A1I5S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C06 | C03 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.53Å | 1.57Å | |
| C08 | C07 | sing | 1.53Å | 1.57Å | |
| N09 | C08 | sing | 1.47Å | 1.51Å | |
| C10 | N09 | sing | 1.34Å | 1.41Å | |
| O11 | C10 | doub | 1.22Å | 1.21Å | |
| C12 | C10 | sing | 1.48Å | 1.51Å | |
| O13 | C12 | sing | 1.35Å | 1.35Å | |
| C14 | C12 | doub | 1.35Å | 1.34Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| C17 | C15 | sing | 1.48Å | 1.52Å | |
| C18 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.36Å | |
| C22 | O21 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.54Å | 1.52Å | |
| O24 | C23 | sing | 1.43Å | 1.42Å | |
| C25 | O24 | sing | 1.36Å | 1.38Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.47Å | 1.51Å | |
| C27 | C14 | sing | 1.51Å | 1.57Å | |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| O32 | C31 | sing | 1.36Å | 1.37Å | |
| C33 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| N09 | C27 | sing | 1.47Å | 1.51Å | |
| C17 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | 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 | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | 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 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 114.7° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H022 | 108.2° | 109.5° |
| C01 | C02 | H021 | 108.2° | 109.5° |
| C02 | C03 | C04 | 110.1° | 109.5° |
| C02 | C03 | C06 | 112.5° | 109.5° |
| C03 | C02 | H022 | 108.2° | 109.5° |
| C03 | C02 | H021 | 108.1° | 109.4° |
| C02 | C03 | H031 | 108.1° | 109.5° |
| C05 | C04 | C03 | 114.4° | 109.5° |
| C05 | C04 | H041 | 108.2° | 109.5° |
| C05 | C04 | H042 | 108.2° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.5° |
| C04 | C05 | H052 | 109.5° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.5° |
| C04 | C03 | C06 | 109.9° | 109.4° |
| C04 | C03 | H031 | 108.2° | 109.5° |
| C03 | C04 | H041 | 108.3° | 109.5° |
| C03 | C04 | H042 | 108.2° | 109.5° |
| C03 | C06 | C07 | 116.5° | 109.5° |
| C06 | C03 | H031 | 107.9° | 109.5° |
| C03 | C06 | H062 | 107.7° | 109.5° |
| C03 | C06 | H061 | 107.7° | 109.5° |
| C06 | C07 | C08 | 115.8° | 109.5° |
| C07 | C06 | H062 | 107.6° | 109.5° |
| C07 | C06 | H061 | 107.7° | 109.5° |
| C06 | C07 | H071 | 107.9° | 109.5° |
| C06 | C07 | H072 | 107.9° | 109.4° |
| C07 | C08 | N09 | 117.6° | 109.5° |
| C08 | C07 | H071 | 107.9° | 109.5° |
| C08 | C07 | H072 | 107.9° | 109.5° |
| C07 | C08 | H082 | 107.4° | 109.5° |
| C07 | C08 | H081 | 107.4° | 109.5° |
| C08 | N09 | C10 | 121.4° | 126.1° |
| C08 | N09 | C27 | 130.5° | 126.0° |
