A1ALF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C06 | sing | 1.54Å | 1.34Å | |
| C02 | N03 | sing | 1.47Å | 1.57Å | |
| C02 | O01 | sing | 1.43Å | 1.46Å | |
| C04 | C05 | sing | 1.55Å | 1.36Å | |
| C04 | N03 | sing | 1.48Å | 1.55Å | |
| C05 | C06 | sing | 1.55Å | 1.62Å | |
| C06 | C07 | sing | 1.53Å | 1.61Å | |
| C07 | C08 | sing | 1.53Å | 1.60Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C08 | N11 | sing | 1.47Å | 1.41Å | |
| C09 | N10 | sing | 1.47Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | N11 | sing | 1.35Å | 1.50Å | |
| C12 | O36 | doub | 1.21Å | 1.21Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | N18 | sing | 1.46Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.60Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C19 | C20 | sing | 1.48Å | 1.57Å | |
| C19 | N18 | sing | 1.35Å | 1.48Å | |
| C19 | O35 | doub | 1.22Å | 1.18Å | |
| C20 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C20 | C34 | sing | 1.40Å | 1.45Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.46Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.55Å | |
| C23 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.44Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | O28 | sing | 1.43Å | 1.46Å | |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | 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 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | 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 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 1.01Å | 1.00Å | |
| N10 | H2 | sing | 1.01Å | 1.00Å | |
| N10 | H102 | 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 | 107.4° | 107.2° |
| C06 | C02 | O01 | 111.4° | 109.8° |
| C02 | C06 | C05 | 107.6° | 103.0° |
| C02 | C06 | C07 | 111.7° | 110.7° |
| C06 | C02 | H021 | 110.2° | 109.9° |
| C02 | C06 | H061 | 111.2° | 110.7° |
| N03 | C02 | O01 | 112.1° | 109.9° |
| C02 | N03 | C04 | 104.0° | 108.6° |
| N03 | C02 | H021 | 107.2° | 109.9° |
| C02 | N03 | H031 | 110.8° | 111.0° |
| O01 | C02 | H021 | 108.5° | 110.1° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C05 | C04 | N03 | 105.5° | 104.8° |
| C04 | C05 | C06 | 108.2° | 101.7° |
| C05 | C04 | H042 | 110.5° | 110.4° |
| C05 | C04 | H041 | 110.4° | 110.4° |
| C04 | C05 | H051 | 109.8° | 111.0° |
| C04 | C05 | H052 | 109.8° | 111.0° |
| N03 | C04 | H042 | 110.5° | 110.3° |
| N03 | C04 | H041 | 110.4° | 110.3° |
| C04 | N03 | H031 | 110.8° | 111.0° |
| C05 | C06 | C07 | 111.2° | 110.7° |
| C06 | C05 | H051 | 109.8° | 111.0° |
| C06 | C05 | H052 | 109.8° | 111.0° |
| C05 | C06 | H061 | 107.5° | 110.7° |
| C06 | C07 | C08 | 112.5° | 109.4° |
