 0.3° | 0.5° |
| C21 | C18 | C17 | H171 | 179.9° | 180.0° |
| C21 | C18 | C19 | H192 | 158.3° | 30.0° |
| C21 | C18 | C19 | H191 | 40.3° | 150.0° |
| C18 | C21 | C22 | H221 | 179.7° | 179.7° |
| C21 | C22 | C15 | C14 | 178.6° | 179.8° |
| C21 | C22 | C15 | H221 | 180.0° | 179.8° |
| C14 | C15 | C16 | H161 | 1.2° | 0.1° |
| C14 | C15 | C22 | H221 | 1.4° | 0.0° |
| C15 | C14 | N13 | H131 | 4.3° | 0.0° |
| O23 | C14 | C15 | C22 | 152.3° | 0.0° |
| O23 | C14 | N13 | H131 | 178.6° | 180.0° |
| C12 | C11 | C24 | C10 | 162.3° | 145.0° |
| C12 | C11 | C24 | C25 | 97.0° | 107.5° |
| C12 | C11 | C10 | C25 | 132.1° | 145.6° |
| C12 | C11 | C10 | O26 | 171.9° | 89.4° |
| C11 | C12 | H121 | H122 | 115.7° | 120.0° |
| C12 | C11 | C24 | H241 | 12.6° | 0.0° |
| C12 | C11 | C24 | H242 | 153.3° | 145.0° |
| C12 | C11 | C25 | H251 | 4.2° | 145.0° |
| C12 | C11 | C25 | H252 | 136.5° | 0.1° |
| C11 | C12 | N13 | H131 | 90.1° | 5.0° |
| C11 | C24 | C25 | H241 | 109.7° | 107.5° |
| C11 | C24 | C25 | H242 | 109.7° | 107.5° |
| C24 | C11 | C10 | C25 | 65.3° | 68.7° |
| C24 | C11 | C10 | O26 | 25.6° | 56.3° |
| C24 | C11 | C12 | H121 | 162.0° | 39.3° |
| C24 | C11 | C12 | H122 | 44.7° | 159.3° |
| C11 | C24 | H241 | H242 | 144.3° | 145.7° |
| C11 | C24 | C25 | H251 | 109.6° | 107.5° |
| C11 | C24 | C25 | H252 | 109.7° | 107.5° |
| C25 | C24 | H241 | H242 | 144.3° | 145.7° |
| C24 | C25 | H251 | H252 | 144.4° | 145.6° |
| C11 | C10 | N09 | C08 | 178.8° | 174.7° |
| C10 | C11 | C12 | H121 | 35.9° | 175.0° |
| C10 | C11 | C12 | H122 | 153.2° | 54.9° |
| C10 | C11 | C24 | H241 | 149.6° | 145.0° |
| C10 | C11 | C24 | H242 | 9.0° | 0.0° |
| C10 | C11 | C25 | H251 | 140.4° | 0.1° |
| C10 | C11 | C25 | H252 | 0.4° | 145.0° |
| C11 | C10 | N09 | H091 | 1.2° | 5.4° |
| O26 | C10 | N09 | C08 | 0.4° | 4.9° |
| O26 | C10 | C11 | C25 | 39.8° | 125.0° |
| O26 | C10 | N09 | H091 | 179.6° | 175.0° |
| N09 | C08 | C27 | H081 | 120.4° | 120.0° |
| N09 | C08 | C27 | C28 | 83.2° | 65.0° |
| N09 | C08 | C07 | C06 | 68.1° | 65.0° |
| N09 | C08 | C27 | H271 | 37.9° | 54.9° |
| N09 | C08 | C27 | H272 | 155.7° | 175.0° |
| N09 | C08 | C07 | H071 | 53.1° | 175.0° |
| N09 | C08 | C07 | H072 | 170.7° | 54.9° |
| C08 | C27 | C28 | H271 | 121.1° | 120.0° |
| C08 | C27 | C28 | H272 | 121.2° | 120.0° |
| C08 | C27 | C28 | C29 | 102.9° | 94.6° |
| C27 | C08 | C07 | C06 | 170.8° | 175.0° |
| C08 | C27 | C28 | C36 | 76.4° | 85.0° |
| C08 | C27 | H271 | H272 | 116.4° | 120.1° |
| C27 | C08 | C07 | H071 | 68.0° | 55.0° |
| C27 | C08 | C07 | H072 | 49.5° | 65.0° |
| C27 | C08 | N09 | H091 | 77.8° | 95.0° |
| C27 | C28 | C29 | C36 | 179.4° | 179.7° |
| C27 | C28 | C29 | N30 | 179.2° | 179.9° |
| C27 | C28 | C36 | C35 | 0.2° | 0.1° |
| C27 | C28 | C36 | C31 | 179.5° | 180.0° |
| C28 | C27 | H271 | H272 | 116.4° | 120.0° |
| C27 | C28 | C29 | H291 | 0.7° | 0.1° |
| C28 | C27 | C08 | H081 | 156.4° | 55.0° |
| C28 | C29 | N30 | H291 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 0.5° | 0.2° |
| C29 | C28 | C36 | C35 | 179.6° | 179.7° |
| C29 | C28 | C36 | C31 | 0.1° | 0.3° |
| C29 | C28 | C27 | H271 | 136.0° | 25.4° |
| C29 | C28 | C27 | H272 | 18.3° | 145.3° |
| C28 | C29 | N30 | H301 | 179.5° | 179.8° |
| C29 | N30 | C31 | H301 | 180.0° | 180.0° |
| C29 | N30 | C31 | C32 | 179.9° | 179.9° |
| N30 | C29 | C28 | C36 | 0.2° | 0.3° |
| C29 | N30 | C31 | C36 | 0.5° | 0.0° |
