OQ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.44Å | 1.31Å | |
| O12 | C14 | sing | 1.44Å | 1.59Å | |
| C11 | C10 | sing | 1.54Å | 1.46Å | |
| O15 | C14 | sing | 1.43Å | 1.64Å | |
| O15 | C16 | sing | 1.44Å | 1.30Å | |
| C14 | C13 | sing | 1.55Å | 1.25Å | |
| C30 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C30 | C33 | sing | 1.38Å | 1.54Å | Aromatic |
| C31 | C04 | sing | 1.38Å | 1.52Å | Aromatic |
| O36 | C41 | sing | 1.43Å | 1.40Å | |
| C10 | C13 | sing | 1.54Å | 1.56Å | |
| C13 | C17 | sing | 1.55Å | 1.58Å | |
| O37 | C17 | sing | 1.45Å | 1.36Å | |
| O37 | C38 | sing | 1.35Å | 1.40Å | |
| C16 | C17 | sing | 1.55Å | 1.49Å | |
| N39 | C38 | sing | 1.35Å | 1.45Å | |
| N39 | C40 | sing | 1.46Å | 1.45Å | |
| C35 | C33 | sing | 1.51Å | 1.53Å | |
| C35 | C40 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.52Å | Aromatic |
| C38 | O34 | doub | 1.21Å | 1.19Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C32 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C44 | N45 | sing | 1.46Å | 1.45Å | |
| C44 | C42 | sing | 1.53Å | 1.52Å | |
| N45 | C29 | sing | 1.35Å | 1.46Å | |
| C42 | C23 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.55Å | 1.59Å | |
| C07 | C06 | sing | 1.54Å | 1.59Å | |
| C08 | C25 | sing | 1.55Å | 1.37Å | |
| C29 | O28 | doub | 1.21Å | 1.40Å | |
| C29 | C27 | sing | 1.51Å | 1.52Å | |
| C06 | C05 | sing | 1.54Å | 1.36Å | |
| C27 | C25 | sing | 1.53Å | 1.52Å | |
| C27 | N26 | sing | 1.46Å | 1.45Å | |
| C23 | C22 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C18 | sing | 1.38Å | 1.53Å | Aromatic |
| C25 | C05 | sing | 1.54Å | 1.66Å | |
| O24 | C01 | doub | 1.22Å | 1.18Å | |
| C22 | C21 | sing | 1.38Å | 1.53Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.52Å | Aromatic |
| N26 | C01 | sing | 1.35Å | 1.45Å | |
| C01 | O02 | sing | 1.35Å | 1.40Å | |
| C21 | C20 | doub | 1.38Å | 1.52Å | Aromatic |
| O02 | C09 | sing | 1.45Å | 1.39Å | |
| C19 | C20 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | 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 | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å | |
| O36 | H361 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | O12 | C14 | 108.9° | 105.6° |
| O12 | C11 | C10 | 106.2° | 104.8° |
| O12 | C11 | H111 | 110.3° | 110.4° |
| O12 | C11 | H112 | 110.3° | 110.4° |
| O12 | C14 | O15 | 110.5° | 110.0° |
| O12 | C14 | C13 | 108.2° | 104.8° |
| O12 | C14 | H141 | 108.7° | 111.4° |
| C11 | C10 | C13 | 105.5° | 104.2° |
| C11 | C10 | H102 | 110.4° | 110.5° |
| C11 | C10 | H101 | 110.4° | 110.6° |
| C10 | C11 | H111 | 110.3° | 110.3° |
| C10 | C11 | H112 | 110.3° | 110.4° |
| C14 | O15 | C16 | 106.3° | 110.0° |
| O15 | C14 | C13 | 107.3° | 107.6° |
| O15 | C14 | H141 | 108.1° | 111.3° |
| O15 | C16 | C17 | 102.7° | 104.8° |
| O15 | C16 | H161 | 111.2° | 110.0° |
| O15 | C16 | H162 | 111.2° | 111.1° |
| C14 | C13 | C10 | 106.3° | 104.0° |
| C14 | C13 | C17 | 105.2° | 102.3° |
| C14 | C13 | H131 | 114.4° | 114.4° |
| C13 | C14 | H141 | 114.1° | 111.5° |
| C31 | C30 | C33 | 119.9° | 120.0° |
