A1EQQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | sing | 1.47Å | 1.51Å | |
| C11 | N10 | sing | 1.35Å | 1.45Å | |
| C11 | O43 | doub | 1.22Å | 1.20Å | |
| C12 | C42 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N18 | C17 | sing | 1.47Å | 1.44Å | |
| N18 | C19 | sing | 1.39Å | 1.45Å | |
| N20 | C21 | sing | 1.46Å | 1.45Å | |
| N20 | C19 | sing | 1.39Å | 1.44Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | O24 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.26Å | |
| C31 | C32 | sing | 1.48Å | 1.50Å | |
| C31 | N30 | sing | 1.33Å | 1.32Å | Aromatic |
| C31 | N41 | doub | 1.33Å | 1.32Å | Aromatic |
| C32 | C40 | doub | 1.40Å | 1.38Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | N41 | sing | 1.32Å | 1.32Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C03 | N10 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C09 | sing | 1.38Å | 1.36Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | N14 | sing | 1.38Å | 1.45Å | |
| C13 | N30 | doub | 1.33Å | 1.31Å | Aromatic |
| C19 | C26 | doub | 1.33Å | 1.33Å | |
| C26 | N27 | sing | 1.48Å | 1.45Å | |
| N27 | O28 | doub | 1.22Å | 1.40Å | |
| N27 | O29 | sing | 1.22Å | 1.19Å | |
| C33 | N34 | doub | 1.32Å | 1.32Å | Aromatic |
| N34 | C35 | sing | 1.32Å | 1.33Å | Aromatic |
| C35 | O36 | sing | 1.36Å | 1.39Å | |
| C35 | C39 | doub | 1.39Å | 1.38Å | Aromatic |
| O36 | C37 | sing | 1.43Å | 1.41Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O25 | H1 | sing | 0.97Å | 0.95Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | N10 | 116.8° | 120.0° |
| C12 | C11 | O43 | 123.8° | 120.1° |
| C11 | C12 | C42 | 119.1° | 120.9° |
| C11 | C12 | C13 | 122.0° | 120.9° |
| N10 | C11 | O43 | 119.3° | 120.0° |
| C11 | N10 | C03 | 118.7° | 120.0° |
| C11 | N10 | H101 | 120.6° | 120.0° |
| C42 | C12 | C13 | 118.9° | 118.2° |
| C12 | C42 | N41 | 118.2° | 119.1° |
| C12 | C42 | H421 | 120.9° | 120.4° |
| C12 | C13 | N14 | 121.9° | 120.6° |
| C12 | C13 | N30 | 120.0° | 118.8° |
| C16 | C15 | N14 | 107.8° | 109.4° |
| C15 | C16 | C17 | 112.5° | 109.5° |
| C16 | C15 | H151 | 109.9° | 109.5° |
| C16 | C15 | H152 | 109.9° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| C15 | C16 | H161 | 108.7° | 109.5° |
| C15 | N14 | C13 | 117.9° | 120.0° |
| N14 | C15 | H151 | 109.9° | 109.5° |
| N14 | C15 | H152 | 109.9° | 109.5° |
| C15 | N14 | H141 | 107.3° | 120.0° |
| C16 | C17 | N18 | 110.2° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.4° |
