A1ALW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C06 | sing | 1.54Å | 1.38Å | |
| C02 | N03 | sing | 1.47Å | 1.65Å | |
| C02 | O01 | sing | 1.43Å | 1.36Å | |
| C04 | C05 | sing | 1.55Å | 1.61Å | |
| C04 | N03 | sing | 1.48Å | 1.32Å | |
| C05 | C06 | sing | 1.55Å | 1.57Å | |
| C06 | C07 | sing | 1.53Å | 1.63Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | N11 | sing | 1.47Å | 1.47Å | |
| C09 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | N11 | sing | 1.35Å | 1.49Å | |
| C12 | O34 | doub | 1.21Å | 1.19Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | N18 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.48Å | 1.55Å | |
| C19 | N18 | sing | 1.35Å | 1.47Å | |
| C19 | O33 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.55Å | |
| C23 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C30 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | N26 | sing | 1.32Å | 1.33Å | Aromatic |
| C27 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.36Å | |
| C27 | N26 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | 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 | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| N03 | H1 | sing | 1.01Å | 1.00Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å | |
| N10 | H2 | sing | 1.01Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C02 | N03 | 107.6° | 107.2° |
| C06 | C02 | O01 | 120.2° | 109.9° |
| C02 | C06 | C05 | 106.1° | 103.0° |
| C02 | C06 | C07 | 120.3° | 110.7° |
| C06 | C02 | H021 | 107.7° | 109.9° |
| C02 | C06 | H061 | 107.7° | 110.7° |
| N03 | C02 | O01 | 107.5° | 109.9° |
| C02 | N03 | C04 | 106.7° | 108.6° |
| N03 | C02 | H021 | 104.7° | 109.9° |
| C02 | N03 | H1 | 110.2° | 111.0° |
| O01 | C02 | H021 | 108.1° | 110.0° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C05 | C04 | N03 | 104.2° | 104.8° |
| C04 | C05 | C06 | 104.8° | 101.6° |
| C05 | C04 | H041 | 110.8° | 110.4° |
| C05 | C04 | H042 | 110.8° | 110.4° |
| C04 | C05 | H052 | 110.6° | 111.0° |
| C04 | C05 | H051 | 110.7° | 111.0° |
| N03 | C04 | H041 | 110.8° | 110.4° |
| N03 | C04 | H042 | 110.7° | 110.4° |
| C04 | N03 | H1 | 110.2° | 111.0° |
| C05 | C06 | C07 | 111.3° | 110.7° |
| C06 | C05 | H052 | 110.6° | 111.0° |
| C06 | C05 | H051 | 110.6° | 111.1° |
| C05 | C06 | H061 | 105.5° | 110.8° |
| C06 | C07 | C08 | 109.1° | 109.4° |
| C07 | C06 | H061 | 104.9° | 110.7° |
| C06 | C07 | H071 | 109.6° | 109.5° |
| C06 | C07 | H072 | 109.6° | 109.5° |
| C07 | C08 | C09 | 112.3° | 109.5° |
| C07 | C08 | N11 | 110.4° | 109.4° |
| C08 | C07 | H071 | 109.6° | 109.4° |
| C08 | C07 | H072 | 109.6° | 109.4° |
| C07 | C08 | H081 | 108.8° | 109.5° |
| C09 | C08 | N11 | 106.2° | 109.4° |
| C08 | C09 | N10 | 111.4° | 109.5° |
| C09 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | H092 | 109.0° | 109.4° |