| C30 | C31 | C04 | 120.1° | 120.0° |
| C31 | C30 | H301 | 120.1° | 120.0° |
| C30 | C31 | H311 | 120.0° | 120.0° |
| C30 | C33 | C35 | 120.1° | 120.0° |
| C30 | C33 | C32 | 119.7° | 120.0° |
| C33 | C30 | H301 | 120.0° | 120.0° |
| C31 | C04 | C03 | 120.3° | 120.0° |
| C31 | C04 | H041 | 119.8° | 120.0° |
| C04 | C31 | H311 | 119.9° | 120.0° |
| O36 | C41 | C40 | 110.0° | 109.4° |
| O36 | C41 | C43 | 107.4° | 109.5° |
| O36 | C41 | H411 | 110.6° | 109.5° |
| C41 | O36 | H361 | 109.5° | 114.0° |
| C10 | C13 | C17 | 112.8° | 108.3° |
| C13 | C10 | H102 | 110.5° | 110.5° |
| C13 | C10 | H101 | 110.4° | 110.4° |
| C10 | C13 | H131 | 109.2° | 113.4° |
| C13 | C17 | O37 | 110.9° | 111.1° |
| C13 | C17 | C16 | 102.1° | 101.3° |
| C17 | C13 | H131 | 108.9° | 113.5° |
| C13 | C17 | H171 | 109.7° | 111.0° |
| C17 | O37 | C38 | 117.5° | 117.0° |
| O37 | C17 | C16 | 109.3° | 111.1° |
| O37 | C17 | H171 | 113.2° | 110.9° |
| O37 | C38 | N39 | 117.7° | 120.0° |
| O37 | C38 | O34 | 121.5° | 120.0° |
| C16 | C17 | H171 | 111.0° | 111.1° |
| C17 | C16 | H161 | 111.1° | 110.3° |
| C17 | C16 | H162 | 111.2° | 110.3° |
| C38 | N39 | C40 | 121.3° | 120.0° |
| N39 | C38 | O34 | 120.8° | 120.0° |
| C38 | N39 | H391 | 119.4° | 120.0° |
| N39 | C40 | C35 | 108.3° | 109.5° |
| N39 | C40 | C41 | 109.9° | 109.5° |
| N39 | C40 | H401 | 110.8° | 109.5° |
| C40 | N39 | H391 | 119.4° | 120.0° |
| C33 | C35 | C40 | 110.4° | 109.5° |
| C35 | C33 | C32 | 120.2° | 120.1° |
| C33 | C35 | H351 | 109.2° | 109.5° |
| C33 | C35 | H352 | 109.3° | 109.5° |
| C35 | C40 | C41 | 108.4° | 109.5° |
| C40 | C35 | H351 | 109.2° | 109.5° |
| C40 | C35 | H352 | 109.2° | 109.4° |
| C35 | C40 | H401 | 109.7° | 109.4° |
| C33 | C32 | C03 | 119.7° | 120.0° |
| C33 | C32 | H321 | 120.2° | 119.9° |
| C04 | C03 | C32 | 120.3° | 120.0° |
| C04 | C03 | H031 | 119.8° | 120.0° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C40 | C41 | C43 | 111.2° | 109.5° |
| C41 | C40 | H401 | 109.7° | 109.4° |
| C40 | C41 | H411 | 108.8° | 109.5° |
| C41 | C43 | C44 | 113.1° | 109.4° |
| C43 | C41 | H411 | 108.8° | 109.5° |
| C41 | C43 | H431 | 108.6° | 109.5° |
| C41 | C43 | H432 | 108.6° | 109.4° |
| C43 | C44 | N45 | 111.4° | 109.5° |
| C43 | C44 | C42 | 106.4° | 109.4° |
| C44 | C43 | H431 | 108.6° | 109.5° |
| C44 | C43 | H432 | 108.6° | 109.5° |
| C43 | C44 | H441 | 110.0° | 109.5° |
| C32 | C03 | H031 | 119.8° | 120.1° |
| C03 | C32 | H321 | 120.2° | 120.0° |
| N45 | C44 | C42 | 108.0° | 109.4° |
| C44 | N45 | C29 | 114.4° | 120.0° |
| N45 | C44 | H441 | 111.0° | 109.5° |
| C44 | N45 | H451 | 122.8° | 120.0° |
| C44 | C42 | C23 | 110.1° | 109.4° |
| C44 | C42 | H422 | 109.3° | 109.5° |
| C44 | C42 | H421 | 109.3° | 109.5° |
| C42 | C44 | H441 | 109.9° | 109.5° |
| N45 | C29 | O28 | 121.2° | 120.0° |
| N45 | C29 | C27 | 119.0° | 120.0° |
| C29 | N45 | H451 | 122.8° | 120.0° |
| C42 | C23 | C22 | 120.6° | 120.0° |
| C42 | C23 | C18 | 119.5° | 120.0° |
| C23 | C42 | H422 | 109.3° | 109.5° |
| C23 | C42 | H421 | 109.4° | 109.5° |