| N09 | C08 | H082 | 107.4° | 109.5° |
| N09 | C08 | H081 | 107.4° | 109.5° |
| N09 | C10 | O11 | 127.0° | 125.0° |
| N09 | C10 | C12 | 107.8° | 110.0° |
| C10 | N09 | C27 | 108.0° | 107.9° |
| O11 | C10 | C12 | 125.2° | 125.0° |
| C10 | C12 | O13 | 119.3° | 125.4° |
| C10 | C12 | C14 | 111.4° | 109.1° |
| O13 | C12 | C14 | 124.3° | 125.4° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C14 | C15 | 128.4° | 126.6° |
| C12 | C14 | C27 | 107.3° | 106.8° |
| O16 | C15 | C17 | 115.9° | 120.0° |
| O16 | C15 | C14 | 115.9° | 120.0° |
| C15 | C17 | C18 | 120.6° | 120.1° |
| C17 | C15 | C14 | 128.2° | 120.0° |
| C15 | C17 | C26 | 123.0° | 120.1° |
| C17 | C18 | C19 | 122.1° | 119.9° |
| C18 | C17 | C26 | 116.4° | 119.8° |
| C17 | C18 | H181 | 119.0° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.3° |
| C19 | C18 | H181 | 119.0° | 120.0° |
| C18 | C19 | H191 | 119.6° | 119.8° |
| C19 | C20 | O21 | 119.4° | 119.3° |
| C19 | C20 | C25 | 118.3° | 120.0° |
| C20 | C19 | H191 | 119.6° | 119.9° |
| C20 | O21 | C22 | 115.0° | 116.7° |
| O21 | C20 | C25 | 122.3° | 120.7° |
| O21 | C22 | C23 | 110.8° | 108.3° |
| O21 | C22 | H222 | 109.1° | 109.7° |
| O21 | C22 | H221 | 109.1° | 109.7° |
| C22 | C23 | O24 | 112.3° | 108.2° |
| C23 | C22 | H222 | 109.1° | 109.7° |
| C23 | C22 | H221 | 109.1° | 109.7° |
| C22 | C23 | H231 | 108.7° | 109.7° |
| C22 | C23 | H232 | 108.8° | 109.6° |
| C23 | O24 | C25 | 116.8° | 116.7° |
| O24 | C23 | H231 | 108.8° | 109.7° |
| O24 | C23 | H232 | 108.7° | 109.8° |
| O24 | C25 | C26 | 119.5° | 119.3° |
| O24 | C25 | C20 | 120.5° | 120.7° |
| C25 | C26 | C17 | 122.4° | 120.0° |
| C26 | C25 | C20 | 120.0° | 120.0° |
| C25 | C26 | H261 | 118.8° | 120.1° |
| C15 | C14 | C27 | 124.0° | 126.6° |
| C14 | C27 | C28 | 106.0° | 110.1° |
| C14 | C27 | N09 | 104.8° | 106.2° |
| C14 | C27 | H271 | 107.7° | 110.1° |
| C27 | C28 | C29 | 119.7° | 119.9° |
| C28 | C27 | N09 | 121.1° | 110.2° |
| C27 | C28 | C34 | 123.9° | 119.9° |
| C28 | C27 | H271 | 108.2° | 110.1° |
| C28 | C29 | C30 | 122.7° | 120.1° |
| C29 | C28 | C34 | 116.3° | 120.1° |
| C28 | C29 | H291 | 118.7° | 120.0° |
| C29 | C30 | C31 | 119.6° | 120.0° |
| C30 | C29 | H291 | 118.7° | 119.9° |
| C29 | C30 | H301 | 120.2° | 120.1° |
| C30 | C31 | O32 | 120.8° | 120.1° |
| C30 | C31 | C33 | 119.1° | 119.8° |
| C31 | C30 | H301 | 120.2° | 120.0° |
| O32 | C31 | C33 | 120.1° | 120.1° |
| C31 | O32 | H321 | 109.5° | 114.0° |
| C31 | C33 | C34 | 120.1° | 120.0° |
| C31 | C33 | H331 | 119.9° | 120.0° |
| C33 | C34 | C28 | 122.1° | 120.0° |
| C34 | C33 | H331 | 119.9° | 120.0° |
| C33 | C34 | H341 | 119.0° | 120.0° |
| N09 | C27 | H271 | 108.3° | 110.1° |