| C07 | C06 | H061 | 107.6° | 110.8° |
| C06 | C07 | H072 | 108.7° | 109.5° |
| C06 | C07 | H071 | 108.7° | 109.5° |
| C07 | C08 | C09 | 110.3° | 109.5° |
| C07 | C08 | N11 | 108.9° | 109.4° |
| C08 | C07 | H072 | 108.7° | 109.4° |
| C08 | C07 | H071 | 108.7° | 109.5° |
| C07 | C08 | H081 | 108.4° | 109.5° |
| C09 | C08 | N11 | 109.0° | 109.5° |
| C08 | C09 | N10 | 111.2° | 109.5° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C08 | C09 | H092 | 109.0° | 109.5° |
| C08 | C09 | H091 | 109.0° | 109.5° |
| C08 | N11 | C12 | 122.3° | 120.0° |
| N11 | C08 | H081 | 111.0° | 109.4° |
| C08 | N11 | H111 | 118.8° | 120.0° |
| N10 | C09 | H092 | 109.0° | 109.5° |
| N10 | C09 | H091 | 109.0° | 109.5° |
| C09 | N10 | H2 | 109.5° | 111.0° |
| C09 | N10 | H102 | 109.5° | 111.0° |
| C13 | C12 | N11 | 117.3° | 120.0° |
| C13 | C12 | O36 | 121.0° | 120.0° |
| C12 | C13 | C14 | 110.3° | 109.5° |
| C12 | C13 | N18 | 113.2° | 109.5° |
| C12 | C13 | H131 | 107.7° | 109.5° |
| N11 | C12 | O36 | 121.7° | 120.0° |
| C12 | N11 | H111 | 118.8° | 120.0° |
| C14 | C13 | N18 | 108.7° | 109.5° |
| C13 | C14 | C15 | 109.6° | 109.4° |
| C14 | C13 | H131 | 108.3° | 109.5° |
| C13 | C14 | H142 | 109.4° | 109.4° |
| C13 | C14 | H141 | 109.4° | 109.5° |
| C13 | N18 | C19 | 122.1° | 120.0° |
| N18 | C13 | H131 | 108.6° | 109.5° |
| C13 | N18 | H181 | 118.9° | 120.0° |
| C14 | C15 | C16 | 111.5° | 109.5° |
| C14 | C15 | C17 | 111.4° | 109.5° |
| C14 | C15 | H151 | 106.0° | 109.5° |
| C15 | C14 | H142 | 109.4° | 109.5° |
| C15 | C14 | H141 | 109.4° | 109.5° |
| C16 | C15 | C17 | 113.8° | 109.5° |
| C16 | C15 | H151 | 106.5° | 109.4° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.4° |
| C17 | C15 | H151 | 107.1° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.4° | 109.5° |
| C15 | C17 | H173 | 109.5° | 109.5° |
| C20 | C19 | N18 | 119.0° | 120.1° |
| C20 | C19 | O35 | 121.2° | 120.0° |
| C19 | C20 | C21 | 122.4° | 120.0° |
| C19 | C20 | C34 | 117.7° | 120.0° |
| N18 | C19 | O35 | 119.7° | 120.0° |
| C19 | N18 | H181 | 118.9° | 120.0° |
| C21 | C20 | C34 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.9° | 119.9° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C20 | C34 | C33 | 120.5° | 120.0° |
| C20 | C34 | H341 | 119.8° | 120.0° |
| C21 | C22 | C23 | 120.3° | 120.0° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | H221 | 119.8° | 120.0° |
| C22 | C23 | C24 | 121.0° | 119.9° |
| C22 | C23 | C33 | 119.6° | 120.1° |
| C23 | C22 | H221 | 119.9° | 120.0° |
| C24 | C23 | C33 | 119.4° | 120.0° |
| C23 | C24 | C25 | 120.8° | 120.1° |
| C23 | C24 | C32 | 119.4° | 120.1° |
| C23 | C33 | C34 | 119.8° | 120.0° |