| C08 | C07 | C06 | 104.0° | 104.2° |
| C07 | C08 | C25 | 105.1° | 102.8° |
| C08 | C07 | H071 | 110.8° | 110.5° |
| C08 | C07 | H072 | 110.8° | 110.5° |
| C07 | C08 | H081 | 110.6° | 110.8° |
| C07 | C08 | H082 | 110.6° | 110.7° |
| C07 | C06 | C05 | 106.0° | 106.6° |
| C07 | C06 | H062 | 110.3° | 110.0° |
| C07 | C06 | H061 | 110.3° | 110.1° |
| C06 | C07 | H071 | 110.8° | 110.5° |
| C06 | C07 | H072 | 110.8° | 110.4° |
| C08 | C25 | C27 | 111.4° | 110.5° |
| C08 | C25 | C05 | 107.8° | 104.2° |
| C25 | C08 | H081 | 110.5° | 110.7° |
| C25 | C08 | H082 | 110.6° | 110.7° |
| C08 | C25 | H251 | 112.3° | 110.5° |
| O28 | C29 | C27 | 119.8° | 120.0° |
| C29 | C27 | C25 | 112.6° | 109.5° |
| C29 | C27 | N26 | 108.1° | 109.5° |
| C29 | C27 | H271 | 108.9° | 109.4° |
| C06 | C05 | C25 | 108.2° | 106.6° |
| C06 | C05 | H051 | 109.8° | 110.0° |
| C06 | C05 | H052 | 109.8° | 110.0° |
| C05 | C06 | H062 | 110.3° | 110.0° |
| C05 | C06 | H061 | 110.4° | 110.1° |
| C25 | C27 | N26 | 108.6° | 109.5° |
| C27 | C25 | C05 | 106.8° | 110.5° |
| C27 | C25 | H251 | 110.0° | 110.5° |
| C25 | C27 | H271 | 108.9° | 109.5° |
| C27 | N26 | C01 | 120.0° | 120.0° |
| N26 | C27 | H271 | 109.8° | 109.5° |
| C27 | N26 | H261 | 120.0° | 120.0° |
| C22 | C23 | C18 | 119.9° | 120.0° |
| C23 | C22 | C21 | 119.7° | 119.9° |
| C23 | C22 | H221 | 120.1° | 120.0° |
| C23 | C18 | C19 | 119.8° | 120.0° |
| C23 | C18 | H181 | 120.1° | 120.0° |
| C25 | C05 | H051 | 109.8° | 110.1° |
| C25 | C05 | H052 | 109.8° | 110.0° |
| C05 | C25 | H251 | 108.3° | 110.5° |
| O24 | C01 | N26 | 120.5° | 120.0° |
| O24 | C01 | O02 | 120.5° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.1° |
| C22 | C21 | H211 | 119.9° | 119.9° |
| C21 | C22 | H221 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H181 | 120.1° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| N26 | C01 | O02 | 119.0° | 120.0° |
| C01 | N26 | H261 | 120.0° | 120.0° |
| C01 | O02 | C09 | 114.3° | 117.0° |
| C21 | C20 | C19 | 120.3° | 119.9° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | H211 | 119.9° | 120.0° |
| O02 | C09 | H091 | 109.5° | 109.4° |
| O02 | C09 | H092 | 109.5° | 109.4° |
| O02 | C09 | H093 | 109.5° | 109.5° |
| C19 | C20 | H201 | 119.9° | 120.1° |
| C20 | C19 | H191 | 119.9° | 119.9° |
| H102 | C10 | H101 | 109.5° | 110.4° |
| H051 | C05 | H052 | 109.5° | 110.0° |
| H062 | C06 | H061 | 109.5° | 110.0° |
| H071 | C07 | H072 | 109.5° | 110.5° |
| H081 | C08 | H082 | 109.5° | 110.8° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.4° | 110.4° |
| H161 | C16 | H162 | 109.4° | 110.2° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | H111 | 119.5° | 118.8° |
| O12 | C11 | C10 | H112 | 119.5° | 118.9° |
| C11 | O12 | C14 | O15 | 119.9° | 75.7° |
| C11 | O12 | C14 | C13 | 2.7° | 39.7° |
| O12 | C11 | C10 | C13 | 20.1° | 24.5° |
| O12 | C11 | C10 | H102 | 99.2° | 143.3° |
| O12 | C11 | C10 | H101 | 139.5° | 94.1° |
| O12 | C11 | H111 | H112 | 121.5° | 122.4° |
| C11 | O12 | C14 | H141 | 121.7° | 160.4° |
| C14 | O12 | C11 | C10 | 11.8° | 40.5° |
