A1IYP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.55Å | 1.54Å | |
| C06 | C05 | sing | 1.54Å | 1.50Å | |
| N07 | C06 | sing | 1.48Å | 1.49Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N07 | sing | 1.47Å | 1.46Å | |
| C15 | N07 | sing | 1.49Å | 1.55Å | |
| C03 | N02 | sing | 1.46Å | 1.48Å | |
| S16 | N02 | sing | 1.66Å | 1.66Å | |
| O17 | S16 | doub | 1.42Å | 1.44Å | |
| O18 | S16 | doub | 1.42Å | 1.43Å | |
| C19 | S16 | sing | 1.76Å | 1.85Å | |
| C20 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C24 | C23 | doub | 1.36Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.46Å | Aromatic |
| C28 | C27 | doub | 1.41Å | 1.43Å | Aromatic |
| C04 | C15 | sing | 1.55Å | 1.54Å | |
| C09 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C28 | sing | 1.36Å | 1.38Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 111.3° | 120.0° |
| C01 | N02 | S16 | 118.7° | 120.0° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.4° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C03 | C04 | C05 | 112.9° | 110.7° |
| C04 | C03 | N02 | 114.6° | 109.5° |
| C03 | C04 | C15 | 108.5° | 110.7° |
| C04 | C03 | H032 | 108.2° | 109.5° |
| C04 | C03 | H031 | 108.2° | 109.4° |
| C03 | C04 | H041 | 110.1° | 110.6° |
| C04 | C05 | C06 | 104.7° | 105.1° |
| C05 | C04 | C15 | 105.1° | 103.0° |
| C05 | C04 | H041 | 110.0° | 110.9° |
| C04 | C05 | H051 | 110.7° | 110.3° |
| C04 | C05 | H052 | 110.6° | 110.3° |
| C05 | C06 | N07 | 101.9° | 107.0° |
| C06 | C05 | H051 | 110.7° | 110.3° |
| C06 | C05 | H052 | 110.6° | 110.4° |
| C05 | C06 | H061 | 111.3° | 109.9° |
| C05 | C06 | H062 | 111.4° | 109.9° |
| C06 | N07 | C08 | 107.6° | 110.9° |
| C06 | N07 | C15 | 103.6° | 105.8° |
| N07 | C06 | H061 | 111.3° | 109.9° |
| N07 | C06 | H062 | 111.3° | 110.0° |
| C08 | C09 | C10 | 118.7° | 120.0° |
| C09 | C08 | N07 | 107.1° | 109.5° |
| C08 | C09 | C14 | 119.0° | 120.0° |
| C09 | C08 | H081 | 110.1° | 109.5° |
| C09 | C08 | H082 | 110.1° | 109.5° |
| C09 | C10 | C11 | 118.9° | 120.0° |
| C10 | C09 | C14 | 122.3° | 120.0° |
| C09 | C10 | H101 | 120.5° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C11 | C10 | H101 | 120.5° | 120.0° |
| C10 | C11 | H111 | 120.3° | 120.0° |
| C11 | C12 | C13 | 120.9° | 120.0° |
| C12 | C11 | H111 | 120.3° | 120.0° |
| C11 | C12 | H121 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| C12 | C13 | H131 | 119.7° | 120.0° |
| C13 | C12 | H121 | 119.5° | 120.0° |
| C13 | C14 | C09 | 117.9° | 120.0° |
| C14 | C13 | H131 | 119.8° | 120.0° |
| C13 | C14 | H141 | 121.0° | 119.9° |
| C08 | N07 | C15 | 111.3° | 111.0° |
| N07 | C08 | H081 | 110.1° | 109.4° |