| C17 | C26 | H261 | 118.8° | 120.0° |
| C28 | C34 | H341 | 118.9° | 120.0° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H053 | C05 | H052 | 109.4° | 109.5° |
| H053 | C05 | H051 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.7° |
| H231 | C23 | H232 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H022 | 120.8° | 120.1° |
| C01 | C02 | C03 | H021 | 120.8° | 120.0° |
| C01 | C02 | C03 | C04 | 56.7° | 65.0° |
| C01 | C02 | C03 | C06 | 66.3° | 175.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 117.7° | 120.1° |
| C01 | C02 | C03 | H031 | 174.7° | 55.0° |
| C02 | C03 | C04 | C05 | 53.4° | 174.4° |
| C02 | C03 | C04 | C06 | 124.5° | 120.0° |
| C02 | C03 | C04 | H031 | 117.9° | 120.0° |
| C02 | C03 | C06 | H031 | 119.1° | 120.0° |
| C02 | C03 | C06 | C07 | 130.8° | 66.1° |
| C03 | C02 | C01 | H013 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 59.9° |
| C03 | C02 | C01 | H012 | 60.0° | 179.9° |
| C03 | C02 | H022 | H021 | 117.6° | 119.9° |
| C02 | C03 | C04 | H041 | 67.3° | 54.4° |
| C02 | C03 | C04 | H042 | 174.1° | 65.5° |
| C02 | C03 | C06 | H062 | 9.8° | 173.9° |
| C02 | C03 | C06 | H061 | 108.2° | 53.9° |
| C05 | C04 | C03 | H041 | 120.7° | 120.0° |
| C05 | C04 | C03 | H042 | 120.7° | 120.1° |
| C05 | C04 | C03 | C06 | 177.9° | 65.6° |
| C05 | C04 | C03 | H031 | 64.5° | 54.4° |
| C05 | C04 | H041 | H042 | 117.8° | 120.0° |
| C04 | C05 | H053 | H052 | 120.0° | 120.0° |
| C04 | C05 | H053 | H051 | 120.0° | 120.0° |
| C04 | C05 | H052 | H051 | 120.0° | 120.0° |
| C04 | C03 | C06 | H031 | 117.8° | 120.0° |
| C04 | C03 | C06 | C07 | 106.1° | 173.9° |
| C04 | C03 | C02 | H022 | 64.1° | 55.0° |
| C04 | C03 | C02 | H021 | 177.5° | 175.0° |
| C03 | C04 | H041 | H042 | 117.8° | 120.0° |
| C03 | C04 | C05 | H053 | 180.0° | 56.4° |
| C03 | C04 | C05 | H052 | 60.0° | 63.6° |
| C03 | C04 | C05 | H051 | 60.0° | 176.4° |
| C04 | C03 | C06 | H062 | 132.9° | 53.9° |
| C04 | C03 | C06 | H061 | 14.9° | 66.1° |
| C03 | C06 | C07 | H062 | 121.0° | 120.0° |
| C03 | C06 | C07 | H061 | 121.0° | 120.0° |
| C03 | C06 | C07 | C08 | 177.1° | 175.2° |
| C06 | C03 | C02 | H022 | 172.9° | 64.9° |
| C06 | C03 | C02 | H021 | 54.5° | 55.0° |
| C06 | C03 | C04 | H041 | 57.2° | 174.4° |
| C06 | C03 | C04 | H042 | 61.4° | 54.5° |
| C03 | C06 | H062 | H061 | 116.8° | 120.0° |
| C03 | C06 | C07 | H071 | 62.0° | 64.8° |
| C03 | C06 | C07 | H072 | 56.1° | 55.2° |
| C06 | C07 | C08 | H071 | 120.9° | 120.0° |
| C06 | C07 | C08 | H072 | 120.9° | 120.0° |
| C06 | C07 | C08 | N09 | 7.6° | 180.0° |
| C07 | C06 | C03 | H031 | 11.7° | 53.9° |
| C07 | C06 | H062 | H061 | 116.8° | 120.0° |
| C06 | C07 | H071 | H072 | 117.1° | 120.0° |