| C23 | C33 | H331 | 120.1° | 120.0° |
| C25 | C24 | C32 | 119.7° | 119.8° |
| C24 | C25 | C26 | 119.6° | 120.0° |
| C24 | C25 | H251 | 120.2° | 120.0° |
| C24 | C32 | C31 | 120.0° | 120.0° |
| C24 | C32 | H321 | 120.0° | 120.0° |
| C25 | C26 | C27 | 120.6° | 120.0° |
| C25 | C26 | H261 | 119.7° | 120.0° |
| C26 | C25 | H251 | 120.2° | 120.0° |
| C26 | C27 | C31 | 119.9° | 120.2° |
| C26 | C27 | O28 | 118.8° | 119.9° |
| C27 | C26 | H261 | 119.7° | 120.0° |
| C31 | C27 | O28 | 121.3° | 119.9° |
| C27 | C31 | C32 | 120.1° | 120.0° |
| C27 | C31 | H311 | 119.9° | 120.0° |
| C27 | O28 | C29 | 116.2° | 117.0° |
| C30 | C29 | O28 | 108.2° | 109.5° |
| C30 | C29 | H292 | 109.8° | 109.4° |
| C30 | C29 | H291 | 109.8° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.4° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| O28 | C29 | H292 | 109.8° | 109.4° |
| O28 | C29 | H291 | 109.8° | 109.5° |
| C32 | C31 | H311 | 120.0° | 120.0° |
| C31 | C32 | H321 | 120.0° | 120.0° |
| C34 | C33 | H331 | 120.1° | 120.0° |
| C33 | C34 | H341 | 119.7° | 120.1° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 110.4° |
| H051 | C05 | H052 | 109.5° | 110.9° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.4° |
| H303 | C30 | H302 | 109.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H2 | N10 | H102 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C02 | N03 | O01 | 122.7° | 119.3° |
| C06 | C02 | N03 | H021 | 118.4° | 119.4° |
| C06 | C02 | O01 | H021 | 121.5° | 121.1° |
| C02 | C06 | C05 | C04 | 8.1° | 35.7° |
| C06 | C02 | N03 | C04 | 22.4° | 1.0° |
| C02 | C06 | C05 | C07 | 122.7° | 118.3° |
| C02 | C06 | C05 | H061 | 119.9° | 118.4° |
| C02 | C06 | C07 | H061 | 122.3° | 123.2° |
| C02 | C06 | C07 | C08 | 170.6° | 174.0° |
| C02 | C06 | C05 | H051 | 127.9° | 153.7° |
| C02 | C06 | C05 | H052 | 111.7° | 82.5° |
| C02 | C06 | C07 | H072 | 69.0° | 66.1° |
| C02 | C06 | C07 | H071 | 50.1° | 54.0° |
| C06 | C02 | N03 | H031 | 141.6° | 123.3° |
| C06 | C02 | O01 | H011 | 180.0° | 180.0° |
| N03 | C02 | O01 | H021 | 118.1° | 121.2° |
| C02 | N03 | C04 | C05 | 27.3° | 24.1° |
| C02 | N03 | C04 | H031 | 119.1° | 122.2° |
| N03 | C02 | C06 | C05 | 9.7° | 22.3° |
| N03 | C02 | C06 | C07 | 112.6° | 140.6° |
| C02 | N03 | C04 | H042 | 146.7° | 143.0° |
| C02 | N03 | C04 | H041 | 92.1° | 94.7° |
| N03 | C02 | C06 | H061 | 127.2° | 96.1° |
| N03 | C02 | O01 | H011 | 59.6° | 62.3° |
| O01 | C02 | N03 | C04 | 145.1° | 120.4° |
| O01 | C02 | C06 | C05 | 132.8° | 97.1° |
| O01 | C02 | C06 | C07 | 10.5° | 21.3° |
| O01 | C02 | C06 | H061 | 109.7° | 144.5° |
| O01 | C02 | N03 | H031 | 95.8° | 117.4° |
| C05 | C04 | N03 | H042 | 119.4° | 118.8° |