| C08 | C09 | H091 | 109.0° | 109.4° |
| C08 | N11 | C12 | 120.7° | 120.0° |
| N11 | C08 | H081 | 110.1° | 109.5° |
| C08 | N11 | H111 | 119.6° | 120.1° |
| N10 | C09 | H092 | 109.0° | 109.5° |
| N10 | C09 | H091 | 109.0° | 109.5° |
| C09 | N10 | H102 | 109.5° | 110.9° |
| C09 | N10 | H2 | 109.4° | 111.0° |
| C13 | C12 | N11 | 118.2° | 120.0° |
| C13 | C12 | O34 | 121.4° | 120.0° |
| C12 | C13 | C14 | 110.6° | 109.5° |
| C12 | C13 | N18 | 112.6° | 109.5° |
| C12 | C13 | H131 | 108.8° | 109.5° |
| N11 | C12 | O34 | 120.3° | 120.0° |
| C12 | N11 | H111 | 119.6° | 120.0° |
| C14 | C13 | N18 | 106.0° | 109.5° |
| C13 | C14 | C15 | 111.1° | 109.4° |
| C14 | C13 | H131 | 108.7° | 109.4° |
| C13 | C14 | H141 | 109.1° | 109.5° |
| C13 | C14 | H142 | 109.0° | 109.5° |
| C13 | N18 | C19 | 119.3° | 120.0° |
| N18 | C13 | H131 | 110.1° | 109.5° |
| C13 | N18 | H181 | 120.3° | 120.0° |
| C14 | C15 | C16 | 110.6° | 109.4° |
| C14 | C15 | C17 | 108.6° | 109.5° |
| C14 | C15 | H151 | 109.3° | 109.5° |
| C15 | C14 | H141 | 109.0° | 109.5° |
| C15 | C14 | H142 | 109.0° | 109.5° |
| C16 | C15 | C17 | 109.6° | 109.5° |
| C16 | C15 | H151 | 109.1° | 109.4° |
| C15 | C16 | H162 | 109.5° | 109.4° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.4° |
| C17 | C15 | H151 | 109.6° | 109.5° |
| C15 | C17 | H173 | 109.5° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.5° | 109.5° |
| C20 | C19 | N18 | 119.5° | 120.0° |
| C20 | C19 | O33 | 122.4° | 120.0° |
| C19 | C20 | C21 | 121.7° | 120.1° |
| C19 | C20 | C32 | 117.2° | 120.0° |
| N18 | C19 | O33 | 118.0° | 120.0° |
| C19 | N18 | H181 | 120.4° | 120.0° |
| C21 | C20 | C32 | 121.0° | 119.9° |
| C20 | C21 | C22 | 117.8° | 120.0° |
| C20 | C21 | H211 | 121.1° | 120.0° |
| C20 | C32 | C31 | 121.1° | 120.0° |
| C20 | C32 | H321 | 119.5° | 120.0° |
| C21 | C22 | C23 | 121.3° | 120.1° |
| C22 | C21 | H211 | 121.1° | 120.0° |
| C21 | C22 | H221 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.2° | 120.0° |
| C22 | C23 | C31 | 120.8° | 120.0° |
| C23 | C22 | H221 | 119.3° | 120.0° |
| C24 | C23 | C31 | 119.0° | 120.0° |
| C23 | C24 | C25 | 117.6° | 120.5° |
| C23 | C24 | C30 | 121.6° | 120.5° |
| C23 | C31 | C32 | 118.0° | 120.1° |
| C23 | C31 | H311 | 120.9° | 120.0° |
| C25 | C24 | C30 | 120.6° | 119.0° |
| C24 | C25 | N26 | 121.8° | 120.6° |
| C24 | C25 | H251 | 119.1° | 119.7° |
| C24 | C30 | C29 | 116.2° | 118.4° |
| C24 | C30 | H301 | 121.9° | 120.8° |
| C25 | N26 | C27 | 118.9° | 121.8° |
| N26 | C25 | H251 | 119.1° | 119.7° |
| C29 | C27 | F28 | 119.4° | 119.5° |
| C29 | C27 | N26 | 123.5° | 121.0° |
| C27 | C29 | C30 | 118.9° | 119.3° |
| C27 | C29 | H291 | 120.6° | 120.4° |
| F28 | C27 | N26 | 117.1° | 119.5° |
| C30 | C29 | H291 | 120.6° | 120.4° |
| C29 | C30 | H301 | 121.9° | 120.8° |
| C32 | C31 | H311 | 121.0° | 120.0° |
