UKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | S | sing | 1.66Å | 1.64Å | |
| N | HN1 | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CX | CE1 | sing | 1.48Å | 1.42Å | |
| CX | NX1 | sing | 1.38Å | 1.24Å | |
| CX | NX2 | doub | 1.30Å | 1.30Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CB | CG1 | sing | 1.51Å | 1.84Å | |
| CB | HCB1 | sing | 1.09Å | 1.12Å | |
| CB | HCB2 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG1 | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.43Å | Aromatic |
| CD1 | HD11 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.39Å | 1.43Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| CZ | HZ1 | sing | 1.08Å | 1.10Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE21 | sing | 1.08Å | 1.10Å | |
| CD2 | HD21 | sing | 1.08Å | 1.10Å | |
| NX1 | HX11 | sing | 0.97Å | 1.02Å | |
| NX1 | HX12 | sing | 0.97Å | 1.02Å | |
| NX2 | HX21 | sing | 0.97Å | 1.02Å | |
| C | N1 | sing | 1.35Å | 1.39Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.83Å | |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.51Å | 1.56Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C18 | sing | 1.51Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.10Å | |
| C11 | C15 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| C17 | H173 | sing | 1.09Å | 1.11Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| S | OS1 | doub | 1.42Å | 1.45Å | |
| S | OS2 | doub | 1.42Å | 1.45Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.47Å | 1.58Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | N2 | sing | 1.47Å | 1.47Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| N2 | C4 | sing | 1.47Å | 1.55Å | |
| N2 | C21 | sing | 1.35Å | 1.37Å | |
| C4 | C5 | sing | 1.53Å | 1.40Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C21 | O1 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| N24 | H241 | sing | 1.01Å | 1.02Å | |
| N24 | H242 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | S | 121.6° | 120.0° |
| CA | N | HN1 | 107.9° | 120.0° |
| N | CA | CB | 108.6° | 109.5° |
| N | CA | C | 110.9° | 109.4° |
| N | CA | HA1 | 109.8° | 109.5° |
| S | N | HN1 | 107.9° | 120.0° |
| N | S | C6 | 99.3° | 107.3° |
| N | S | OS1 | 108.5° | 105.8° |
| N | S | OS2 | 107.4° | 105.7° |
| CB | CA | C | 111.5° | 109.5° |
| CB | CA | HA1 | 109.1° | 109.5° |
| CA | CB | CG1 | 114.5° | 109.5° |
| CA | CB | HCB1 | 110.4° | 109.4° |
| CA | CB | HCB2 | 110.4° | 109.4° |
| C | CA | HA1 | 106.8° | 109.5° |
| CA | C | O | 114.7° | 120.0° |
| CA | C | N1 | 124.0° | 120.0° |
| CE1 | CX | NX1 | 122.2° | 120.0° |
| CE1 | CX | NX2 | 126.4° | 120.0° |
| CX | CE1 | CD1 | 122.6° | 120.1° |
| CX | CE1 | CZ | 121.3° | 120.2° |
| NX1 | CX | NX2 | 111.4° | 120.0° |
| CX | NX1 | HX11 | 122.2° | 120.0° |
| CX | NX1 | HX12 | 107.7° | 119.9° |