| C05 | C04 | N03 | H041 | 119.3° | 118.9° |
| C04 | C05 | C06 | H051 | 119.8° | 118.1° |
| C04 | C05 | C06 | H052 | 119.8° | 118.1° |
| C04 | C05 | C06 | C07 | 130.7° | 154.0° |
| C05 | C04 | H042 | H041 | 121.8° | 122.4° |
| C04 | C05 | H051 | H052 | 120.6° | 123.8° |
| C04 | C05 | C06 | H061 | 111.8° | 82.7° |
| C05 | C04 | N03 | H031 | 146.4° | 146.3° |
| N03 | C04 | C05 | C06 | 21.9° | 37.1° |
| C04 | N03 | C02 | H021 | 96.0° | 118.4° |
| N03 | C04 | H042 | H041 | 121.8° | 122.3° |
| N03 | C04 | C05 | H051 | 141.7° | 155.2° |
| N03 | C04 | C05 | H052 | 97.9° | 81.0° |
| C05 | C06 | C07 | H061 | 117.4° | 123.3° |
| C05 | C06 | C07 | C08 | 69.2° | 72.5° |
| C05 | C06 | C02 | H021 | 106.7° | 141.7° |
| C06 | C05 | C04 | H042 | 141.3° | 155.9° |
| C06 | C05 | C04 | H041 | 97.4° | 81.7° |
| C06 | C05 | H051 | H052 | 120.6° | 123.9° |
| C05 | C06 | C07 | H072 | 51.3° | 47.4° |
| C05 | C06 | C07 | H071 | 170.4° | 167.5° |
| C06 | C07 | C08 | H072 | 120.4° | 119.9° |
| C06 | C07 | C08 | H071 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 168.7° | 175.6° |
| C06 | C07 | C08 | N11 | 71.7° | 64.4° |
| C07 | C06 | C02 | H021 | 131.0° | 99.9° |
| C07 | C06 | C05 | H051 | 109.5° | 87.9° |
| C07 | C06 | C05 | H052 | 11.0° | 35.9° |
| C06 | C07 | H072 | H071 | 118.6° | 120.1° |
| C06 | C07 | C08 | H081 | 49.2° | 55.6° |
| C07 | C08 | C09 | N11 | 119.6° | 120.0° |
| C07 | C08 | C09 | H081 | 119.1° | 120.0° |
| C07 | C08 | N11 | H081 | 119.3° | 120.0° |
| C07 | C08 | C09 | N10 | 102.2° | 175.0° |
| C07 | C08 | N11 | C12 | 112.6° | 144.4° |
| C08 | C07 | C06 | H061 | 48.2° | 50.8° |
| C08 | C07 | H072 | H071 | 118.6° | 120.0° |
| C07 | C08 | C09 | H092 | 18.0° | 65.0° |
| C07 | C08 | C09 | H091 | 137.6° | 55.0° |
| C07 | C08 | N11 | H111 | 67.4° | 35.7° |
| C09 | C08 | N11 | H081 | 120.2° | 120.0° |
| C08 | C09 | N10 | H092 | 120.2° | 120.0° |
| C08 | C09 | N10 | H091 | 120.3° | 120.0° |
| C09 | C08 | N11 | C12 | 127.0° | 95.6° |
| C09 | C08 | C07 | H072 | 48.3° | 55.7° |
| C09 | C08 | C07 | H071 | 70.8° | 64.4° |
| C08 | C09 | H092 | H091 | 119.2° | 120.0° |
| C08 | C09 | N10 | H2 | 180.0° | 180.0° |
| C08 | C09 | N10 | H102 | 60.0° | 56.0° |
| C09 | C08 | N11 | H111 | 53.0° | 84.3° |
| N11 | C08 | C09 | N10 | 138.2° | 55.0° |
| C08 | N11 | C12 | C13 | 179.6° | 180.0° |
| C08 | N11 | C12 | H111 | 180.0° | 179.9° |
| C08 | N11 | C12 | O36 | 0.4° | 0.0° |
| N11 | C08 | C07 | H072 | 167.9° | 175.7° |
| N11 | C08 | C07 | H071 | 48.7° | 55.7° |
| N11 | C08 | C09 | H092 | 101.5° | 175.0° |
| N11 | C08 | C09 | H091 | 18.0° | 65.0° |
| N10 | C09 | C08 | H081 | 16.9° | 65.0° |
| N10 | C09 | H092 | H091 | 119.2° | 120.0° |