| O12 | C14 | O15 | C13 | 117.7° | 113.6° |
| O12 | C14 | O15 | H141 | 118.8° | 124.0° |
| O12 | C14 | O15 | C16 | 129.3° | 108.4° |
| O12 | C14 | C13 | H141 | 121.1° | 120.6° |
| O12 | C14 | C13 | C10 | 14.9° | 22.8° |
| O12 | C14 | C13 | C17 | 104.9° | 135.4° |
| O12 | C14 | C13 | H131 | 135.6° | 101.4° |
| C14 | O12 | C11 | H111 | 131.3° | 78.3° |
| C14 | O12 | C11 | H112 | 107.7° | 159.4° |
| C11 | C10 | C13 | C14 | 22.4° | 1.0° |
| C11 | C10 | C13 | H102 | 119.4° | 118.7° |
| C11 | C10 | C13 | H101 | 119.3° | 118.8° |
| C11 | C10 | C13 | C17 | 92.5° | 107.3° |
| C11 | C10 | H102 | H101 | 121.8° | 122.7° |
| C11 | C10 | C13 | H131 | 146.3° | 125.9° |
| C10 | C11 | H111 | H112 | 121.5° | 122.3° |
| O15 | C14 | C13 | H141 | 119.7° | 122.3° |
| O15 | C14 | C13 | C10 | 134.2° | 94.2° |
| O15 | C14 | C13 | C17 | 14.3° | 18.4° |
| C14 | O15 | C16 | C17 | 32.3° | 27.0° |
| O15 | C14 | C13 | H131 | 105.2° | 141.6° |
| C14 | O15 | C16 | H161 | 151.2° | 145.5° |
| C14 | O15 | C16 | H162 | 86.6° | 92.2° |
| C16 | O15 | C14 | C13 | 11.6° | 5.2° |
| O15 | C16 | C17 | C13 | 40.5° | 37.1° |
| O15 | C16 | C17 | O37 | 77.0° | 155.2° |
| O15 | C16 | C17 | H161 | 118.9° | 118.3° |
| O15 | C16 | C17 | H162 | 118.9° | 119.6° |
| O15 | C16 | C17 | H171 | 157.4° | 80.8° |
| C16 | O15 | C14 | H141 | 111.9° | 127.6° |
| O15 | C16 | H161 | H162 | 123.2° | 122.8° |
| C14 | C13 | C10 | C17 | 114.8° | 108.3° |
| C14 | C13 | C10 | H131 | 123.9° | 124.9° |
| C14 | C13 | C17 | H131 | 123.1° | 123.8° |
| C14 | C13 | C17 | O37 | 82.7° | 150.9° |
| C14 | C13 | C17 | C16 | 33.7° | 32.8° |
| C14 | C13 | C10 | H102 | 97.0° | 119.8° |
| C14 | C13 | C10 | H101 | 141.7° | 117.8° |
| C14 | C13 | C17 | H171 | 151.5° | 85.2° |
| C31 | C30 | C33 | H301 | 180.0° | 179.7° |
| C30 | C31 | C04 | H311 | 180.0° | 179.9° |
| C31 | C30 | C33 | C35 | 180.0° | 180.0° |
| C31 | C30 | C33 | C32 | 0.3° | 0.3° |
| C30 | C31 | C04 | C03 | 0.0° | 0.1° |
| C30 | C31 | C04 | H041 | 180.0° | 179.9° |
| C33 | C30 | C31 | C04 | 0.1° | 0.4° |
| C30 | C33 | C35 | C32 | 179.7° | 179.7° |
| C30 | C33 | C35 | C40 | 113.2° | 90.0° |
| C30 | C33 | C32 | C03 | 0.3° | 0.0° |
| C33 | C30 | C31 | H311 | 179.9° | 179.7° |
| C30 | C33 | C32 | H321 | 179.7° | 180.0° |
| C30 | C33 | C35 | H351 | 126.7° | 150.0° |
| C30 | C33 | C35 | H352 | 7.0° | 30.0° |
| C31 | C04 | C03 | H041 | 180.0° | 180.0° |
| C31 | C04 | C03 | C32 | 0.0° | 0.2° |
| C31 | C04 | C03 | H031 | 180.0° | 180.0° |
| C04 | C31 | C30 | H301 | 179.9° | 179.9° |
| O36 | C41 | C40 | N39 | 50.7° | 60.0° |
| O36 | C41 | C40 | C35 | 67.5° | 60.1° |
| O36 | C41 | C40 | C43 | 118.9° | 119.9° |
| O36 | C41 | C40 | H411 | 121.3° | 120.0° |
| O36 | C41 | C43 | H411 | 119.7° | 120.0° |
| O36 | C41 | C43 | C44 | 154.6° | 65.0° |
| O36 | C41 | C40 | H401 | 172.8° | 180.0° |
| O36 | C41 | C43 | H431 | 34.1° | 54.9° |
| O36 | C41 | C43 | H432 | 84.9° | 175.0° |
| C10 | C13 | C17 | H131 | 121.5° | 126.8° |
| C10 | C13 | C17 | O37 | 32.8° | 41.5° |
| C10 | C13 | C17 | C16 | 149.1° | 76.6° |
| C13 | C10 | H102 | H101 | 121.9° | 122.5° |