| CX | NX2 | HX21 | 113.2° | 120.0° |
| O | C | N1 | 121.4° | 120.0° |
| CG1 | CB | HCB1 | 110.4° | 109.5° |
| CG1 | CB | HCB2 | 110.3° | 109.5° |
| CB | CG1 | CD1 | 126.4° | 119.9° |
| CB | CG1 | CD2 | 114.0° | 120.0° |
| HCB1 | CB | HCB2 | 99.9° | 109.5° |
| CD1 | CG1 | CD2 | 119.6° | 120.1° |
| CG1 | CD1 | CE1 | 121.7° | 119.8° |
| CG1 | CD1 | HD11 | 118.2° | 120.0° |
| CG1 | CD2 | CE2 | 120.9° | 120.3° |
| CG1 | CD2 | HD21 | 120.0° | 119.8° |
| CE1 | CD1 | HD11 | 120.1° | 120.1° |
| CD1 | CE1 | CZ | 116.1° | 119.7° |
| CE1 | CZ | CE2 | 121.9° | 119.9° |
| CE1 | CZ | HZ1 | 120.0° | 120.0° |
| CE2 | CZ | HZ1 | 118.1° | 120.1° |
| CZ | CE2 | CD2 | 119.7° | 120.1° |
| CZ | CE2 | HE21 | 120.8° | 119.9° |
| CD2 | CE2 | HE21 | 119.5° | 120.0° |
| CE2 | CD2 | HD21 | 119.1° | 119.8° |
| HX11 | NX1 | HX12 | 107.6° | 120.0° |
| C | N1 | C1 | 119.1° | 120.6° |
| C | N1 | C5 | 129.5° | 120.6° |
| C7 | C6 | C11 | 119.3° | 120.0° |
| C7 | C6 | S | 118.2° | 120.1° |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C6 | C7 | C12 | 123.1° | 120.0° |
| C11 | C6 | S | 122.5° | 120.0° |
| C6 | C11 | C10 | 118.8° | 120.0° |
| C6 | C11 | C15 | 124.4° | 120.0° |
| C6 | S | OS1 | 110.5° | 105.8° |
| C6 | S | OS2 | 113.9° | 105.7° |
| C8 | C7 | C12 | 117.2° | 120.0° |
| C7 | C8 | C9 | 121.8° | 120.0° |
| C7 | C8 | H81 | 119.3° | 120.0° |
| C7 | C12 | C13 | 116.6° | 109.5° |
| C7 | C12 | C14 | 108.4° | 109.5° |
| C7 | C12 | H121 | 105.1° | 109.5° |
| C9 | C8 | H81 | 118.9° | 120.0° |
| C8 | C9 | C10 | 118.0° | 120.0° |
| C8 | C9 | C18 | 121.0° | 120.0° |
| C10 | C9 | C18 | 121.0° | 120.0° |
| C9 | C10 | C11 | 122.3° | 120.0° |
| C9 | C10 | H101 | 118.6° | 120.0° |
| C9 | C18 | C19 | 110.3° | 109.5° |
| C9 | C18 | C20 | 110.2° | 109.5° |
| C9 | C18 | H181 | 108.8° | 109.5° |
| C11 | C10 | H101 | 119.0° | 120.0° |
| C10 | C11 | C15 | 116.7° | 120.0° |
| C11 | C15 | C16 | 115.6° | 109.5° |
| C11 | C15 | C17 | 108.8° | 109.5° |
| C11 | C15 | H151 | 105.8° | 109.5° |
| C13 | C12 | C14 | 109.1° | 109.5° |
| C13 | C12 | H121 | 104.5° | 109.5° |
| C12 | C13 | H131 | 116.6° | 109.4° |
| C12 | C13 | H132 | 109.6° | 109.5° |
| C12 | C13 | H133 | 109.6° | 109.5° |
| C14 | C12 | H121 | 113.3° | 109.4° |
| C12 | C14 | H141 | 108.3° | 109.5° |
| C12 | C14 | H142 | 112.6° | 109.5° |
| C12 | C14 | H143 | 112.6° | 109.5° |
| H131 | C13 | H132 | 109.7° | 109.5° |
| H131 | C13 | H133 | 109.6° | 109.5° |
| H132 | C13 | H133 | 100.5° | 109.4° |
| H141 | C14 | H142 | 112.6° | 109.4° |
| H141 | C14 | H143 | 112.7° | 109.5° |
| H142 | C14 | H143 | 97.9° | 109.5° |
| C16 | C15 | C17 | 109.6° | 109.5° |
| C16 | C15 | H151 | 104.8° | 109.4° |
| C15 | C16 | H161 | 115.5° | 109.5° |
| C15 | C16 | H162 | 110.0° | 109.4° |
| C15 | C16 | H163 | 110.0° | 109.5° |