| C09 | N10 | H2 | H102 | 120.0° | 124.0° |
| C13 | C12 | N11 | O36 | 180.0° | 180.0° |
| C12 | C13 | C14 | N18 | 124.6° | 120.0° |
| C12 | C13 | C14 | H131 | 117.6° | 120.0° |
| C12 | C13 | N18 | H131 | 119.5° | 120.0° |
| C12 | C13 | C14 | C15 | 173.0° | 175.0° |
| C12 | C13 | N18 | C19 | 48.3° | 155.0° |
| C12 | C13 | C14 | H142 | 67.0° | 65.0° |
| C12 | C13 | C14 | H141 | 53.0° | 55.0° |
| C13 | C12 | N11 | H111 | 0.4° | 0.0° |
| C12 | C13 | N18 | H181 | 131.7° | 25.0° |
| N11 | C12 | C13 | C14 | 110.7° | 60.0° |
| N11 | C12 | C13 | N18 | 127.4° | 180.0° |
| N11 | C12 | C13 | H131 | 7.3° | 60.0° |
| C12 | N11 | C08 | H081 | 6.7° | 24.5° |
| O36 | C12 | C13 | C14 | 69.3° | 120.0° |
| O36 | C12 | C13 | N18 | 52.7° | 0.0° |
| O36 | C12 | C13 | H131 | 172.7° | 120.0° |
| O36 | C12 | N11 | H111 | 179.6° | 179.9° |
| C14 | C13 | N18 | H131 | 117.6° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 119.9° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | C16 | 55.2° | 175.0° |
| C13 | C14 | C15 | C17 | 176.4° | 65.0° |
| C14 | C13 | N18 | C19 | 171.2° | 85.0° |
| C13 | C14 | C15 | H151 | 60.3° | 55.0° |
| C13 | C14 | H142 | H141 | 119.9° | 120.0° |
| C14 | C13 | N18 | H181 | 8.8° | 95.0° |
| N18 | C13 | C14 | C15 | 62.4° | 65.0° |
| C13 | N18 | C19 | C20 | 178.0° | 180.0° |
| C13 | N18 | C19 | H181 | 180.0° | 180.0° |
| C13 | N18 | C19 | O35 | 0.6° | 0.0° |
| N18 | C13 | C14 | H142 | 57.6° | 54.9° |
| N18 | C13 | C14 | H141 | 177.6° | 175.0° |
| C14 | C15 | C16 | C17 | 127.1° | 120.0° |
| C14 | C15 | C16 | H151 | 115.2° | 120.0° |
| C14 | C15 | C17 | H151 | 115.5° | 120.0° |
| C15 | C14 | C13 | H131 | 55.5° | 55.0° |
| C14 | C15 | C17 | H172 | 180.0° | 60.0° |
| C14 | C15 | C17 | H171 | 60.0° | 60.0° |
| C14 | C15 | C17 | H173 | 60.0° | 180.0° |
| C15 | C14 | H142 | H141 | 120.0° | 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 | 117.4° | 120.0° |
| C16 | C15 | C17 | H172 | 52.9° | 60.0° |
| C16 | C15 | C17 | H171 | 172.9° | 180.0° |
| C16 | C15 | C17 | H173 | 67.1° | 60.0° |
| C16 | C15 | C14 | H142 | 175.2° | 55.0° |
| C16 | C15 | C14 | H141 | 64.8° | 65.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H173 | 120.0° | 120.0° |
| C15 | C17 | H171 | H173 | 120.0° | 120.0° |
| C17 | C15 | C14 | H142 | 56.4° | 175.0° |
| C17 | C15 | C14 | H141 | 63.6° | 55.0° |
| C17 | C15 | C16 | H162 | 52.9° | 60.0° |
| C17 | C15 | C16 | H163 | 67.1° | 180.0° |
| C17 | C15 | C16 | H161 | 172.9° | 60.0° |
| C20 | C19 | N18 | O35 | 177.5° | 180.0° |
| C19 | C20 | C21 | C34 | 178.0° | 179.7° |
| C19 | C20 | C21 | C22 | 178.8° | 179.7° |
| C19 | C20 | C34 | C33 | 179.1° | 179.7° |