| C31 | C32 | H321 | 119.5° | 120.0° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 110.4° |
| H052 | C05 | H051 | 109.5° | 110.9° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.4° | 109.5° |
| H102 | N10 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C02 | N03 | O01 | 130.8° | 119.4° |
| C06 | C02 | N03 | H021 | 114.5° | 119.4° |
| C06 | C02 | O01 | H021 | 124.1° | 121.1° |
| C02 | C06 | C05 | C04 | 11.4° | 35.7° |
| C06 | C02 | N03 | C04 | 26.9° | 1.0° |
| C02 | C06 | C05 | C07 | 132.6° | 118.3° |
| C02 | C06 | C05 | H061 | 114.1° | 118.4° |
| C02 | C06 | C07 | H061 | 121.3° | 123.2° |
| C02 | C06 | C07 | C08 | 162.9° | 175.1° |
| C02 | C06 | C05 | H052 | 130.7° | 153.8° |
| C02 | C06 | C05 | H051 | 107.8° | 82.4° |
| C02 | C06 | C07 | H071 | 77.2° | 65.0° |
| C02 | C06 | C07 | H072 | 42.9° | 55.1° |
| C06 | C02 | N03 | H1 | 146.5° | 123.3° |
| C06 | C02 | O01 | H011 | 180.0° | 179.9° |
| N03 | C02 | O01 | H021 | 112.5° | 121.2° |
| C02 | N03 | C04 | C05 | 32.3° | 24.1° |
| C02 | N03 | C04 | H1 | 119.6° | 122.3° |
| N03 | C02 | C06 | C05 | 6.6° | 22.3° |
| N03 | C02 | C06 | C07 | 120.9° | 140.7° |
| C02 | N03 | C04 | H041 | 151.4° | 142.9° |
| C02 | N03 | C04 | H042 | 86.9° | 94.7° |
| N03 | C02 | C06 | H061 | 119.2° | 96.1° |
| N03 | C02 | O01 | H011 | 56.7° | 62.2° |
| O01 | C02 | N03 | C04 | 157.7° | 120.4° |
| O01 | C02 | C06 | C05 | 129.8° | 97.1° |
| O01 | C02 | C06 | C07 | 2.4° | 21.3° |
| O01 | C02 | C06 | H061 | 117.6° | 144.5° |
| O01 | C02 | N03 | H1 | 82.7° | 117.3° |
| C05 | C04 | N03 | H041 | 119.1° | 118.8° |
| C05 | C04 | N03 | H042 | 119.2° | 118.8° |
| C04 | C05 | C06 | H052 | 119.2° | 118.1° |
| C04 | C05 | C06 | H051 | 119.3° | 118.1° |
| C04 | C05 | C06 | C07 | 144.0° | 154.0° |
| C05 | C04 | H041 | H042 | 122.5° | 122.3° |
| C04 | C05 | H052 | H051 | 122.2° | 123.9° |
| C04 | C05 | C06 | H061 | 102.7° | 82.7° |
| C05 | C04 | N03 | H1 | 151.8° | 146.4° |
| N03 | C04 | C05 | C06 | 28.9° | 37.1° |
| C04 | N03 | C02 | H021 | 87.6° | 118.4° |
| N03 | C04 | H041 | H042 | 122.4° | 122.3° |
| N03 | C04 | C05 | H052 | 148.2° | 155.1° |
| N03 | C04 | C05 | H051 | 90.3° | 81.1° |
| C05 | C06 | C07 | H061 | 113.6° | 123.3° |
| C05 | C06 | C07 | C08 | 72.1° | 71.3° |
| C05 | C06 | C02 | H021 | 105.9° | 141.7° |
| C06 | C05 | C04 | H041 | 148.1° | 155.9° |
| C06 | C05 | C04 | H042 | 90.2° | 81.7° |
| C06 | C05 | H052 | H051 | 122.1° | 123.9° |
| C05 | C06 | C07 | H071 | 47.8° | 48.6° |
| C05 | C06 | C07 | H072 | 168.0° | 168.7° |
| C06 | C07 | C08 | H071 | 119.9° | 119.9° |
| C06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C06 | C07 | C08 | C09 | 177.6° | 174.7° |
| C06 | C07 | C08 | N11 | 64.1° | 65.3° |
| C07 | C06 | C02 | H021 | 126.7° | 99.9° |
| C07 | C06 | C05 | H052 | 96.7° | 87.9° |
| C07 | C06 | C05 | H051 | 24.8° | 35.9° |