| N07 | C08 | H082 | 110.1° | 109.5° |
| N07 | C15 | C04 | 103.9° | 103.2° |
| N07 | C15 | H151 | 110.8° | 110.6° |
| N07 | C15 | H152 | 110.8° | 110.7° |
| C03 | N02 | S16 | 121.1° | 120.0° |
| N02 | C03 | H032 | 108.2° | 109.5° |
| N02 | C03 | H031 | 108.2° | 109.5° |
| N02 | S16 | O17 | 103.8° | 106.4° |
| N02 | S16 | O18 | 109.2° | 106.4° |
| N02 | S16 | C19 | 107.8° | 107.2° |
| O17 | S16 | O18 | 115.6° | 123.1° |
| O17 | S16 | C19 | 110.5° | 106.4° |
| O18 | S16 | C19 | 109.5° | 106.4° |
| S16 | C19 | C20 | 122.9° | 119.5° |
| S16 | C19 | C28 | 123.0° | 119.5° |
| C19 | C20 | C21 | 122.5° | 120.9° |
| C20 | C19 | C28 | 114.1° | 121.0° |
| C19 | C20 | H201 | 118.7° | 119.5° |
| C20 | C21 | C22 | 121.6° | 119.7° |
| C21 | C20 | H201 | 118.7° | 119.6° |
| C20 | C21 | H211 | 119.2° | 120.1° |
| C21 | C22 | C23 | 122.1° | 121.3° |
| C21 | C22 | C27 | 117.6° | 119.4° |
| C22 | C21 | H211 | 119.2° | 120.2° |
| C22 | C23 | C24 | 120.2° | 119.7° |
| C23 | C22 | C27 | 120.3° | 119.3° |
| C22 | C23 | H231 | 119.9° | 120.2° |
| C23 | C24 | C25 | 120.6° | 120.9° |
| C23 | C24 | H241 | 119.7° | 119.6° |
| C24 | C23 | H231 | 119.9° | 120.1° |
| C24 | C25 | C26 | 119.8° | 121.0° |
| C25 | C24 | H241 | 119.7° | 119.5° |
| C24 | C25 | H251 | 120.1° | 119.5° |
| C25 | C26 | C27 | 120.2° | 119.7° |
| C25 | C26 | H261 | 119.9° | 120.2° |
| C26 | C25 | H251 | 120.1° | 119.5° |
| C26 | C27 | C28 | 121.6° | 121.3° |
| C26 | C27 | C22 | 118.9° | 119.4° |
| C27 | C26 | H261 | 119.9° | 120.1° |
| C27 | C28 | C19 | 124.6° | 119.7° |
| C28 | C27 | C22 | 119.6° | 119.3° |
| C27 | C28 | H281 | 117.7° | 120.1° |
| C04 | C15 | H151 | 110.9° | 110.7° |
| C04 | C15 | H152 | 110.8° | 110.8° |
| C15 | C04 | H041 | 110.1° | 110.7° |
| C09 | C14 | H141 | 121.0° | 120.0° |
| C19 | C28 | H281 | 117.7° | 120.2° |
| H151 | C15 | H152 | 109.5° | 110.6° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.4° | 109.5° |
| H051 | C05 | H052 | 109.5° | 110.3° |
| H061 | C06 | H062 | 109.5° | 109.9° |
| H081 | C08 | H082 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 80.5° | 85.0° |
| C01 | N02 | C03 | S16 | 147.0° | 179.9° |
| C01 | N02 | S16 | O17 | 12.7° | 151.7° |
| C01 | N02 | S16 | O18 | 136.6° | 18.8° |
| C01 | N02 | S16 | C19 | 104.5° | 94.8° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 158.7° | 155.0° |
| C01 | N02 | C03 | H031 | 40.2° | 34.9° |
| C03 | C04 | C05 | C15 | 118.1° | 118.4° |
| C03 | C04 | C05 | H041 | 123.4° | 123.2° |
| C03 | C04 | C05 | C06 | 97.3° | 140.3° |
| C03 | C04 | C15 | N07 | 127.7° | 155.8° |
| C04 | C03 | N02 | H032 | 120.8° | 120.0° |
| C04 | C03 | N02 | H031 | 120.8° | 120.0° |