| C16 | C17 | H171 | 109.3° | 109.5° |
| C16 | C17 | H172 | 109.3° | 109.4° |
| C17 | N18 | C19 | 119.9° | 120.0° |
| C17 | N18 | H181 | 106.8° | 120.0° |
| N18 | C17 | H171 | 109.3° | 109.5° |
| N18 | C17 | H172 | 109.3° | 109.5° |
| N18 | C19 | N20 | 116.1° | 120.0° |
| N18 | C19 | C26 | 120.8° | 120.0° |
| C19 | N18 | H181 | 106.8° | 120.0° |
| C21 | N20 | C19 | 123.2° | 120.0° |
| N20 | C21 | C22 | 108.4° | 109.5° |
| C21 | N20 | H201 | 105.9° | 120.0° |
| N20 | C21 | H212 | 109.8° | 109.5° |
| N20 | C21 | H211 | 109.7° | 109.5° |
| N20 | C19 | C26 | 123.1° | 120.0° |
| C19 | N20 | H201 | 106.0° | 120.0° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C22 | C21 | H212 | 109.8° | 109.4° |
| C22 | C21 | H211 | 109.7° | 109.4° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.5° |
| C22 | C23 | O24 | 120.6° | 120.0° |
| C22 | C23 | O25 | 118.5° | 120.0° |
| C23 | C22 | H221 | 109.6° | 109.5° |
| C23 | C22 | H222 | 109.6° | 109.5° |
| O24 | C23 | O25 | 120.9° | 120.0° |
| C23 | O25 | H1 | 109.5° | 117.0° |
| C32 | C31 | N30 | 120.0° | 119.0° |
| C32 | C31 | N41 | 117.3° | 119.0° |
| C31 | C32 | C40 | 117.1° | 120.5° |
| C31 | C32 | C33 | 122.4° | 120.5° |
| N30 | C31 | N41 | 122.7° | 122.0° |
| C31 | N30 | C13 | 119.5° | 120.8° |
| C31 | N41 | C42 | 120.7° | 121.1° |
| C40 | C32 | C33 | 120.6° | 119.0° |
| C32 | C40 | C39 | 118.8° | 118.4° |
| C32 | C40 | H401 | 120.6° | 120.8° |
| C32 | C33 | N34 | 118.6° | 120.7° |
| C32 | C33 | H331 | 120.7° | 119.6° |
| C38 | C37 | O36 | 109.3° | 109.5° |
| C37 | C38 | H383 | 109.5° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.4° |
| C37 | C38 | H382 | 109.4° | 109.5° |
| C38 | C37 | H372 | 109.5° | 109.5° |
| C38 | C37 | H371 | 109.5° | 109.4° |
| C40 | C39 | C35 | 118.2° | 119.3° |
| C39 | C40 | H401 | 120.6° | 120.8° |
| C40 | C39 | H391 | 120.9° | 120.4° |
| N41 | C42 | H421 | 120.9° | 120.5° |
| C01 | C02 | C03 | 111.1° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.1° | 109.4° |
| C01 | C02 | H021 | 109.1° | 109.5° |
| C02 | C03 | C04 | 111.4° | 109.5° |
| C02 | C03 | N10 | 110.6° | 109.5° |
| C03 | C02 | H022 | 109.1° | 109.5° |
| C03 | C02 | H021 | 109.1° | 109.5° |
| C02 | C03 | H031 | 108.9° | 109.5° |
| C04 | C03 | N10 | 107.0° | 109.5° |
| C03 | C04 | C05 | 119.7° | 120.0° |
| C03 | C04 | C09 | 119.3° | 120.0° |
| C04 | C03 | H031 | 109.1° | 109.5° |
| N10 | C03 | H031 | 109.8° | 109.5° |
| C03 | N10 | H101 | 120.7° | 120.0° |
| C05 | C04 | C09 | 120.9° | 120.0° |