| C06 | C07 | H071 | H072 | 120.2° | 120.1° |
| C06 | C07 | C08 | H081 | 56.8° | 54.7° |
| C07 | C08 | C09 | N11 | 120.7° | 120.0° |
| C07 | C08 | C09 | H081 | 120.7° | 120.1° |
| C07 | C08 | N11 | H081 | 120.1° | 120.1° |
| C07 | C08 | C09 | N10 | 101.6° | 175.0° |
| C07 | C08 | N11 | C12 | 102.3° | 148.8° |
| C08 | C07 | C06 | H061 | 41.5° | 52.0° |
| C08 | C07 | H071 | H072 | 120.2° | 120.0° |
| C07 | C08 | C09 | H092 | 18.8° | 65.0° |
| C07 | C08 | C09 | H091 | 138.2° | 54.9° |
| C07 | C08 | N11 | H111 | 77.7° | 31.2° |
| C09 | C08 | N11 | H081 | 117.9° | 120.0° |
| C08 | C09 | N10 | H092 | 120.3° | 120.0° |
| C08 | C09 | N10 | H091 | 120.3° | 120.0° |
| C09 | C08 | N11 | C12 | 135.7° | 91.3° |
| C09 | C08 | C07 | H071 | 57.7° | 54.8° |
| C09 | C08 | C07 | H072 | 62.4° | 65.2° |
| C08 | C09 | H092 | H091 | 119.1° | 119.9° |
| C08 | C09 | N10 | H102 | 180.0° | 56.1° |
| C08 | C09 | N10 | H2 | 60.0° | 180.0° |
| C09 | C08 | N11 | H111 | 44.3° | 88.7° |
| N11 | C08 | C09 | N10 | 137.7° | 55.0° |
| C08 | N11 | C12 | C13 | 179.6° | 180.0° |
| C08 | N11 | C12 | H111 | 180.0° | 180.0° |
| C08 | N11 | C12 | O34 | 1.4° | 0.0° |
| N11 | C08 | C07 | H071 | 176.0° | 174.7° |
| N11 | C08 | C07 | H072 | 55.9° | 54.7° |
| N11 | C08 | C09 | H092 | 102.0° | 175.0° |
| N11 | C08 | C09 | H091 | 17.4° | 65.0° |
| N10 | C09 | C08 | H081 | 19.1° | 65.0° |
| N10 | C09 | H092 | H091 | 119.1° | 120.0° |
| C09 | N10 | H102 | H2 | 120.0° | 123.9° |
| C13 | C12 | N11 | O34 | 179.0° | 180.0° |
| C12 | C13 | C14 | N18 | 122.3° | 120.0° |
| C12 | C13 | C14 | H131 | 119.4° | 120.0° |
| C12 | C13 | N18 | H131 | 121.6° | 120.0° |
| C12 | C13 | C14 | C15 | 177.2° | 175.0° |
| C12 | C13 | N18 | C19 | 58.2° | 155.0° |
| C12 | C13 | C14 | H141 | 62.5° | 65.1° |
| C12 | C13 | C14 | H142 | 57.0° | 55.0° |
| C13 | C12 | N11 | H111 | 0.4° | 0.0° |
| C12 | C13 | N18 | H181 | 121.7° | 25.0° |
| N11 | C12 | C13 | C14 | 96.1° | 60.0° |
| N11 | C12 | C13 | N18 | 145.6° | 180.0° |
| N11 | C12 | C13 | H131 | 23.3° | 60.0° |
| C12 | N11 | C08 | H081 | 17.8° | 28.7° |
| O34 | C12 | C13 | C14 | 85.0° | 120.0° |
| O34 | C12 | C13 | N18 | 33.4° | 0.0° |
| O34 | C12 | C13 | H131 | 155.7° | 120.0° |
| O34 | C12 | N11 | H111 | 178.6° | 180.0° |
| C14 | C13 | N18 | H131 | 117.4° | 120.0° |
| C13 | C14 | C15 | H141 | 120.3° | 120.0° |
| C13 | C14 | C15 | H142 | 120.2° | 120.0° |
| C13 | C14 | C15 | C16 | 178.7° | 175.0° |
| C13 | C14 | C15 | C17 | 61.0° | 65.0° |
| C14 | C13 | N18 | C19 | 179.3° | 85.0° |
| C13 | C14 | C15 | H151 | 58.5° | 55.0° |
| C13 | C14 | H141 | H142 | 119.3° | 120.0° |
| C14 | C13 | N18 | H181 | 0.7° | 95.0° |
| N18 | C13 | C14 | C15 | 60.5° | 65.0° |
| C13 | N18 | C19 | C20 | 178.2° | 180.0° |
| C13 | N18 | C19 | H181 | 180.0° | 180.0° |
| C13 | N18 | C19 | O33 | 0.3° | 0.0° |
| N18 | C13 | C14 | H141 | 59.8° | 55.0° |