| C10 | C13 | C17 | H171 | 93.0° | 165.4° |
| C13 | C10 | C11 | H111 | 139.6° | 94.3° |
| C13 | C10 | C11 | H112 | 99.4° | 143.5° |
| C10 | C13 | C14 | H141 | 106.1° | 143.5° |
| C13 | C17 | O37 | C16 | 111.8° | 111.9° |
| C13 | C17 | O37 | H171 | 123.8° | 124.0° |
| C13 | C17 | O37 | C38 | 104.4° | 150.0° |
| C13 | C17 | C16 | H171 | 116.9° | 117.9° |
| C17 | C13 | C10 | H102 | 148.2° | 11.5° |
| C17 | C13 | C10 | H101 | 26.9° | 133.9° |
| C17 | C13 | C14 | H141 | 134.0° | 103.9° |
| C13 | C17 | C16 | H161 | 159.4° | 155.4° |
| C13 | C17 | C16 | H162 | 78.4° | 82.5° |
| O37 | C17 | C16 | H171 | 125.6° | 124.0° |
| C17 | O37 | C38 | N39 | 171.9° | 180.0° |
| C17 | O37 | C38 | O34 | 7.9° | 0.0° |
| O37 | C17 | C13 | H131 | 154.2° | 85.3° |
| O37 | C17 | C16 | H161 | 41.9° | 86.5° |
| O37 | C17 | C16 | H162 | 164.1° | 35.5° |
| C38 | O37 | C17 | C16 | 143.8° | 98.1° |
| O37 | C38 | N39 | O34 | 179.8° | 179.9° |
| O37 | C38 | N39 | C40 | 174.6° | 180.0° |
| C38 | O37 | C17 | H171 | 19.4° | 26.0° |
| O37 | C38 | N39 | H391 | 5.4° | 0.1° |
| C16 | C17 | C13 | H131 | 89.4° | 156.6° |
| C17 | C16 | H161 | H162 | 123.2° | 122.1° |
| C38 | N39 | C40 | H391 | 180.0° | 179.9° |
| C38 | N39 | C40 | C35 | 118.8° | 85.0° |
| C38 | N39 | C40 | C41 | 122.9° | 154.9° |
| C38 | N39 | C40 | H401 | 1.6° | 34.9° |
| N39 | C40 | C35 | C33 | 56.2° | 65.0° |
| N39 | C40 | C35 | C41 | 119.2° | 120.1° |
| N39 | C40 | C35 | H401 | 121.1° | 120.0° |
| C40 | N39 | C38 | O34 | 5.6° | 0.1° |
| N39 | C40 | C41 | H401 | 122.1° | 120.0° |
| N39 | C40 | C41 | C43 | 68.2° | 60.0° |
| N39 | C40 | C35 | H351 | 176.3° | 175.0° |
| N39 | C40 | C35 | H352 | 63.9° | 55.0° |
| N39 | C40 | C41 | H411 | 172.0° | 180.0° |
| C33 | C35 | C40 | H351 | 120.1° | 120.0° |
| C33 | C35 | C40 | H352 | 120.1° | 120.0° |
| C33 | C35 | C40 | C41 | 175.5° | 174.9° |
| C35 | C33 | C32 | C03 | 180.0° | 179.7° |
| C35 | C33 | C30 | H301 | 0.0° | 0.3° |
| C35 | C33 | C32 | H321 | 0.0° | 0.4° |
| C33 | C35 | H351 | H352 | 119.6° | 120.1° |
| C33 | C35 | C40 | H401 | 64.8° | 55.0° |
| C40 | C35 | C33 | C32 | 67.1° | 90.3° |
| C35 | C40 | C41 | H401 | 119.7° | 120.0° |
| C35 | C40 | C41 | C43 | 173.5° | 180.0° |
| C40 | C35 | H351 | H352 | 119.6° | 120.0° |
| C35 | C40 | C41 | H411 | 53.7° | 60.0° |
| C35 | C40 | N39 | H391 | 61.2° | 95.1° |
| C33 | C32 | C03 | C04 | 0.1° | 0.2° |
| C33 | C32 | C03 | H321 | 180.0° | 179.9° |
| C33 | C32 | C03 | H031 | 179.9° | 180.0° |
| C32 | C33 | C30 | H301 | 179.7° | 180.0° |
| C32 | C33 | C35 | H351 | 53.0° | 29.7° |
| C32 | C33 | C35 | H352 | 172.8° | 149.7° |
| C04 | C03 | C32 | H031 | 180.0° | 179.8° |
| C03 | C04 | C31 | H311 | 180.0° | 180.0° |
| C04 | C03 | C32 | H321 | 179.9° | 179.7° |
| O34 | C38 | N39 | H391 | 174.4° | 180.0° |
| C40 | C41 | C43 | H411 | 119.8° | 120.0° |
| C40 | C41 | C43 | C44 | 85.0° | 175.0° |
| C41 | C40 | C35 | H351 | 64.4° | 55.0° |
| C41 | C40 | C35 | H352 | 55.3° | 65.0° |
| C40 | C41 | C43 | H431 | 154.5° | 65.0° |
| C40 | C41 | C43 | H432 | 35.5° | 55.1° |