| C17 | C15 | H151 | 112.2° | 109.5° |
| C15 | C17 | H171 | 108.8° | 109.5° |
| C15 | C17 | H172 | 112.5° | 109.5° |
| C15 | C17 | H173 | 112.4° | 109.5° |
| H161 | C16 | H162 | 109.9° | 109.5° |
| H161 | C16 | H163 | 110.0° | 109.4° |
| H162 | C16 | H163 | 100.2° | 109.5° |
| H171 | C17 | H172 | 112.5° | 109.5° |
| H171 | C17 | H173 | 112.4° | 109.4° |
| H172 | C17 | H173 | 98.1° | 109.5° |
| C19 | C18 | C20 | 110.6° | 109.5° |
| C19 | C18 | H181 | 108.4° | 109.5° |
| C18 | C19 | H191 | 110.3° | 109.5° |
| C18 | C19 | H192 | 111.9° | 109.4° |
| C18 | C19 | H193 | 111.9° | 109.5° |
| C20 | C18 | H181 | 108.5° | 109.4° |
| C18 | C20 | H201 | 110.2° | 109.4° |
| C18 | C20 | H202 | 111.9° | 109.5° |
| C18 | C20 | H203 | 112.0° | 109.5° |
| H191 | C19 | H192 | 111.9° | 109.5° |
| H191 | C19 | H193 | 111.9° | 109.5° |
| H192 | C19 | H193 | 98.5° | 109.5° |
| H201 | C20 | H202 | 111.9° | 109.5° |
| H201 | C20 | H203 | 112.0° | 109.4° |
| H202 | C20 | H203 | 98.4° | 109.5° |
| OS1 | S | OS2 | 115.8° | 125.4° |
| C1 | N1 | C5 | 109.9° | 118.8° |
| N1 | C1 | C2 | 105.2° | 108.7° |
| N1 | C1 | H11 | 113.8° | 109.6° |
| N1 | C1 | H12 | 113.8° | 109.6° |
| N1 | C5 | C4 | 105.8° | 108.9° |
| N1 | C5 | H51 | 113.6° | 109.7° |
| N1 | C5 | H52 | 113.6° | 109.2° |
| C2 | C1 | H11 | 113.8° | 109.6° |
| C2 | C1 | H12 | 113.8° | 109.6° |
| C1 | C2 | N2 | 107.7° | 108.6° |
| C1 | C2 | H21 | 112.9° | 109.6° |
| C1 | C2 | H22 | 112.9° | 109.6° |
| H11 | C1 | H12 | 96.6° | 109.7° |
| N2 | C2 | H21 | 112.8° | 109.6° |
| N2 | C2 | H22 | 112.9° | 109.6° |
| C2 | N2 | C4 | 106.9° | 118.8° |
| C2 | N2 | C21 | 121.2° | 120.6° |
| H21 | C2 | H22 | 97.6° | 109.8° |
| C4 | N2 | C21 | 126.3° | 120.6° |
| N2 | C4 | C5 | 116.9° | 108.7° |
| N2 | C4 | H41 | 109.5° | 109.6° |
| N2 | C4 | H42 | 109.6° | 109.7° |
| N2 | C21 | O1 | 122.3° | 120.0° |
| N2 | C21 | C22 | 122.8° | 120.0° |
| C5 | C4 | H41 | 109.5° | 109.6° |
| C5 | C4 | H42 | 109.5° | 109.4° |
| C4 | C5 | H51 | 113.6° | 109.6° |
| C4 | C5 | H52 | 113.6° | 109.6° |
| H41 | C4 | H42 | 100.7° | 109.9° |
| H51 | C5 | H52 | 96.8° | 109.8° |
| O1 | C21 | C22 | 114.8° | 120.0° |
| C21 | C22 | C23 | 112.6° | 109.5° |
| C21 | C22 | H221 | 111.0° | 109.4° |
| C21 | C22 | H222 | 111.0° | 109.5° |
| C23 | C22 | H221 | 111.1° | 109.4° |
| C23 | C22 | H222 | 111.1° | 109.5° |
| C22 | C23 | N24 | 111.2° | 109.5° |
| C22 | C23 | H231 | 111.6° | 109.5° |
| C22 | C23 | H232 | 111.5° | 109.5° |
| H221 | C22 | H222 | 99.3° | 109.5° |
| N24 | C23 | H231 | 111.6° | 109.4° |
| N24 | C23 | H232 | 111.6° | 109.5° |
| C23 | N24 | H241 | 111.1° | 106.7° |
| C23 | N24 | H242 | 111.6° | 106.7° |
| H231 | C23 | H232 | 98.7° | 109.4° |
| H241 | N24 | H242 | 111.7° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | S | HN1 | 125.2° | 179.9° |