| N18 | C13 | C14 | H142 | 179.3° | 175.0° |
| C14 | C15 | C16 | C17 | 119.8° | 120.0° |
| C14 | C15 | C16 | H151 | 120.3° | 120.0° |
| C14 | C15 | C17 | H151 | 119.3° | 120.1° |
| C15 | C14 | C13 | H131 | 57.8° | 55.0° |
| C14 | C15 | C17 | H173 | 180.0° | 60.0° |
| C14 | C15 | C17 | H172 | 60.0° | 180.0° |
| C14 | C15 | C17 | H171 | 60.0° | 60.0° |
| C15 | C14 | H141 | H142 | 119.2° | 120.0° |
| C14 | C15 | C16 | H162 | 180.0° | 180.0° |
| C14 | C15 | C16 | H163 | 60.0° | 60.0° |
| C14 | C15 | C16 | H161 | 60.0° | 60.0° |
| C16 | C15 | C17 | H151 | 119.7° | 120.0° |
| C16 | C15 | C17 | H173 | 59.0° | 180.0° |
| C16 | C15 | C17 | H172 | 61.0° | 60.0° |
| C16 | C15 | C17 | H171 | 179.0° | 60.0° |
| C16 | C15 | C14 | H141 | 58.4° | 55.0° |
| C16 | C15 | C14 | H142 | 61.1° | 65.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 119.9° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C17 | H173 | H172 | 120.0° | 120.0° |
| C15 | C17 | H173 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| C17 | C15 | C14 | H141 | 178.8° | 175.0° |
| C17 | C15 | C14 | H142 | 59.3° | 55.0° |
| C17 | C15 | C16 | H162 | 60.2° | 60.0° |
| C17 | C15 | C16 | H163 | 179.7° | 180.0° |
| C17 | C15 | C16 | H161 | 59.8° | 60.0° |
| C20 | C19 | N18 | O33 | 177.9° | 180.0° |
| C19 | C20 | C21 | C32 | 177.7° | 179.8° |
| C19 | C20 | C21 | C22 | 178.6° | 179.8° |
| C19 | C20 | C32 | C31 | 178.1° | 179.7° |
| C19 | C20 | C21 | H211 | 1.5° | 0.2° |
| C19 | C20 | C32 | H321 | 1.9° | 0.2° |
| C20 | C19 | N18 | H181 | 1.8° | 0.0° |
| N18 | C19 | C20 | C21 | 141.7° | 180.0° |
| N18 | C19 | C20 | C32 | 40.5° | 0.3° |
| C19 | N18 | C13 | H131 | 63.4° | 35.0° |
| O33 | C19 | C20 | C21 | 40.5° | 0.0° |
| O33 | C19 | C20 | C32 | 137.3° | 179.7° |
| O33 | C19 | N18 | H181 | 179.7° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.1° |
| C21 | C20 | C32 | C31 | 0.4° | 0.0° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C21 | C20 | C32 | H321 | 179.6° | 180.0° |
| C32 | C20 | C21 | C22 | 0.9° | 0.0° |
| C20 | C32 | C31 | C23 | 0.8° | 0.0° |
| C20 | C32 | C31 | H321 | 180.0° | 180.0° |
| C32 | C20 | C21 | H211 | 179.1° | 180.0° |
| C20 | C32 | C31 | H311 | 179.2° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 178.3° | 180.0° |
| C21 | C22 | C23 | C31 | 1.0° | 0.1° |
| C22 | C23 | C24 | C31 | 177.3° | 180.0° |
| C22 | C23 | C24 | C25 | 25.4° | 0.0° |
| C22 | C23 | C24 | C30 | 158.5° | 179.7° |
| C22 | C23 | C31 | C32 | 1.5° | 0.0° |
| C23 | C22 | C21 | H211 | 179.8° | 179.9° |
| C22 | C23 | C31 | H311 | 178.5° | 179.9° |
| C23 | C24 | C25 | C30 | 176.1° | 179.7° |
| C23 | C24 | C25 | N26 | 179.9° | 179.8° |
| C23 | C24 | C30 | C29 | 178.4° | 179.8° |
| C24 | C23 | C31 | C32 | 178.8° | 180.0° |
| C24 | C23 | C22 | H221 | 1.7° | 0.1° |
| C23 | C24 | C25 | H251 | 0.1° | 0.3° |