| C04 | C05 | C06 | 119.0° | 120.0° |
| C04 | C05 | H051 | 120.5° | 120.0° |
| C04 | C09 | C08 | 119.8° | 120.0° |
| C04 | C09 | H091 | 120.1° | 120.0° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C06 | C05 | H051 | 120.5° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C06 | C07 | C08 | 119.5° | 120.0° |
| C07 | C06 | H061 | 120.0° | 120.0° |
| C06 | C07 | H071 | 120.2° | 120.0° |
| C07 | C08 | C09 | 120.7° | 120.0° |
| C08 | C07 | H071 | 120.2° | 120.0° |
| C07 | C08 | H081 | 119.7° | 120.0° |
| C09 | C08 | H081 | 119.7° | 120.0° |
| C08 | C09 | H091 | 120.1° | 119.9° |
| N14 | C13 | N30 | 118.1° | 120.6° |
| C13 | N14 | H141 | 107.3° | 120.0° |
| C19 | C26 | N27 | 122.4° | 120.0° |
| C19 | C26 | H261 | 118.8° | 120.0° |
| C26 | N27 | O28 | 119.4° | 120.0° |
| C26 | N27 | O29 | 119.9° | 120.0° |
| N27 | C26 | H261 | 118.8° | 120.0° |
| O28 | N27 | O29 | 120.7° | 120.0° |
| C33 | N34 | C35 | 122.4° | 121.8° |
| N34 | C33 | H331 | 120.7° | 119.7° |
| N34 | C35 | O36 | 120.9° | 119.5° |
| N34 | C35 | C39 | 121.3° | 120.9° |
| O36 | C35 | C39 | 117.8° | 119.6° |
| C35 | O36 | C37 | 116.8° | 117.0° |
| C35 | C39 | H391 | 120.9° | 120.3° |
| O36 | C37 | H372 | 109.5° | 109.5° |
| O36 | C37 | H371 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H383 | C38 | H381 | 109.4° | 109.5° |
| H383 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.6° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | N10 | O43 | 178.1° | 179.6° |
| C11 | C12 | C42 | C13 | 177.1° | 179.6° |
| C11 | C12 | C42 | N41 | 178.7° | 180.0° |
| C12 | C11 | N10 | C03 | 179.5° | 180.0° |
| C11 | C12 | C13 | N14 | 2.9° | 0.1° |
| C11 | C12 | C13 | N30 | 177.8° | 179.9° |
| C11 | C12 | C42 | H421 | 1.2° | 0.1° |
| C12 | C11 | N10 | H101 | 0.5° | 0.1° |
| N10 | C11 | C12 | C42 | 25.3° | 5.4° |
| N10 | C11 | C12 | C13 | 151.7° | 174.3° |
| C11 | N10 | C03 | C02 | 155.5° | 85.0° |
| C11 | N10 | C03 | C04 | 83.0° | 154.9° |
| C11 | N10 | C03 | H101 | 180.0° | 179.9° |
| C11 | N10 | C03 | H031 | 35.3° | 35.0° |
| O43 | C11 | C12 | C42 | 156.7° | 174.3° |
| O43 | C11 | C12 | C13 | 26.3° | 6.1° |
| O43 | C11 | N10 | C03 | 1.4° | 0.4° |
| O43 | C11 | N10 | H101 | 178.6° | 179.7° |
| C12 | C42 | N41 | C31 | 2.4° | 0.1° |
| C12 | C42 | N41 | H421 | 180.0° | 179.9° |
| C42 | C12 | C13 | N14 | 179.9° | 179.7° |
| C42 | C12 | C13 | N30 | 0.8° | 0.3° |
| C12 | C13 | N14 | C15 | 144.5° | 174.7° |
| C12 | C13 | N30 | C31 | 0.8° | 0.0° |