| C04 | C03 | N02 | S16 | 132.5° | 95.0° |
| C03 | C04 | C15 | H041 | 120.5° | 123.1° |
| C03 | C04 | C15 | H151 | 113.2° | 37.4° |
| C03 | C04 | C15 | H152 | 8.6° | 85.7° |
| C04 | C03 | H032 | H031 | 117.7° | 119.9° |
| C03 | C04 | C05 | H051 | 143.5° | 100.7° |
| C03 | C04 | C05 | H052 | 21.9° | 21.4° |
| C04 | C05 | C06 | H051 | 119.3° | 118.9° |
| C04 | C05 | C06 | H052 | 119.2° | 118.9° |
| C04 | C05 | C06 | N07 | 41.1° | 1.2° |
| C05 | C04 | C15 | N07 | 6.6° | 37.4° |
| C05 | C04 | C03 | N02 | 161.9° | 71.7° |
| C05 | C04 | C15 | H041 | 118.4° | 118.5° |
| C05 | C04 | C15 | H151 | 125.7° | 81.0° |
| C05 | C04 | C15 | H152 | 112.5° | 155.9° |
| C05 | C04 | C03 | H032 | 41.1° | 168.3° |
| C05 | C04 | C03 | H031 | 77.3° | 48.3° |
| C04 | C05 | H051 | H052 | 122.2° | 122.1° |
| C04 | C05 | C06 | H061 | 159.9° | 120.6° |
| C04 | C05 | C06 | H062 | 77.6° | 118.3° |
| C05 | C06 | N07 | H061 | 118.8° | 119.4° |
| C05 | C06 | N07 | H062 | 118.8° | 119.4° |
| C05 | C06 | N07 | C08 | 163.4° | 145.9° |
| C05 | C06 | N07 | C15 | 45.4° | 25.3° |
| C06 | C05 | C04 | C15 | 20.8° | 22.0° |
| C06 | C05 | C04 | H041 | 139.3° | 96.5° |
| C06 | C05 | H051 | H052 | 122.2° | 122.2° |
| C05 | C06 | H061 | H062 | 123.6° | 121.1° |
| C06 | N07 | C08 | C09 | 54.7° | 72.6° |
| C06 | N07 | C08 | C15 | 112.9° | 117.4° |
| C06 | N07 | C15 | C04 | 32.2° | 39.2° |
| C06 | N07 | C15 | H151 | 151.3° | 79.2° |
| C06 | N07 | C15 | H152 | 86.9° | 157.8° |
| N07 | C06 | C05 | H051 | 78.1° | 117.7° |
| N07 | C06 | C05 | H052 | 160.4° | 120.2° |
| N07 | C06 | H061 | H062 | 123.5° | 121.3° |
| C06 | N07 | C08 | H081 | 174.3° | 167.4° |
| C06 | N07 | C08 | H082 | 64.9° | 47.4° |
| C08 | C09 | C10 | C14 | 179.2° | 180.0° |
| C08 | C09 | C10 | C11 | 178.4° | 179.7° |
| C08 | C09 | C14 | C13 | 178.8° | 179.5° |
| C09 | C08 | N07 | H081 | 119.6° | 120.0° |
| C09 | C08 | N07 | H082 | 119.6° | 120.1° |
| C09 | C08 | N07 | C15 | 167.7° | 170.0° |
| C08 | C09 | C10 | H101 | 1.5° | 0.0° |
| C09 | C08 | H081 | H082 | 121.1° | 120.0° |
| C08 | C09 | C14 | H141 | 1.2° | 0.1° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.9° | 0.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.5° |
| C10 | C09 | C08 | N07 | 125.8° | 90.1° |
| C10 | C09 | C08 | H081 | 114.6° | 150.0° |
| C10 | C09 | C08 | H082 | 6.2° | 30.0° |
| C09 | C10 | C11 | H111 | 179.1° | 180.0° |
| C10 | C09 | C14 | H141 | 179.6° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C10 | C09 | C14 | 0.7° | 0.3° |
| C10 | C11 | C12 | H121 | 179.3° | 179.7° |
| C11 | C12 | C13 | H121 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.4° | 0.2° |