| C41 | C40 | N39 | H391 | 57.1° | 25.0° |
| C40 | C41 | O36 | H361 | 180.0° | 59.9° |
| C41 | C43 | C44 | H431 | 120.5° | 120.0° |
| C41 | C43 | C44 | H432 | 120.5° | 119.9° |
| C41 | C43 | C44 | N45 | 49.9° | 65.1° |
| C41 | C43 | C44 | C42 | 167.4° | 175.0° |
| C43 | C41 | C40 | H401 | 53.8° | 60.0° |
| C41 | C43 | H431 | H432 | 118.4° | 120.0° |
| C41 | C43 | C44 | H441 | 73.6° | 55.0° |
| C43 | C41 | O36 | H361 | 58.8° | 60.0° |
| C43 | C44 | N45 | C42 | 116.5° | 119.9° |
| C43 | C44 | N45 | H441 | 122.9° | 120.1° |
| C43 | C44 | C42 | H441 | 119.1° | 120.0° |
| C43 | C44 | N45 | C29 | 115.6° | 155.0° |
| C43 | C44 | C42 | C23 | 174.5° | 175.0° |
| C44 | C43 | C41 | H411 | 34.9° | 55.0° |
| C43 | C44 | C42 | H422 | 65.4° | 55.0° |
| C43 | C44 | C42 | H421 | 54.4° | 65.0° |
| C44 | C43 | H431 | H432 | 118.4° | 120.1° |
| C43 | C44 | N45 | H451 | 64.4° | 24.9° |
| C32 | C03 | C04 | H041 | 180.0° | 179.8° |
| N45 | C44 | C42 | H441 | 121.2° | 120.0° |
| C44 | N45 | C29 | H451 | 180.0° | 179.9° |
| N45 | C44 | C42 | C23 | 65.8° | 65.0° |
| C44 | N45 | C29 | O28 | 10.6° | 0.1° |
| C44 | N45 | C29 | C27 | 168.8° | 180.0° |
| N45 | C44 | C42 | H422 | 54.3° | 175.0° |
| N45 | C44 | C42 | H421 | 174.1° | 55.0° |
| N45 | C44 | C43 | H431 | 70.6° | 54.9° |
| N45 | C44 | C43 | H432 | 170.4° | 175.0° |
| C42 | C44 | N45 | C29 | 127.8° | 85.1° |
| C44 | C42 | C23 | H422 | 120.1° | 120.0° |
| C44 | C42 | C23 | H421 | 120.1° | 120.0° |
| C44 | C42 | C23 | C22 | 97.3° | 90.0° |
| C44 | C42 | C23 | C18 | 83.2° | 89.7° |
| C44 | C42 | H422 | H421 | 119.7° | 120.0° |
| C42 | C44 | C43 | H431 | 46.9° | 65.0° |
| C42 | C44 | C43 | H432 | 72.1° | 55.1° |
| C42 | C44 | N45 | H451 | 52.2° | 95.0° |
| N45 | C29 | O28 | C27 | 179.4° | 180.0° |
| N45 | C29 | C27 | C25 | 153.6° | 60.0° |
| N45 | C29 | C27 | N26 | 86.5° | 180.0° |
| N45 | C29 | C27 | H271 | 32.8° | 60.0° |
| C29 | N45 | C44 | H441 | 7.3° | 34.9° |
| C42 | C23 | C22 | C18 | 179.5° | 179.8° |
| C42 | C23 | C22 | C21 | 179.9° | 180.0° |
| C42 | C23 | C18 | C19 | 180.0° | 180.0° |
| C42 | C23 | C22 | H221 | 0.1° | 0.0° |
| C42 | C23 | C18 | H181 | 0.0° | 0.0° |
| C23 | C42 | H422 | H421 | 119.8° | 120.0° |
| C23 | C42 | C44 | H441 | 55.5° | 55.0° |
| C08 | C07 | C06 | H071 | 119.1° | 118.7° |
| C08 | C07 | C06 | H072 | 119.1° | 118.7° |
| C07 | C08 | C25 | H081 | 119.3° | 118.3° |
| C07 | C08 | C25 | H082 | 119.3° | 118.3° |
| C08 | C07 | C06 | C05 | 27.0° | 23.6° |
| C07 | C08 | C25 | C27 | 138.4° | 156.6° |
| C07 | C08 | C25 | C05 | 21.5° | 37.9° |
| C08 | C07 | C06 | H062 | 146.4° | 95.7° |
| C08 | C07 | C06 | H061 | 92.4° | 142.9° |
| C08 | C07 | H071 | H072 | 122.5° | 122.6° |
| C07 | C08 | H081 | H082 | 122.0° | 123.3° |
| C07 | C08 | C25 | H251 | 97.7° | 80.8° |
| C06 | C07 | C08 | C25 | 30.0° | 37.9° |
| C07 | C06 | C05 | H062 | 119.4° | 119.2° |
| C07 | C06 | C05 | H061 | 119.4° | 119.4° |
| C07 | C06 | C05 | C25 | 14.5° | 0.0° |
| C07 | C06 | C05 | H051 | 105.3° | 119.4° |
| C07 | C06 | C05 | H052 | 134.3° | 119.3° |