| C19 | C20 | C21 | H211 | 1.2° | 0.3° |
| C19 | C20 | C34 | H341 | 0.9° | 0.3° |
| C20 | C19 | N18 | H181 | 2.0° | 0.1° |
| N18 | C19 | C20 | C21 | 145.1° | 180.0° |
| N18 | C19 | C20 | C34 | 36.9° | 0.3° |
| C19 | N18 | C13 | H131 | 71.2° | 35.0° |
| O35 | C19 | C20 | C21 | 37.5° | 0.0° |
| O35 | C19 | C20 | C34 | 140.6° | 179.7° |
| O35 | C19 | N18 | H181 | 179.4° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C20 | C34 | C33 | 1.0° | 0.0° |
| C20 | C21 | C22 | H221 | 179.8° | 179.9° |
| C21 | C20 | C34 | H341 | 179.0° | 180.0° |
| C34 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C34 | C33 | C23 | 0.3° | 0.0° |
| C20 | C34 | C33 | H341 | 180.0° | 180.0° |
| C34 | C20 | C21 | H211 | 179.3° | 179.9° |
| C20 | C34 | C33 | H331 | 179.7° | 180.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.5° | 180.0° |
| C21 | C22 | C23 | C33 | 0.9° | 0.0° |
| C22 | C23 | C24 | C33 | 178.7° | 180.0° |
| C22 | C23 | C24 | C25 | 143.2° | 180.0° |
| C22 | C23 | C24 | C32 | 38.1° | 0.2° |
| C22 | C23 | C33 | C34 | 0.6° | 0.0° |
| C23 | C22 | C21 | H211 | 179.8° | 180.0° |
| C22 | C23 | C33 | H331 | 179.4° | 180.0° |
| C23 | C24 | C25 | C32 | 178.7° | 179.7° |
| C23 | C24 | C25 | C26 | 179.5° | 179.8° |
| C23 | C24 | C32 | C31 | 179.9° | 179.7° |
| C24 | C23 | C33 | C34 | 179.3° | 180.0° |
| C24 | C23 | C22 | H221 | 0.5° | 0.1° |
| C23 | C24 | C25 | H251 | 0.5° | 0.3° |
| C23 | C24 | C32 | H321 | 0.2° | 0.2° |
| C24 | C23 | C33 | H331 | 0.7° | 0.0° |
| C33 | C23 | C24 | C25 | 38.1° | 0.0° |
| C33 | C23 | C24 | C32 | 140.6° | 179.8° |
| C23 | C33 | C34 | H331 | 180.0° | 180.0° |
| C33 | C23 | C22 | H221 | 179.2° | 179.9° |
| C23 | C33 | C34 | H341 | 179.7° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | C32 | C31 | 1.2° | 0.0° |
| C24 | C25 | C26 | H261 | 179.7° | 179.9° |
| C25 | C24 | C32 | H321 | 178.8° | 179.9° |
| C32 | C24 | C25 | C26 | 0.9° | 0.0° |
| C24 | C32 | C31 | C27 | 0.8° | 0.0° |
| C24 | C32 | C31 | H321 | 180.0° | 179.9° |
| C32 | C24 | C25 | H251 | 179.2° | 179.9° |
| C24 | C32 | C31 | H311 | 179.1° | 180.0° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C31 | 0.1° | 0.0° |
| C25 | C26 | C27 | O28 | 179.8° | 180.0° |
| C26 | C27 | C31 | O28 | 179.9° | 179.9° |
| C26 | C27 | O28 | C29 | 152.3° | 180.0° |
| C26 | C27 | C31 | C32 | 0.2° | 0.0° |
| C27 | C26 | C25 | H251 | 179.8° | 179.9° |
| C26 | C27 | C31 | H311 | 179.8° | 180.0° |
| C31 | C27 | O28 | C29 | 27.8° | 0.1° |
| C27 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C27 | C26 | H261 | 179.9° | 180.0° |
| C27 | C31 | C32 | H321 | 179.2° | 179.9° |
| C27 | O28 | C29 | C30 | 111.9° | 180.0° |
| O28 | C27 | C31 | C32 | 179.9° | 179.9° |