| C12 | C11 | C10 | H101 | 179.1° | 179.7° |
| C11 | C12 | C13 | H131 | 179.6° | 179.9° |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C12 | C13 | C14 | C09 | 0.2° | 0.5° |
| C13 | C12 | C11 | H111 | 179.3° | 180.0° |
| C12 | C13 | C14 | H141 | 179.8° | 180.0° |
| C13 | C14 | C09 | H141 | 180.0° | 179.5° |
| C14 | C13 | C12 | H121 | 179.6° | 179.9° |
| C08 | N07 | C15 | C04 | 147.6° | 159.7° |
| N07 | C08 | C09 | C14 | 53.4° | 89.9° |
| C08 | N07 | C15 | H151 | 93.3° | 41.3° |
| C08 | N07 | C15 | H152 | 28.5° | 81.7° |
| C08 | N07 | C06 | H061 | 77.8° | 94.8° |
| C08 | N07 | C06 | H062 | 44.6° | 26.4° |
| N07 | C08 | H081 | H082 | 121.1° | 120.0° |
| N07 | C15 | C04 | H151 | 119.1° | 118.4° |
| N07 | C15 | C04 | H152 | 119.1° | 118.5° |
| N07 | C15 | H151 | H152 | 122.6° | 123.0° |
| N07 | C15 | C04 | H041 | 111.8° | 81.1° |
| C15 | N07 | C06 | H061 | 164.2° | 144.7° |
| C15 | N07 | C06 | H062 | 73.4° | 94.1° |
| C15 | N07 | C08 | H081 | 72.7° | 50.0° |
| C15 | N07 | C08 | H082 | 48.0° | 69.9° |
| C03 | N02 | S16 | O17 | 157.4° | 28.4° |
| C03 | N02 | S16 | O18 | 78.7° | 161.3° |
| C03 | N02 | S16 | C19 | 40.2° | 85.2° |
| N02 | C03 | C04 | C15 | 45.8° | 174.7° |
| C03 | N02 | C01 | H013 | 180.0° | 90.1° |
| C03 | N02 | C01 | H012 | 60.0° | 149.9° |
| C03 | N02 | C01 | H011 | 60.0° | 29.9° |
| N02 | C03 | H032 | H031 | 117.7° | 120.1° |
| N02 | C03 | C04 | H041 | 74.7° | 51.6° |
| N02 | S16 | O17 | O18 | 119.6° | 123.0° |
| N02 | S16 | O17 | C19 | 115.3° | 114.1° |
| N02 | S16 | O18 | C19 | 117.8° | 114.1° |
| N02 | S16 | C19 | C20 | 80.0° | 94.9° |
| N02 | S16 | C19 | C28 | 97.5° | 85.1° |
| S16 | N02 | C01 | H013 | 32.1° | 90.0° |
| S16 | N02 | C01 | H012 | 87.9° | 30.0° |
| S16 | N02 | C01 | H011 | 152.1° | 150.0° |
| S16 | N02 | C03 | H032 | 11.7° | 25.0° |
| S16 | N02 | C03 | H031 | 106.8° | 145.0° |
| O17 | S16 | O18 | C19 | 125.6° | 122.9° |
| O17 | S16 | C19 | C20 | 32.8° | 151.5° |
| O17 | S16 | C19 | C28 | 149.7° | 28.4° |
| O18 | S16 | C19 | C20 | 161.3° | 18.6° |
| O18 | S16 | C19 | C28 | 21.2° | 161.4° |
| S16 | C19 | C20 | C28 | 177.7° | 180.0° |
| S16 | C19 | C20 | C21 | 178.6° | 179.7° |
| S16 | C19 | C28 | C27 | 178.7° | 179.5° |
| S16 | C19 | C20 | H201 | 1.4° | 0.0° |
| S16 | C19 | C28 | H281 | 1.4° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C19 | C28 | C27 | 1.0° | 0.5° |
| C19 | C20 | C21 | H211 | 179.8° | 180.0° |
| C20 | C19 | C28 | H281 | 179.1° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.9° | 179.9° |
| C21 | C20 | C19 | C28 | 0.9° | 0.3° |
| C20 | C21 | C22 | C27 | 0.3° | 0.0° |
| C21 | C22 | C23 | C27 | 179.6° | 179.9° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C27 | C26 | 179.8° | 179.9° |