| N | CA | CB | C | 122.5° | 119.9° |
| N | CA | CB | HA1 | 119.7° | 120.0° |
| N | CA | C | HA1 | 119.7° | 120.0° |
| N | CA | C | O | 34.9° | 6.4° |
| N | CA | CB | CG1 | 69.5° | 66.2° |
| N | CA | CB | HCB1 | 165.3° | 53.8° |
| N | CA | CB | HCB2 | 55.8° | 173.8° |
| N | CA | C | N1 | 144.9° | 173.5° |
| CA | N | S | C6 | 51.1° | 61.1° |
| CA | N | S | OS1 | 166.5° | 51.5° |
| CA | N | S | OS2 | 67.7° | 173.6° |
| S | N | CA | CB | 111.8° | 119.9° |
| S | N | CA | C | 125.3° | 120.2° |
| S | N | CA | HA1 | 7.5° | 0.2° |
| N | S | C6 | C7 | 65.9° | 86.7° |
| N | S | C6 | C11 | 113.7° | 93.4° |
| N | S | C6 | OS1 | 113.8° | 112.6° |
| N | S | C6 | OS2 | 113.9° | 112.5° |
| N | S | OS1 | OS2 | 120.8° | 123.2° |
| HN1 | N | CA | CB | 13.5° | 60.0° |
| HN1 | N | CA | C | 109.4° | 59.9° |
| HN1 | N | CA | HA1 | 132.7° | 179.9° |
| HN1 | N | S | C6 | 176.4° | 119.0° |
| HN1 | N | S | OS1 | 68.3° | 128.4° |
| HN1 | N | S | OS2 | 57.5° | 6.5° |
| CB | CA | C | HA1 | 119.2° | 120.1° |
| CB | CA | C | O | 86.2° | 113.5° |
| CA | CB | CG1 | HCB1 | 125.3° | 120.0° |
| CA | CB | CG1 | HCB2 | 125.3° | 120.0° |
| CA | CB | HCB1 | HCB2 | 116.3° | 120.0° |
| CA | CB | CG1 | CD1 | 94.9° | 90.3° |
| CA | CB | CG1 | CD2 | 84.7° | 90.0° |
| CB | CA | C | N1 | 93.9° | 66.5° |
| CA | C | O | N1 | 179.9° | 180.0° |
| C | CA | CB | CG1 | 53.0° | 173.9° |
| C | CA | CB | HCB1 | 72.2° | 66.1° |
| C | CA | CB | HCB2 | 178.3° | 53.9° |
| CA | C | N1 | C1 | 179.7° | 179.0° |
| CA | C | N1 | C5 | 15.1° | 1.3° |
| HA1 | CA | C | O | 154.6° | 126.4° |
| HA1 | CA | CB | CG1 | 170.8° | 53.8° |
| HA1 | CA | CB | HCB1 | 45.6° | 173.8° |
| HA1 | CA | CB | HCB2 | 63.9° | 66.2° |
| HA1 | CA | C | N1 | 25.3° | 53.5° |
| CE1 | CX | NX1 | NX2 | 179.4° | 180.0° |
| CX | CE1 | CD1 | CG1 | 179.8° | 179.7° |
| CX | CE1 | CD1 | CZ | 179.8° | 179.8° |
| CX | CE1 | CD1 | HD11 | 0.2° | 0.2° |
| CX | CE1 | CZ | CE2 | 179.8° | 180.0° |
| CX | CE1 | CZ | HZ1 | 0.2° | 0.1° |
| CE1 | CX | NX1 | HX11 | 180.0° | 179.9° |
| CE1 | CX | NX1 | HX12 | 54.8° | 0.0° |
| CE1 | CX | NX2 | HX21 | 151.5° | 180.0° |
| NX1 | CX | CE1 | CD1 | 149.9° | 179.8° |
| NX1 | CX | CE1 | CZ | 29.9° | 0.0° |
| CX | NX1 | HX11 | HX12 | 125.2° | 179.9° |
| NX1 | CX | NX2 | HX21 | 29.2° | 0.0° |
| NX2 | CX | CE1 | CD1 | 29.3° | 0.2° |
| NX2 | CX | CE1 | CZ | 150.8° | 180.0° |
| NX2 | CX | NX1 | HX11 | 0.6° | 0.1° |
| NX2 | CX | NX1 | HX12 | 124.6° | 180.0° |
| O | C | N1 | C1 | 0.4° | 1.0° |
| O | C | N1 | C5 | 165.0° | 178.6° |
| CG1 | CB | HCB1 | HCB2 | 116.2° | 120.0° |
| CB | CG1 | CD1 | CD2 | 179.6° | 179.7° |
| CB | CG1 | CD1 | CE1 | 179.5° | 179.7° |
| CB | CG1 | CD1 | HD11 | 0.5° | 0.2° |
| CB | CG1 | CD2 | CE2 | 179.5° | 180.0° |
| CB | CG1 | CD2 | HD21 | 0.6° | 0.0° |
| HCB1 | CB | CG1 | CD1 | 139.9° | 149.7° |