| C23 | C24 | C30 | H301 | 1.6° | 0.3° |
| C24 | C23 | C31 | H311 | 1.2° | 0.0° |
| C31 | C23 | C24 | C25 | 151.9° | 180.0° |
| C31 | C23 | C24 | C30 | 24.2° | 0.3° |
| C23 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C23 | C22 | H221 | 179.0° | 180.0° |
| C23 | C31 | C32 | H321 | 179.2° | 180.0° |
| C24 | C25 | N26 | H251 | 180.0° | 179.9° |
| C24 | C25 | N26 | C27 | 2.7° | 0.1° |
| C25 | C24 | C30 | C29 | 2.5° | 0.1° |
| C25 | C24 | C30 | H301 | 177.5° | 180.0° |
| C30 | C24 | C25 | N26 | 3.8° | 0.1° |
| C24 | C30 | C29 | C27 | 0.3° | 0.1° |
| C24 | C30 | C29 | H301 | 180.0° | 179.9° |
| C30 | C24 | C25 | H251 | 176.2° | 180.0° |
| C24 | C30 | C29 | H291 | 179.6° | 180.0° |
| C25 | N26 | C27 | C29 | 0.4° | 0.1° |
| C25 | N26 | C27 | F28 | 178.3° | 180.0° |
| C29 | C27 | F28 | N26 | 178.8° | 179.9° |
| C27 | C29 | C30 | H291 | 180.0° | 180.0° |
| C27 | C29 | C30 | H301 | 179.7° | 180.0° |
| F28 | C27 | C29 | C30 | 179.4° | 180.0° |
| F28 | C27 | C29 | H291 | 0.6° | 0.0° |
| N26 | C27 | C29 | C30 | 0.7° | 0.1° |
| C27 | N26 | C25 | H251 | 177.3° | 180.0° |
| N26 | C27 | C29 | H291 | 179.3° | 179.9° |
| H131 | C13 | C14 | H141 | 178.1° | 174.9° |
| H131 | C13 | C14 | H142 | 62.4° | 65.0° |
| H131 | C13 | N18 | H181 | 116.7° | 145.0° |
| H151 | C15 | C17 | H173 | 60.7° | 60.0° |
| H151 | C15 | C17 | H172 | 179.3° | 60.0° |
| H151 | C15 | C17 | H171 | 59.3° | 179.9° |
| H151 | C15 | C14 | H141 | 61.7° | 64.9° |
| H151 | C15 | C14 | H142 | 178.8° | 175.0° |
| H151 | C15 | C16 | H162 | 59.7° | 60.0° |
| H151 | C15 | C16 | H163 | 60.3° | 60.0° |
| H151 | C15 | C16 | H161 | 179.8° | 180.0° |
| H173 | C17 | H172 | H171 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.2° | 0.0° |
| H021 | C02 | C06 | H061 | 6.7° | 23.3° |
| H021 | C02 | N03 | H1 | 32.0° | 3.9° |
| H021 | C02 | O01 | H011 | 55.8° | 59.0° |
| H041 | C04 | C05 | H052 | 92.7° | 86.0° |
| H041 | C04 | C05 | H051 | 28.8° | 37.8° |
| H041 | C04 | N03 | H1 | 89.0° | 94.8° |
| H042 | C04 | C05 | H052 | 29.0° | 36.3° |
| H042 | C04 | C05 | H051 | 150.6° | 160.1° |
| H042 | C04 | N03 | H1 | 32.7° | 27.6° |
| H052 | C05 | C06 | H061 | 16.5° | 35.3° |
| H051 | C05 | C06 | H061 | 138.0° | 159.1° |
| H061 | C06 | C07 | H071 | 161.4° | 171.9° |
| H061 | C06 | C07 | H072 | 78.4° | 68.0° |
| H071 | C07 | C08 | H081 | 63.1° | 65.2° |
| H072 | C07 | C08 | H081 | 176.8° | 174.7° |
| H081 | C08 | C09 | H092 | 139.5° | 55.1° |
| H081 | C08 | C09 | H091 | 101.1° | 175.0° |
| H081 | C08 | N11 | H111 | 162.2° | 151.3° |
| H092 | C09 | N10 | H102 | 59.7° | 63.9° |
| H092 | C09 | N10 | H2 | 179.7° | 60.0° |
| H091 | C09 | N10 | H102 | 59.7° | 176.1° |
| H091 | C09 | N10 | H2 | 60.3° | 60.0° |
| H162 | C16 | H163 | H161 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 0.4° | 0.1° |
| H311 | C31 | C32 | H321 | 0.8° | 0.1° |