| C07 | C06 | H062 | H061 | 121.6° | 121.5° |
| C06 | C07 | H071 | H072 | 122.6° | 122.6° |
| C06 | C07 | C08 | H081 | 89.3° | 80.4° |
| C06 | C07 | C08 | H082 | 149.3° | 156.2° |
| C08 | C25 | C27 | C29 | 52.2° | 180.0° |
| C08 | C25 | C05 | C06 | 4.8° | 23.6° |
| C08 | C25 | C27 | C05 | 117.5° | 114.8° |
| C08 | C25 | C27 | H251 | 125.3° | 122.6° |
| C08 | C25 | C27 | N26 | 171.8° | 60.0° |
| C08 | C25 | C05 | H251 | 121.8° | 118.7° |
| C08 | C25 | C05 | H051 | 124.6° | 142.9° |
| C08 | C25 | C05 | H052 | 115.0° | 95.7° |
| C25 | C08 | C07 | H071 | 89.1° | 156.6° |
| C25 | C08 | C07 | H072 | 149.1° | 80.7° |
| C25 | C08 | H081 | H082 | 122.0° | 123.3° |
| C08 | C25 | C27 | H271 | 68.6° | 60.1° |
| O28 | C29 | C27 | C25 | 27.0° | 120.0° |
| O28 | C29 | C27 | N26 | 93.0° | 0.0° |
| O28 | C29 | C27 | H271 | 147.8° | 120.0° |
| O28 | C29 | N45 | H451 | 169.4° | 180.0° |
| C29 | C27 | C25 | N26 | 119.6° | 120.0° |
| C29 | C27 | C25 | H271 | 120.8° | 120.0° |
| C29 | C27 | N26 | H271 | 118.6° | 120.0° |
| C29 | C27 | C25 | C05 | 169.7° | 65.2° |
| C29 | C27 | N26 | C01 | 113.6° | 155.0° |
| C29 | C27 | C25 | H251 | 73.1° | 57.4° |
| C29 | C27 | N26 | H261 | 66.3° | 25.0° |
| C27 | C29 | N45 | H451 | 11.2° | 0.0° |
| C06 | C05 | C25 | C27 | 124.6° | 142.2° |
| C06 | C05 | C25 | H051 | 119.8° | 119.3° |
| C06 | C05 | C25 | H052 | 119.8° | 119.3° |
| C06 | C05 | H051 | H052 | 120.6° | 121.4° |
| C05 | C06 | H062 | H061 | 121.6° | 121.4° |
| C05 | C06 | C07 | H071 | 92.1° | 142.3° |
| C05 | C06 | C07 | H072 | 146.1° | 95.1° |
| C06 | C05 | C25 | H251 | 117.0° | 95.1° |
| C25 | C27 | N26 | H271 | 118.9° | 120.0° |
| C27 | C25 | C05 | H251 | 118.4° | 122.6° |
| C25 | C27 | N26 | C01 | 123.9° | 85.0° |
| C27 | C25 | C05 | H051 | 115.6° | 98.4° |
| C27 | C25 | C05 | H052 | 4.8° | 23.0° |
| C27 | C25 | C08 | H081 | 19.1° | 38.3° |
| C27 | C25 | C08 | H082 | 102.3° | 85.1° |
| C25 | C27 | N26 | H261 | 56.1° | 95.0° |
| N26 | C27 | C25 | C05 | 70.7° | 54.8° |
| C27 | N26 | C01 | O24 | 12.3° | 0.1° |
| C27 | N26 | C01 | H261 | 180.0° | 180.0° |
| C27 | N26 | C01 | O02 | 168.2° | 180.0° |
| N26 | C27 | C25 | H251 | 46.6° | 177.4° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C22 | C23 | C18 | C19 | 0.4° | 0.3° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H211 | 179.8° | 179.9° |
| C22 | C23 | C18 | H181 | 179.6° | 179.7° |
| C22 | C23 | C42 | H422 | 22.8° | 150.0° |
| C22 | C23 | C42 | H421 | 142.6° | 30.0° |
| C18 | C23 | C22 | C21 | 0.4° | 0.3° |
| C23 | C18 | C19 | H181 | 180.0° | 180.0° |
| C23 | C18 | C19 | C20 | 0.3° | 0.0° |
| C18 | C23 | C22 | H221 | 179.6° | 179.7° |
| C23 | C18 | C19 | H191 | 179.7° | 180.0° |
| C18 | C23 | C42 | H422 | 156.8° | 30.3° |
| C18 | C23 | C42 | H421 | 36.9° | 150.3° |
| C25 | C05 | H051 | H052 | 120.6° | 121.4° |
| C25 | C05 | C06 | H062 | 133.9° | 119.2° |
| C25 | C05 | C06 | H061 | 104.9° | 119.4° |
| C05 | C25 | C08 | H081 | 97.8° | 80.4° |
| C05 | C25 | C08 | H082 | 140.8° | 156.2° |
| C05 | C25 | C27 | H271 | 48.9° | 174.8° |
| O24 | C01 | N26 | O02 | 179.5° | 180.0° |