| HCB1 | CB | CG1 | CD2 | 40.6° | 30.0° |
| HCB2 | CB | CG1 | CD1 | 30.4° | 29.7° |
| HCB2 | CB | CG1 | CD2 | 150.0° | 150.0° |
| CG1 | CD1 | CE1 | HD11 | 179.9° | 179.5° |
| CG1 | CD1 | CE1 | CZ | 0.1° | 0.5° |
| CD1 | CG1 | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG1 | CD2 | HD21 | 179.8° | 179.7° |
| CD2 | CG1 | CD1 | CE1 | 0.0° | 0.6° |
| CD2 | CG1 | CD1 | HD11 | 179.9° | 180.0° |
| CG1 | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG1 | CD2 | CE2 | HD21 | 179.9° | 180.0° |
| CG1 | CD2 | CE2 | HE21 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.2° |
| CD1 | CE1 | CZ | HZ1 | 180.0° | 179.7° |
| HD11 | CD1 | CE1 | CZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | HZ1 | 179.9° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | HE21 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | HE21 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD21 | 179.8° | 180.0° |
| HZ1 | CZ | CE2 | CD2 | 179.9° | 180.0° |
| HZ1 | CZ | CE2 | HE21 | 0.1° | 0.1° |
| HE21 | CE2 | CD2 | HD21 | 0.2° | 0.0° |
| C | N1 | C1 | C5 | 167.5° | 179.7° |
| C | N1 | C1 | C2 | 125.9° | 124.7° |
| C | N1 | C1 | H11 | 108.8° | 115.5° |
| C | N1 | C1 | H12 | 0.6° | 5.0° |
| C | N1 | C5 | C4 | 134.7° | 124.8° |
| C | N1 | C5 | H51 | 9.4° | 4.9° |
| C | N1 | C5 | H52 | 100.0° | 115.5° |
| C7 | C6 | C11 | S | 179.6° | 179.9° |
| C6 | C7 | C8 | C12 | 179.9° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.1° |
| C6 | C7 | C8 | H81 | 179.9° | 179.9° |
| C7 | C6 | C11 | C10 | 0.0° | 0.3° |
| C7 | C6 | C11 | C15 | 179.8° | 179.9° |
| C6 | C7 | C12 | C13 | 134.5° | 101.4° |
| C6 | C7 | C12 | C14 | 102.1° | 138.6° |
| C6 | C7 | C12 | H121 | 19.4° | 18.6° |
| C7 | C6 | S | OS1 | 47.9° | 160.6° |
| C7 | C6 | S | OS2 | 179.7° | 25.8° |
| C11 | C6 | C7 | C8 | 0.0° | 0.1° |
| C11 | C6 | C7 | C12 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.0° | 0.5° |
| C6 | C11 | C10 | C15 | 179.9° | 179.8° |
| C6 | C11 | C10 | H101 | 180.0° | 180.0° |
| C6 | C11 | C15 | C16 | 165.0° | 150.2° |
| C6 | C11 | C15 | C17 | 71.2° | 89.8° |
| C6 | C11 | C15 | H151 | 49.5° | 30.2° |
| C11 | C6 | S | OS1 | 132.5° | 19.3° |
| C11 | C6 | S | OS2 | 0.1° | 154.1° |
| S | C6 | C7 | C8 | 179.7° | 180.0° |
| S | C6 | C7 | C12 | 0.4° | 0.1° |
| S | C6 | C11 | C10 | 179.6° | 179.8° |
| S | C6 | C11 | C15 | 0.3° | 0.0° |
| C6 | S | OS1 | OS2 | 131.4° | 123.1° |
| C7 | C8 | C9 | H81 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.3° |
| C7 | C8 | C9 | C18 | 179.9° | 180.0° |
| C8 | C7 | C12 | C13 | 45.6° | 78.7° |
| C8 | C7 | C12 | C14 | 77.9° | 41.3° |
| C8 | C7 | C12 | H121 | 160.7° | 161.3° |
| C12 | C7 | C8 | C9 | 179.9° | 180.0° |
| C12 | C7 | C8 | H81 | 0.1° | 0.0° |
| C7 | C12 | C13 | C14 | 123.1° | 120.0° |
| C7 | C12 | C13 | H121 | 115.5° | 120.0° |