| O28 | C27 | C26 | H261 | 0.2° | 0.0° |
| C27 | O28 | C29 | H292 | 7.8° | 60.1° |
| C27 | O28 | C29 | H291 | 128.2° | 59.9° |
| O28 | C27 | C31 | H311 | 0.1° | 0.1° |
| C30 | C29 | O28 | H292 | 119.8° | 119.9° |
| C30 | C29 | O28 | H291 | 119.8° | 120.0° |
| C30 | C29 | H292 | H291 | 120.6° | 120.0° |
| C29 | C30 | H303 | H301 | 120.0° | 120.0° |
| C29 | C30 | H303 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| O28 | C29 | H292 | H291 | 120.6° | 120.0° |
| O28 | C29 | C30 | H303 | 180.0° | 60.0° |
| O28 | C29 | C30 | H301 | 60.0° | 60.0° |
| O28 | C29 | C30 | H302 | 60.0° | 180.0° |
| H131 | C13 | C14 | H142 | 175.5° | 174.9° |
| H131 | C13 | C14 | H141 | 64.6° | 65.0° |
| H131 | C13 | N18 | H181 | 108.8° | 145.0° |
| H151 | C15 | C17 | H172 | 64.5° | 180.0° |
| H151 | C15 | C17 | H171 | 55.5° | 60.0° |
| H151 | C15 | C17 | H173 | 175.5° | 60.0° |
| H151 | C15 | C14 | H142 | 59.7° | 64.9° |
| H151 | C15 | C14 | H141 | 179.7° | 175.0° |
| H151 | C15 | C16 | H162 | 64.8° | 60.0° |
| H151 | C15 | C16 | H163 | 175.2° | 60.0° |
| H151 | C15 | C16 | H161 | 55.2° | NaN° |
| H172 | C17 | H171 | H173 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.2° | 0.1° |
| H261 | C26 | C25 | H251 | 0.2° | 0.1° |
| H021 | C02 | C06 | H061 | 10.8° | 23.3° |
| H021 | C02 | N03 | H031 | 23.2° | 3.9° |
| H021 | C02 | O01 | H011 | 58.5° | 58.8° |
| H042 | C04 | C05 | H051 | 98.9° | 86.0° |
| H042 | C04 | C05 | H052 | 21.5° | 37.7° |
| H042 | C04 | N03 | H031 | 94.2° | 94.8° |
| H041 | C04 | C05 | H051 | 22.4° | 36.4° |
| H041 | C04 | C05 | H052 | 142.8° | 160.1° |
| H041 | C04 | N03 | H031 | 27.1° | 27.5° |
| H051 | C05 | C06 | H061 | 8.0° | 35.4° |
| H052 | C05 | C06 | H061 | 128.4° | 159.2° |
| H061 | C06 | C07 | H072 | 168.6° | 170.7° |
| H061 | C06 | C07 | H071 | 72.3° | 69.2° |
| H072 | C07 | C08 | H081 | 71.2° | 64.4° |
| H071 | C07 | C08 | H081 | 169.7° | 175.6° |
| H081 | C08 | C09 | H092 | 137.1° | 55.0° |
| H081 | C08 | C09 | H091 | 103.4° | 175.0° |
| H081 | C08 | N11 | H111 | 173.3° | 155.6° |
| H092 | C09 | N10 | H2 | 59.7° | 60.0° |
| H092 | C09 | N10 | H102 | 179.8° | 176.0° |
| H091 | C09 | N10 | H2 | 59.8° | 60.0° |
| H091 | C09 | N10 | H102 | 60.2° | 64.0° |
| H162 | C16 | H163 | H161 | 120.0° | 120.0° |
| H292 | C29 | C30 | H303 | 60.2° | 60.0° |
| H292 | C29 | C30 | H301 | 59.8° | 180.0° |
| H292 | C29 | C30 | H302 | 179.8° | 60.0° |
| H291 | C29 | C30 | H303 | 60.1° | 180.0° |
| H291 | C29 | C30 | H301 | 179.8° | 60.0° |
| H291 | C29 | C30 | H302 | 59.8° | 60.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 0.9° | 0.1° |
| H331 | C33 | C34 | H341 | 0.3° | 0.0° |