| C13 | C12 | C42 | N41 | 1.6° | 0.4° |
| C12 | C13 | N14 | N30 | 179.3° | 179.9° |
| C13 | C12 | C42 | H421 | 178.4° | 179.7° |
| C12 | C13 | N14 | H141 | 94.3° | 5.3° |
| C16 | C15 | N14 | H151 | 119.7° | 120.0° |
| C16 | C15 | N14 | H152 | 119.7° | 120.0° |
| C15 | C16 | C17 | H162 | 120.4° | 120.0° |
| C15 | C16 | C17 | H161 | 120.5° | 120.0° |
| C15 | C16 | C17 | N18 | 96.1° | 180.0° |
| C16 | C15 | N14 | C13 | 91.0° | 180.0° |
| C16 | C15 | H151 | H152 | 120.8° | 120.0° |
| C15 | C16 | H162 | H161 | 118.6° | 120.0° |
| C15 | C16 | C17 | H171 | 24.0° | 60.0° |
| C15 | C16 | C17 | H172 | 143.8° | 60.1° |
| C16 | C15 | N14 | H141 | 30.2° | 0.0° |
| N14 | C15 | C16 | C17 | 171.4° | 180.0° |
| C15 | N14 | C13 | H141 | 121.2° | 180.0° |
| C15 | N14 | C13 | N30 | 34.8° | 5.4° |
| N14 | C15 | H151 | H152 | 120.8° | 120.0° |
| N14 | C15 | C16 | H162 | 50.9° | 60.0° |
| N14 | C15 | C16 | H161 | 68.2° | 60.0° |
| C16 | C17 | N18 | H171 | 120.1° | 120.1° |
| C16 | C17 | N18 | H172 | 120.1° | 120.0° |
| C16 | C17 | N18 | C19 | 175.7° | 175.0° |
| C17 | C16 | C15 | H151 | 51.7° | 60.0° |
| C17 | C16 | C15 | H152 | 68.9° | 60.0° |
| C17 | C16 | H162 | H161 | 118.6° | 120.0° |
| C16 | C17 | N18 | H181 | 54.2° | 4.9° |
| C16 | C17 | H171 | H172 | 119.7° | 120.0° |
| C17 | N18 | C19 | H181 | 121.5° | 179.9° |
| C17 | N18 | C19 | N20 | 0.8° | 94.4° |
| C17 | N18 | C19 | C26 | 179.7° | 85.6° |
| N18 | C17 | C16 | H162 | 143.5° | 60.0° |
| N18 | C17 | C16 | H161 | 24.4° | 60.0° |
| N18 | C17 | H171 | H172 | 119.6° | 120.0° |
| N18 | C19 | N20 | C21 | 179.2° | 4.9° |
| N18 | C19 | N20 | C26 | 179.5° | 180.0° |
| N18 | C19 | C26 | N27 | 0.6° | 5.8° |
| N18 | C19 | N20 | H201 | 58.9° | 175.0° |
| C19 | N18 | C17 | H171 | 64.2° | 64.9° |
| C19 | N18 | C17 | H172 | 55.6° | 55.1° |
| N18 | C19 | C26 | H261 | 179.4° | 174.2° |
| C21 | N20 | C19 | H201 | 121.9° | 180.0° |
| N20 | C21 | C22 | H212 | 119.9° | 120.0° |
| N20 | C21 | C22 | H211 | 119.8° | 120.0° |
| N20 | C21 | C22 | C23 | 164.5° | 180.0° |
| C21 | N20 | C19 | C26 | 0.3° | 175.1° |
| N20 | C21 | H212 | H211 | 120.5° | 120.1° |
| N20 | C21 | C22 | H221 | 75.6° | 60.0° |
| N20 | C21 | C22 | H222 | 44.6° | 60.0° |
| C19 | N20 | C21 | C22 | 103.1° | 175.1° |
| N20 | C19 | C26 | N27 | 179.9° | 174.2° |
| N20 | C19 | N18 | H181 | 122.3° | 85.7° |
| C19 | N20 | C21 | H212 | 16.7° | 65.0° |
| C19 | N20 | C21 | H211 | 137.0° | 55.2° |
| N20 | C19 | C26 | H261 | 0.1° | 5.8° |