| C7 | C12 | C14 | H121 | 116.3° | 120.0° |
| C7 | C12 | C13 | H131 | 179.9° | 60.0° |
| C7 | C12 | C13 | H132 | 54.7° | 60.0° |
| C7 | C12 | C13 | H133 | 54.7° | 180.0° |
| C7 | C12 | C14 | H141 | 180.0° | 60.0° |
| C7 | C12 | C14 | H142 | 54.8° | 180.0° |
| C7 | C12 | C14 | H143 | 54.7° | 60.0° |
| C8 | C9 | C10 | C18 | 179.9° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.5° |
| C8 | C9 | C10 | H101 | 179.9° | 180.0° |
| C8 | C9 | C18 | C19 | 39.6° | 120.0° |
| C8 | C9 | C18 | C20 | 82.8° | 120.0° |
| C8 | C9 | C18 | H181 | 158.4° | 0.0° |
| H81 | C8 | C9 | C10 | 179.8° | 179.7° |
| H81 | C8 | C9 | C18 | 0.1° | 0.0° |
| C9 | C10 | C11 | H101 | 180.0° | 179.5° |
| C9 | C10 | C11 | C15 | 179.8° | 179.7° |
| C10 | C9 | C18 | C19 | 140.3° | 60.3° |
| C10 | C9 | C18 | C20 | 97.2° | 59.7° |
| C10 | C9 | C18 | H181 | 21.5° | 179.7° |
| C18 | C9 | C10 | C11 | 179.9° | 179.8° |
| C18 | C9 | C10 | H101 | 0.0° | 0.3° |
| C9 | C18 | C19 | C20 | 122.2° | 120.0° |
| C9 | C18 | C19 | H181 | 119.0° | 120.0° |
| C9 | C18 | C20 | H181 | 119.0° | 120.0° |
| C9 | C18 | C19 | H191 | 180.0° | 180.0° |
| C9 | C18 | C19 | H192 | 54.7° | 60.0° |
| C9 | C18 | C19 | H193 | 54.7° | 60.0° |
| C9 | C18 | C20 | H201 | 180.0° | 60.0° |
| C9 | C18 | C20 | H202 | 54.7° | 60.0° |
| C9 | C18 | C20 | H203 | 54.7° | 180.0° |
| C10 | C11 | C15 | C16 | 14.9° | 29.5° |
| C10 | C11 | C15 | C17 | 108.9° | 90.5° |
| C10 | C11 | C15 | H151 | 130.4° | 149.5° |
| H101 | C10 | C11 | C15 | 0.1° | 0.2° |
| C11 | C15 | C16 | C17 | 123.4° | 120.0° |
| C11 | C15 | C16 | H151 | 116.0° | 120.0° |
| C11 | C15 | C17 | H151 | 116.7° | 120.0° |
| C11 | C15 | C16 | H161 | 180.0° | 176.5° |
| C11 | C15 | C16 | H162 | 54.8° | 63.5° |
| C11 | C15 | C16 | H163 | 54.7° | 56.5° |
| C11 | C15 | C17 | H171 | 180.0° | 60.1° |
| C11 | C15 | C17 | H172 | 54.8° | 60.0° |
| C11 | C15 | C17 | H173 | 54.8° | 180.0° |
| C13 | C12 | C14 | H121 | 115.9° | 120.0° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.2° | 120.0° |
| C12 | C13 | H132 | H133 | 115.4° | 120.0° |
| C13 | C12 | C14 | H141 | 52.2° | 179.9° |
| C13 | C12 | C14 | H142 | 177.4° | 60.0° |
| C13 | C12 | C14 | H143 | 73.2° | 60.0° |
| C14 | C12 | C13 | H131 | 57.0° | 180.0° |
| C14 | C12 | C13 | H132 | 68.4° | 60.0° |
| C14 | C12 | C13 | H133 | 177.8° | 60.0° |
| C12 | C14 | H141 | H142 | 125.2° | 120.0° |
| C12 | C14 | H141 | H143 | 125.2° | 120.0° |
| C12 | C14 | H142 | H143 | 118.5° | 120.0° |
| H121 | C12 | C13 | H131 | 64.4° | 60.1° |
| H121 | C12 | C13 | H132 | 170.2° | 179.9° |
| H121 | C12 | C13 | H133 | 60.8° | 60.0° |
| H121 | C12 | C14 | H141 | 63.7° | 60.0° |
| H121 | C12 | C14 | H142 | 61.5° | 60.0° |
| H121 | C12 | C14 | H143 | 171.0° | 180.0° |
| H131 | C13 | H132 | H133 | 115.4° | 120.1° |
| H141 | C14 | H142 | H143 | 118.7° | 120.0° |