| O24 | C01 | O02 | C09 | 37.6° | 0.0° |
| O24 | C01 | N26 | H261 | 167.7° | 180.0° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.1° | 0.3° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | H201 | 179.9° | 180.0° |
| N26 | C01 | O02 | C09 | 141.9° | 180.0° |
| C01 | N26 | C27 | H271 | 5.0° | 35.1° |
| C01 | O02 | C09 | H091 | 180.0° | 180.0° |
| C01 | O02 | C09 | H092 | 60.0° | 60.0° |
| C01 | O02 | C09 | H093 | 60.0° | 60.0° |
| O02 | C01 | N26 | H261 | 11.8° | 0.0° |
| C21 | C20 | C19 | H201 | 180.0° | 179.7° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C21 | C20 | C19 | H191 | 179.9° | 179.7° |
| O02 | C09 | H091 | H092 | 120.0° | 119.9° |
| O02 | C09 | H091 | H093 | 120.0° | 120.0° |
| O02 | C09 | H092 | H093 | 120.0° | 120.0° |
| C19 | C20 | C21 | H211 | 179.9° | 179.8° |
| C20 | C19 | C18 | H181 | 179.7° | 180.0° |
| H102 | C10 | C13 | H131 | 26.9° | 115.4° |
| H102 | C10 | C11 | H111 | 20.3° | 24.5° |
| H102 | C10 | C11 | H112 | 141.2° | 97.8° |
| H101 | C10 | C13 | H131 | 94.4° | 7.1° |
| H101 | C10 | C11 | H111 | 101.0° | 147.0° |
| H101 | C10 | C11 | H112 | 20.0° | 24.8° |
| H131 | C13 | C17 | H171 | 28.4° | 38.6° |
| H131 | C13 | C14 | H141 | 14.5° | 19.3° |
| H171 | C17 | C16 | H161 | 83.7° | 37.5° |
| H171 | C17 | C16 | H162 | 38.5° | 159.5° |
| H201 | C20 | C21 | H211 | 0.1° | 0.1° |
| H201 | C20 | C19 | H191 | 0.1° | 0.1° |
| H211 | C21 | C22 | H221 | 0.2° | 0.1° |
| H031 | C03 | C04 | H041 | 0.0° | 0.0° |
| H031 | C03 | C32 | H321 | 0.1° | 0.1° |
| H041 | C04 | C31 | H311 | 0.0° | 0.0° |
| H051 | C05 | C06 | H062 | 14.1° | 121.4° |
| H051 | C05 | C06 | H061 | 135.3° | 0.0° |
| H051 | C05 | C25 | H251 | 2.8° | 24.2° |
| H052 | C05 | C06 | H062 | 106.3° | 0.0° |
| H052 | C05 | C06 | H061 | 14.9° | 121.3° |
| H052 | C05 | C25 | H251 | 123.2° | 145.6° |
| H062 | C06 | C07 | H071 | 27.3° | 23.0° |
| H062 | C06 | C07 | H072 | 94.5° | 145.7° |
| H061 | C06 | C07 | H071 | 148.4° | 98.4° |
| H061 | C06 | C07 | H072 | 26.7° | 24.3° |
| H071 | C07 | C08 | H081 | 151.6° | 38.3° |
| H071 | C07 | C08 | H082 | 30.2° | 85.1° |
| H072 | C07 | C08 | H081 | 29.9° | 160.9° |
| H072 | C07 | C08 | H082 | 91.6° | 37.6° |
| H081 | C08 | C25 | H251 | 143.0° | 160.9° |
| H082 | C08 | C25 | H251 | 21.6° | 37.5° |
| H091 | C09 | H092 | H093 | 120.0° | 120.1° |
| H181 | C18 | C19 | H191 | 0.3° | 0.1° |
| H251 | C25 | C27 | H271 | 166.1° | 62.6° |
| H271 | C27 | N26 | H261 | 175.0° | 145.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.1° |
| H351 | C35 | C40 | H401 | 55.3° | 65.0° |
| H352 | C35 | C40 | H401 | 175.0° | 175.0° |
| H401 | C40 | C41 | H411 | 66.0° | 60.0° |
| H401 | C40 | N39 | H391 | 178.4° | 145.0° |
| H411 | C41 | C43 | H431 | 85.7° | 175.0° |
| H411 | C41 | C43 | H432 | 155.4° | 65.0° |
| H411 | C41 | O36 | H361 | 59.8° | 180.0° |
| H422 | C42 | C44 | H441 | 175.5° | 65.0° |
| H421 | C42 | C44 | H441 | 64.7° | 175.0° |
| H431 | C43 | C44 | H441 | 165.9° | 175.0° |
| H432 | C43 | C44 | H441 | 47.0° | 64.9° |
| H441 | C44 | N45 | H451 | 172.7° | 145.0° |