| N30 | C31 | C32 | C36 | 179.3° | 179.9° |
| N30 | C31 | C32 | C33 | 179.2° | 179.9° |
| N30 | C31 | C36 | C35 | 179.4° | 179.8° |
| N30 | C31 | C36 | C28 | 0.4° | 0.2° |
| C31 | N30 | C29 | H291 | 179.6° | 179.9° |
| N30 | C31 | C32 | H321 | 0.8° | 0.1° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C36 | C35 | 0.1° | 0.1° |
| C32 | C31 | C36 | C28 | 179.9° | 179.9° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C32 | C31 | N30 | H301 | 0.1° | 0.1° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.2° |
| C33 | C32 | C31 | C36 | 0.1° | 0.0° |
| C32 | C33 | C34 | H341 | 179.9° | 180.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.8° |
| C33 | C34 | C35 | C36 | 0.0° | 0.3° |
| C34 | C33 | C32 | H321 | 179.9° | 179.9° |
| C33 | C34 | C35 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | H351 | 180.0° | 179.7° |
| C34 | C35 | C36 | C28 | 179.7° | 179.7° |
| C34 | C35 | C36 | C31 | 0.0° | 0.3° |
| C35 | C34 | C33 | H331 | 179.9° | 179.9° |
| C35 | C36 | C28 | C31 | 179.7° | 180.0° |
| C36 | C35 | C34 | H341 | 179.9° | 179.9° |
| C06 | C07 | H071 | H072 | 116.2° | 120.0° |
| C06 | C07 | C08 | H081 | 51.6° | 55.0° |
| C07 | C06 | N05 | H051 | 0.4° | 0.0° |
| O37 | C06 | C07 | H071 | 149.8° | 120.0° |
| O37 | C06 | C07 | H072 | 92.6° | 120.0° |
| O37 | C06 | N05 | H051 | 179.1° | 180.0° |
| C03 | C04 | H041 | H042 | 116.5° | 120.0° |
| C04 | C03 | N02 | H021 | 0.6° | 0.0° |
| C03 | C04 | N05 | H051 | 95.6° | 0.0° |
| O38 | C03 | C04 | H041 | 122.1° | 120.0° |
| O38 | C03 | C04 | H042 | 120.1° | 120.0° |
| O38 | C03 | N02 | H021 | 179.2° | 180.0° |
| C25 | C11 | C12 | H121 | 97.1° | 29.4° |
| C25 | C11 | C12 | H122 | 20.3° | 90.7° |
| C11 | C25 | H251 | H252 | 144.4° | 145.8° |
| C22 | C15 | C16 | H161 | 179.9° | 179.7° |
| C15 | C22 | C21 | H211 | 179.7° | 179.7° |
| C36 | C28 | C27 | H271 | 44.7° | 155.0° |
| C36 | C28 | C27 | H272 | 162.4° | 35.1° |
| C36 | C28 | C29 | H291 | 179.8° | 179.8° |
| C28 | C36 | C35 | H351 | 0.3° | 0.0° |
| C36 | C31 | C32 | H321 | 179.9° | 180.0° |
| C31 | C36 | C35 | H351 | 180.0° | 180.0° |
| C36 | C31 | N30 | H301 | 179.5° | 180.0° |
| H121 | C12 | N13 | H131 | 148.5° | 124.9° |
| H122 | C12 | N13 | H131 | 31.2° | 115.0° |
| H161 | C16 | C17 | H171 | 0.2° | 0.0° |
| H192 | C19 | C20 | H203 | 59.0° | 60.0° |
| H192 | C19 | C20 | H201 | 61.0° | 60.0° |
| H192 | C19 | C20 | H202 | 179.0° | 180.0° |
| H191 | C19 | C20 | H203 | 59.0° | 180.0° |
| H191 | C19 | C20 | H201 | 179.0° | 60.0° |
| H191 | C19 | C20 | H202 | 61.0° | 60.0° |
| H203 | C20 | H201 | H202 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 145.0° |
| H241 | C24 | C25 | H252 | 140.6° | 0.0° |
| H242 | C24 | C25 | H251 | 140.7° | 0.0° |
| H242 | C24 | C25 | H252 | 0.0° | 145.0° |
| H271 | C27 | C08 | H081 | 82.5° | 175.0° |
| H272 | C27 | C08 | H081 | 35.2° | 65.0° |
| H291 | C29 | N30 | H301 | 0.4° | 0.1° |
| H321 | C32 | C33 | H331 | 0.1° | 0.0° |
| H331 | C33 | C34 | H341 | 0.1° | 0.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | N02 | H021 | 0.1° | 120.0° |
| H012 | C01 | N02 | H021 | 120.0° | 120.0° |
| H013 | C01 | N02 | H021 | 120.0° | 0.0° |
| H041 | C04 | N05 | H051 | 143.3° | 120.0° |
| H042 | C04 | N05 | H051 | 25.5° | 120.0° |
| H071 | C07 | C08 | H081 | 172.8° | 65.0° |
| H072 | C07 | C08 | H081 | 69.6° | 174.9° |
| H081 | C08 | N09 | H091 | 162.6° | 144.9° |
| H341 | C34 | C35 | H351 | 0.1° | 0.2° |