| C16 | C15 | C17 | H151 | 116.1° | 120.0° |
| C15 | C16 | H161 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H163 | 125.3° | 120.0° |
| C15 | C16 | H162 | H163 | 115.9° | 120.0° |
| C16 | C15 | C17 | H171 | 52.8° | 60.0° |
| C16 | C15 | C17 | H172 | 72.5° | 179.9° |
| C16 | C15 | C17 | H173 | 178.0° | 60.0° |
| C17 | C15 | C16 | H161 | 56.7° | 56.5° |
| C17 | C15 | C16 | H162 | 178.1° | 176.5° |
| C17 | C15 | C16 | H163 | 68.6° | 63.5° |
| C15 | C17 | H171 | H172 | 125.3° | 120.0° |
| C15 | C17 | H171 | H173 | 125.2° | 120.0° |
| C15 | C17 | H172 | H173 | 118.4° | 120.0° |
| H151 | C15 | C16 | H161 | 64.0° | 63.5° |
| H151 | C15 | C16 | H162 | 61.2° | 56.5° |
| H151 | C15 | C16 | H163 | 170.7° | 176.5° |
| H151 | C15 | C17 | H171 | 63.3° | 179.9° |
| H151 | C15 | C17 | H172 | 171.5° | 60.0° |
| H151 | C15 | C17 | H173 | 61.9° | 60.0° |
| H161 | C16 | H162 | H163 | 115.8° | 119.9° |
| H171 | C17 | H172 | H173 | 118.4° | 120.0° |
| C19 | C18 | C20 | H181 | 118.8° | 120.0° |
| C18 | C19 | H191 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.0° |
| C18 | C19 | H192 | H193 | 117.8° | 120.0° |
| C19 | C18 | C20 | H201 | 57.7° | 60.0° |
| C19 | C18 | C20 | H202 | 177.0° | 180.0° |
| C19 | C18 | C20 | H203 | 67.6° | 59.9° |
| C20 | C18 | C19 | H191 | 57.8° | 60.0° |
| C20 | C18 | C19 | H192 | 67.5° | 180.0° |
| C20 | C18 | C19 | H193 | 176.9° | 60.1° |
| C18 | C20 | H201 | H202 | 125.3° | 120.0° |
| C18 | C20 | H201 | H203 | 125.3° | 120.0° |
| C18 | C20 | H202 | H203 | 117.9° | 120.0° |
| H181 | C18 | C19 | H191 | 61.0° | 60.0° |
| H181 | C18 | C19 | H192 | 173.7° | 60.0° |
| H181 | C18 | C19 | H193 | 64.3° | 180.0° |
| H181 | C18 | C20 | H201 | 61.0° | 180.0° |
| H181 | C18 | C20 | H202 | 64.2° | 60.0° |
| H181 | C18 | C20 | H203 | 173.7° | 60.0° |
| H191 | C19 | H192 | H193 | 117.9° | 120.0° |
| H201 | C20 | H202 | H203 | 117.8° | 120.0° |
| N1 | C1 | C2 | H11 | 125.3° | 119.7° |
| N1 | C1 | C2 | H12 | 125.3° | 119.7° |
| N1 | C1 | H11 | H12 | 119.7° | 120.4° |
| N1 | C1 | C2 | N2 | 68.9° | 49.4° |
| N1 | C1 | C2 | H21 | 165.9° | 169.1° |
| N1 | C1 | C2 | H22 | 56.4° | 70.3° |
| C1 | N1 | C5 | C4 | 59.6° | 54.9° |
| C1 | N1 | C5 | H51 | 175.2° | 174.8° |
| C1 | N1 | C5 | H52 | 65.7° | 64.8° |
| C5 | N1 | C1 | C2 | 66.7° | 54.9° |
| C5 | N1 | C1 | H11 | 58.6° | 64.8° |
| C5 | N1 | C1 | H12 | 168.1° | 174.7° |
| N1 | C5 | C4 | N2 | 54.2° | 49.2° |
| N1 | C5 | C4 | H51 | 125.3° | 120.0° |
| N1 | C5 | C4 | H52 | 125.3° | 119.5° |
| N1 | C5 | C4 | H41 | 179.5° | 169.0° |
| N1 | C5 | C4 | H42 | 71.1° | 70.5° |
| N1 | C5 | H51 | H52 | 119.5° | 120.0° |
| C2 | C1 | H11 | H12 | 119.7° | 120.4° |
| C1 | C2 | N2 | H21 | 125.2° | 119.7° |
| C1 | C2 | N2 | H22 | 125.2° | 119.7° |
| C1 | C2 | H21 | H22 | 118.8° | 120.4° |