| C21 | C22 | C23 | H221 | 119.9° | 120.0° |
| C21 | C22 | C23 | H222 | 119.9° | 120.0° |
| C21 | C22 | C23 | O24 | 144.4° | 0.0° |
| C21 | C22 | C23 | O25 | 33.7° | 180.0° |
| C22 | C21 | N20 | H201 | 18.8° | 5.0° |
| C22 | C21 | H212 | H211 | 120.5° | 119.9° |
| C21 | C22 | H221 | H222 | 120.2° | 120.0° |
| C22 | C23 | O24 | O25 | 178.1° | 179.9° |
| C23 | C22 | C21 | H212 | 44.6° | 60.0° |
| C23 | C22 | C21 | H211 | 75.7° | 60.0° |
| C23 | C22 | H221 | H222 | 120.2° | 120.0° |
| C22 | C23 | O25 | H1 | 178.1° | 180.0° |
| O24 | C23 | C22 | H221 | 24.5° | 120.0° |
| O24 | C23 | C22 | H222 | 95.7° | 120.0° |
| O24 | C23 | O25 | H1 | 0.0° | 0.0° |
| O25 | C23 | C22 | H221 | 153.7° | 60.0° |
| O25 | C23 | C22 | H222 | 86.2° | 59.9° |
| C32 | C31 | N30 | N41 | 178.1° | 179.7° |
| C31 | C32 | C40 | C33 | 179.9° | 179.7° |
| C31 | C32 | C40 | C39 | 179.5° | 180.0° |
| C32 | C31 | N41 | C42 | 179.3° | 179.9° |
| C32 | C31 | N30 | C13 | 179.8° | 180.0° |
| C31 | C32 | C33 | N34 | 179.2° | 179.9° |
| C31 | C32 | C40 | H401 | 0.5° | 0.1° |
| C31 | C32 | C33 | H331 | 0.8° | 0.0° |
| N30 | C31 | C32 | C40 | 173.6° | 180.0° |
| N30 | C31 | C32 | C33 | 6.3° | 0.3° |
| N30 | C31 | N41 | C42 | 2.5° | 0.2° |
| C31 | N30 | C13 | N14 | 179.9° | 180.0° |
| N41 | C31 | C32 | C40 | 8.2° | 0.2° |
| N41 | C31 | C32 | C33 | 171.9° | 179.5° |
| N41 | C31 | N30 | C13 | 1.7° | 0.3° |
| C31 | N41 | C42 | H421 | 177.5° | 180.0° |
| C32 | C40 | C39 | H401 | 180.0° | 179.9° |
| C40 | C32 | C33 | N34 | 0.9° | 0.2° |
| C32 | C40 | C39 | C35 | 0.1° | 0.1° |
| C40 | C32 | C33 | H331 | 179.1° | 179.7° |
| C32 | C40 | C39 | H391 | 179.9° | 179.9° |
| C33 | C32 | C40 | C39 | 0.6° | 0.3° |
| C32 | C33 | N34 | H331 | 180.0° | 180.0° |
| C32 | C33 | N34 | C35 | 0.5° | 0.1° |
| C33 | C32 | C40 | H401 | 179.4° | 179.8° |
| C38 | C37 | O36 | C35 | 69.5° | 179.9° |
| C38 | C37 | O36 | H372 | 120.0° | 120.0° |
| C38 | C37 | O36 | H371 | 120.0° | 120.0° |
| C37 | C38 | H383 | H381 | 120.0° | 119.9° |
| C37 | C38 | H383 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.0° |
| C38 | C37 | H372 | H371 | 120.1° | 120.0° |
| C40 | C39 | C35 | N34 | 0.5° | 0.2° |
| C40 | C39 | C35 | O36 | 179.4° | 180.0° |
| C40 | C39 | C35 | H391 | 180.0° | 180.0° |
| C01 | C02 | C03 | H022 | 120.2° | 120.0° |
| C01 | C02 | C03 | H021 | 120.3° | 120.0° |
| C01 | C02 | C03 | C04 | 171.9° | 175.0° |
| C01 | C02 | C03 | N10 | 53.0° | 65.0° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C01 | C02 | H022 | H021 | 119.3° | 120.0° |