| C21 | C22 | C27 | C28 | 0.2° | 0.2° |
| C22 | C21 | C20 | H201 | 179.8° | 179.7° |
| C21 | C22 | C23 | H231 | 0.1° | 0.1° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| C23 | C22 | C27 | C26 | 0.6° | 0.0° |
| C23 | C22 | C27 | C28 | 179.8° | 179.9° |
| C23 | C22 | C21 | H211 | 0.1° | 0.1° |
| C22 | C23 | C24 | H241 | 179.7° | 179.9° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C24 | C23 | C22 | C27 | 0.5° | 0.1° |
| C23 | C24 | C25 | H251 | 179.8° | 179.9° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.0° |
| C24 | C25 | C26 | H261 | 179.7° | 180.0° |
| C25 | C24 | C23 | H231 | 179.7° | 179.9° |
| C25 | C26 | C27 | H261 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.9° | 179.8° |
| C25 | C26 | C27 | C22 | 0.5° | 0.0° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C26 | C27 | C28 | C22 | 179.6° | 179.8° |
| C26 | C27 | C28 | C19 | 179.1° | 179.7° |
| C26 | C27 | C28 | H281 | 0.8° | 0.2° |
| C27 | C26 | C25 | H251 | 179.7° | 180.0° |
| C27 | C28 | C19 | H281 | 180.0° | 179.6° |
| C28 | C27 | C26 | H261 | 0.1° | 0.1° |
| C04 | C15 | H151 | H152 | 122.6° | 123.2° |
| C15 | C04 | C03 | H032 | 75.0° | 54.7° |
| C15 | C04 | C03 | H031 | 166.6° | 65.2° |
| C15 | C04 | C05 | H051 | 98.5° | 140.9° |
| C15 | C04 | C05 | H052 | 140.0° | 97.0° |
| C14 | C09 | C10 | H101 | 179.3° | 179.9° |
| C09 | C14 | C13 | H131 | 179.8° | 179.7° |
| C14 | C09 | C08 | H081 | 66.2° | 30.0° |
| C14 | C09 | C08 | H082 | 173.0° | 150.0° |
| C19 | C28 | C27 | C22 | 0.5° | 0.4° |
| C28 | C19 | C20 | H201 | 179.1° | 180.0° |
| C27 | C22 | C21 | H211 | 179.7° | 180.0° |
| C22 | C27 | C26 | H261 | 179.5° | 180.0° |
| C22 | C27 | C28 | H281 | 179.6° | 180.0° |
| C27 | C22 | C23 | H231 | 179.5° | 179.9° |
| H101 | C10 | C11 | H111 | 0.9° | 0.3° |
| H131 | C13 | C12 | H121 | 0.4° | 0.3° |
| H131 | C13 | C14 | H141 | 0.2° | 0.2° |
| H151 | C15 | C04 | H041 | 7.3° | 160.5° |
| H152 | C15 | C04 | H041 | 129.1° | 37.4° |
| H201 | C20 | C21 | H211 | 0.2° | 0.3° |
| H241 | C24 | C23 | H231 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 0.2° | 0.1° |
| H261 | C26 | C25 | H251 | 0.3° | 0.1° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H032 | C03 | C04 | H041 | 164.5° | 68.4° |
| H031 | C03 | C04 | H041 | 46.1° | 171.6° |
| H041 | C04 | C05 | H051 | 20.0° | 22.5° |
| H041 | C04 | C05 | H052 | 101.5° | 144.5° |
| H051 | C05 | C06 | H061 | 40.6° | 1.7° |
| H051 | C05 | C06 | H062 | 163.1° | 122.8° |
| H052 | C05 | C06 | H061 | 80.9° | 120.5° |
| H052 | C05 | C06 | H062 | 41.6° | 0.7° |
| H111 | C11 | C12 | H121 | 0.7° | 0.3° |