| C1 | C2 | N2 | C4 | 60.5° | 55.3° |
| C1 | C2 | N2 | C21 | 144.2° | 124.8° |
| H11 | C1 | C2 | N2 | 56.4° | 70.3° |
| H11 | C1 | C2 | H21 | 68.8° | 49.4° |
| H11 | C1 | C2 | H22 | 178.3° | 169.9° |
| H12 | C1 | C2 | N2 | 165.9° | 169.2° |
| H12 | C1 | C2 | H21 | 40.6° | 71.1° |
| H12 | C1 | C2 | H22 | 68.9° | 49.4° |
| N2 | C2 | H21 | H22 | 118.8° | 120.4° |
| C2 | N2 | C4 | C21 | 153.7° | 180.0° |
| C2 | N2 | C4 | C5 | 58.3° | 55.1° |
| C2 | N2 | C4 | H41 | 176.5° | 174.9° |
| C2 | N2 | C4 | H42 | 66.9° | 64.4° |
| C2 | N2 | C21 | O1 | 162.0° | 0.0° |
| C2 | N2 | C21 | C22 | 18.0° | 180.0° |
| H21 | C2 | N2 | C4 | 174.3° | 175.0° |
| H21 | C2 | N2 | C21 | 19.0° | 5.0° |
| H22 | C2 | N2 | C4 | 64.7° | 64.5° |
| H22 | C2 | N2 | C21 | 90.6° | 115.5° |
| N2 | C4 | C5 | H41 | 125.2° | 119.8° |
| N2 | C4 | C5 | H42 | 125.3° | 119.7° |
| N2 | C4 | H41 | H42 | 115.4° | 120.6° |
| N2 | C4 | C5 | H51 | 179.5° | 169.2° |
| N2 | C4 | C5 | H52 | 71.1° | 70.3° |
| C4 | N2 | C21 | O1 | 11.7° | 180.0° |
| C4 | N2 | C21 | C22 | 168.3° | 0.1° |
| C21 | N2 | C4 | C5 | 148.0° | 124.9° |
| C21 | N2 | C4 | H41 | 22.8° | 5.1° |
| C21 | N2 | C4 | H42 | 86.7° | 115.6° |
| N2 | C21 | O1 | C22 | 180.0° | 180.0° |
| N2 | C21 | C22 | C23 | 178.2° | 180.0° |
| N2 | C21 | C22 | H221 | 56.5° | 60.0° |
| N2 | C21 | C22 | H222 | 52.9° | 60.0° |
| C5 | C4 | H41 | H42 | 115.2° | 120.2° |
| C4 | C5 | H51 | H52 | 119.5° | 120.5° |
| H41 | C4 | C5 | H51 | 55.3° | 71.1° |
| H41 | C4 | C5 | H52 | 54.2° | 49.5° |
| H42 | C4 | C5 | H51 | 54.2° | 49.4° |
| H42 | C4 | C5 | H52 | 163.6° | 170.0° |
| O1 | C21 | C22 | C23 | 1.7° | 0.0° |
| O1 | C21 | C22 | H221 | 123.5° | 120.0° |
| O1 | C21 | C22 | H222 | 127.0° | 120.0° |
| C21 | C22 | C23 | H221 | 125.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.1° |
| C21 | C22 | H221 | H222 | 116.9° | 120.0° |
| C21 | C22 | C23 | N24 | 162.5° | 180.0° |
| C21 | C22 | C23 | H231 | 37.1° | 60.0° |
| C21 | C22 | C23 | H232 | 72.3° | 59.9° |
| C23 | C22 | H221 | H222 | 117.0° | 120.0° |
| C22 | C23 | N24 | H231 | 125.3° | 120.1° |
| C22 | C23 | N24 | H232 | 125.2° | 120.1° |
| C22 | C23 | H231 | H232 | 117.4° | 120.0° |
| C22 | C23 | N24 | H241 | 180.0° | 180.0° |
| C22 | C23 | N24 | H242 | 54.7° | 66.2° |
| H221 | C22 | C23 | N24 | 72.3° | 60.0° |
| H221 | C22 | C23 | H231 | 162.4° | 180.0° |
| H221 | C22 | C23 | H232 | 53.0° | 60.0° |
| H222 | C22 | C23 | N24 | 37.2° | 59.9° |
| H222 | C22 | C23 | H231 | 88.1° | 60.1° |
| H222 | C22 | C23 | H232 | 162.5° | 180.0° |
| N24 | C23 | H231 | H232 | 117.5° | 119.9° |
| C23 | N24 | H241 | H242 | 125.3° | 113.7° |
| H231 | C23 | N24 | H241 | 54.7° | 60.0° |
| H231 | C23 | N24 | H242 | 70.6° | 173.7° |
| H232 | C23 | N24 | H241 | 54.7° | 59.9° |
| H232 | C23 | N24 | H242 | 179.9° | 53.9° |