| C01 | C02 | C03 | H031 | 67.7° | 55.0° |
| C02 | C03 | C04 | N10 | 121.0° | 120.0° |
| C02 | C03 | C04 | H031 | 120.3° | 120.0° |
| C02 | C03 | N10 | H031 | 120.2° | 120.0° |
| C02 | C03 | C04 | C05 | 81.7° | 100.0° |
| C02 | C03 | C04 | C09 | 99.1° | 80.3° |
| C03 | C02 | C01 | H011 | 180.0° | 59.9° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 179.9° |
| C03 | C02 | H022 | H021 | 119.3° | 120.0° |
| C02 | C03 | N10 | H101 | 24.5° | 95.1° |
| C04 | C03 | N10 | H031 | 118.2° | 120.0° |
| C03 | C04 | C05 | C09 | 179.1° | 179.7° |
| C03 | C04 | C05 | C06 | 179.2° | 180.0° |
| C03 | C04 | C09 | C08 | 179.8° | 179.8° |
| C04 | C03 | C02 | H022 | 51.7° | 65.0° |
| C04 | C03 | C02 | H021 | 67.8° | 55.0° |
| C03 | C04 | C05 | H051 | 0.8° | 0.1° |
| C03 | C04 | C09 | H091 | 0.2° | 0.0° |
| C04 | C03 | N10 | H101 | 97.1° | 25.0° |
| N10 | C03 | C04 | C05 | 39.3° | 140.0° |
| N10 | C03 | C04 | C09 | 139.8° | 39.7° |
| N10 | C03 | C02 | H022 | 67.2° | 55.0° |
| N10 | C03 | C02 | H021 | 173.3° | 175.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.5° | 0.1° |
| C05 | C04 | C09 | C08 | 0.7° | 0.5° |
| C05 | C04 | C03 | H031 | 158.0° | 20.0° |
| C04 | C05 | C06 | H061 | 179.5° | 180.0° |
| C05 | C04 | C09 | H091 | 179.3° | 179.7° |
| C09 | C04 | C05 | C06 | 0.1° | 0.3° |
| C04 | C09 | C08 | C07 | 0.6° | 0.5° |
| C04 | C09 | C08 | H091 | 180.0° | 179.7° |
| C09 | C04 | C03 | H031 | 21.1° | 159.7° |
| C09 | C04 | C05 | H051 | 179.9° | 179.8° |
| C04 | C09 | C08 | H081 | 179.4° | 179.8° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C05 | C06 | C07 | H071 | 179.4° | 180.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.0° | 0.3° |
| C07 | C06 | C05 | H051 | 179.5° | 180.0° |
| C06 | C07 | C08 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.7° |
| C08 | C07 | C06 | H061 | 179.4° | 180.0° |
| C07 | C08 | C09 | H091 | 179.4° | 179.8° |
| C09 | C08 | C07 | H071 | 180.0° | 179.8° |
| C13 | N14 | C15 | H151 | 149.3° | 60.0° |
| C13 | N14 | C15 | H152 | 28.7° | 60.0° |
| N30 | C13 | N14 | H141 | 86.4° | 174.6° |
| C19 | C26 | N27 | H261 | 180.0° | 179.9° |
| C19 | C26 | N27 | O28 | 7.3° | 5.5° |
| C19 | C26 | N27 | O29 | 173.2° | 174.6° |
| C26 | C19 | N18 | H181 | 58.2° | 94.3° |
| C26 | C19 | N20 | H201 | 121.6° | 5.0° |
| C26 | N27 | O28 | O29 | 179.5° | 179.9° |
| O28 | N27 | C26 | H261 | 172.7° | 174.6° |
| O29 | N27 | C26 | H261 | 6.8° | 5.3° |
| C33 | N34 | C35 | O36 | 179.1° | 179.9° |
| C33 | N34 | C35 | C39 | 0.2° | 0.3° |
| N34 | C35 | O36 | C39 | 178.9° | 179.8° |
| N34 | C35 | O36 | C37 | 125.6° | 0.0° |
| C35 | N34 | C33 | H331 | 179.5° | 180.0° |
| N34 | C35 | C39 | H391 | 179.6° | 179.8° |
| C35 | O36 | C37 | H372 | 50.4° | 60.1° |
| C35 | O36 | C37 | H371 | 170.5° | 60.0° |
| O36 | C35 | C39 | H391 | 0.6° | 0.0° |
| C39 | C35 | O36 | C37 | 55.5° | 179.8° |
| C35 | C39 | C40 | H401 | 179.9° | 180.0° |
| O36 | C37 | C38 | H383 | 180.0° | 180.0° |
| O36 | C37 | C38 | H381 | 60.0° | 60.0° |
| O36 | C37 | C38 | H382 | 60.0° | 60.0° |
| O36 | C37 | H372 | H371 | 120.1° | 120.0° |
| H151 | C15 | C16 | H162 | 68.8° | 60.0° |
| H151 | C15 | C16 | H161 | 172.1° | 180.0° |
| H151 | C15 | N14 | H141 | 89.5° | 120.0° |
| H152 | C15 | C16 | H162 | 170.7° | 180.0° |
| H152 | C15 | C16 | H161 | 51.6° | 60.0° |
| H152 | C15 | N14 | H141 | 150.0° | 120.0° |
| H162 | C16 | C17 | H171 | 96.4° | 180.0° |
| H162 | C16 | C17 | H172 | 23.4° | 60.0° |
| H161 | C16 | C17 | H171 | 144.5° | 60.0° |
| H161 | C16 | C17 | H172 | 95.7° | 180.0° |
| H181 | N18 | C17 | H171 | 174.3° | 115.1° |
| H181 | N18 | C17 | H172 | 65.9° | 124.9° |
| H201 | N20 | C21 | H212 | 138.6° | 115.0° |
| H201 | N20 | C21 | H211 | 101.1° | 124.9° |
| H212 | C21 | C22 | H221 | 164.5° | 180.0° |
| H212 | C21 | C22 | H222 | 75.3° | 60.0° |
| H211 | C21 | C22 | H221 | 44.2° | 60.0° |
| H211 | C21 | C22 | H222 | 164.4° | 180.0° |
| H383 | C38 | H381 | H382 | 120.0° | 120.0° |
| H383 | C38 | C37 | H372 | 60.0° | 60.0° |
| H383 | C38 | C37 | H371 | 60.1° | 60.0° |
| H381 | C38 | C37 | H372 | 60.0° | 60.0° |
| H381 | C38 | C37 | H371 | 180.0° | 180.0° |
| H382 | C38 | C37 | H372 | 180.0° | 180.0° |
| H382 | C38 | C37 | H371 | 60.0° | 60.0° |
| H401 | C40 | C39 | H391 | 0.1° | 0.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.1° |
| H011 | C01 | C02 | H022 | 59.7° | 60.0° |
| H011 | C01 | C02 | H021 | 59.7° | 179.9° |
| H013 | C01 | C02 | H022 | 60.3° | 180.0° |
| H013 | C01 | C02 | H021 | 179.7° | 60.0° |
| H012 | C01 | C02 | H022 | 179.8° | 60.1° |
| H012 | C01 | C02 | H021 | 60.3° | 59.9° |
| H022 | C02 | C03 | H031 | 172.1° | 175.0° |
| H021 | C02 | C03 | H031 | 52.5° | 65.0° |
| H031 | C03 | N10 | H101 | 144.7° | 144.9° |
| H051 | C05 | C06 | H061 | 0.5° | 0.1° |
| H061 | C06 | C07 | H071 | 0.6° | 0.1° |
| H071 | C07 | C08 | H081 | 0.0° | 0.1° |
| H081 | C08 | C09 | H091 | 0.6° | 0.0° |