| C06 | C07 | C08 | H082 | 128.8° | 60.0° |
| C06 | C07 | C08 | H081 | 113.6° | 60.0° |
| C07 | C08 | N09 | H082 | 121.2° | 120.0° |
| C07 | C08 | N09 | H081 | 121.2° | 120.0° |
| C07 | C08 | N09 | C10 | 91.4° | 90.1° |
| C07 | C08 | N09 | C27 | 86.8° | 90.0° |
| C08 | C07 | C06 | H062 | 56.0° | 55.2° |
| C08 | C07 | C06 | H061 | 61.9° | 64.8° |
| C08 | C07 | H071 | H072 | 117.2° | 120.0° |
| C07 | C08 | H082 | H081 | 116.3° | 120.0° |
| C08 | N09 | C10 | C27 | 178.5° | 180.0° |
| C08 | N09 | C10 | O11 | 1.2° | 0.2° |
| C08 | N09 | C10 | C12 | 178.9° | 180.0° |
| C08 | N09 | C27 | C14 | 174.5° | 180.0° |
| C08 | N09 | C27 | C28 | 66.0° | 60.8° |
| N09 | C08 | C07 | H071 | 113.3° | 60.0° |
| N09 | C08 | C07 | H072 | 128.6° | 60.0° |
| N09 | C08 | H082 | H081 | 116.3° | 120.0° |
| C08 | N09 | C27 | H271 | 59.7° | 60.8° |
| N09 | C10 | O11 | C12 | 180.0° | 179.8° |
| N09 | C10 | C12 | O13 | 161.5° | 180.0° |
| N09 | C10 | C12 | C14 | 5.3° | 0.0° |
| C10 | N09 | C27 | C14 | 3.9° | 0.0° |
| C10 | N09 | C27 | C28 | 115.6° | 119.2° |
| C10 | N09 | C08 | H082 | 147.4° | 30.0° |
| C10 | N09 | C08 | H081 | 29.8° | 150.0° |
| C10 | N09 | C27 | H271 | 118.6° | 119.2° |
| O11 | C10 | C12 | O13 | 18.5° | 0.2° |
| O11 | C10 | C12 | C14 | 174.7° | 179.8° |
| O11 | C10 | N09 | C27 | 179.7° | 179.8° |
| C10 | C12 | O13 | C14 | 152.9° | 180.0° |
| C10 | C12 | C14 | C15 | 166.2° | 180.0° |
| C10 | C12 | C14 | C27 | 7.7° | 0.0° |
| C12 | C10 | N09 | C27 | 0.3° | 0.0° |
| C10 | C12 | O13 | H131 | 7.5° | 0.0° |
| O13 | C12 | C14 | C15 | 11.4° | 0.0° |
| O13 | C12 | C14 | C27 | 162.4° | 180.0° |
| C12 | C14 | C15 | O16 | 164.3° | 66.0° |
| C12 | C14 | C15 | C17 | 16.1° | 114.0° |
| C12 | C14 | C15 | C27 | 172.9° | 180.0° |
| C12 | C14 | C27 | C28 | 122.0° | 119.2° |
| C12 | C14 | C27 | N09 | 7.2° | 0.0° |
| C12 | C14 | C27 | H271 | 122.4° | 119.2° |
| C14 | C12 | O13 | H131 | 160.4° | 180.0° |
| O16 | C15 | C17 | C14 | 179.6° | 180.0° |
| O16 | C15 | C17 | C18 | 39.4° | 178.5° |
| O16 | C15 | C14 | C27 | 8.6° | 114.0° |
| O16 | C15 | C17 | C26 | 140.7° | 1.8° |
| C15 | C17 | C18 | C26 | 179.8° | 179.8° |
| C15 | C17 | C18 | C19 | 179.9° | 179.9° |
| C15 | C17 | C26 | C25 | 180.0° | 179.7° |
| C17 | C15 | C14 | C27 | 171.0° | 66.0° |
| C15 | C17 | C18 | H181 | 0.1° | 0.0° |
| C15 | C17 | C26 | H261 | 0.0° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C26 | C25 | 0.2° | 0.6° |
| C18 | C17 | C15 | C14 | 141.0° | 1.6° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C18 | C17 | C26 | H261 | 179.8° | 179.7° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 179.9° | 179.7° |
| C19 | C18 | C17 | C26 | 0.1° | 0.4° |
| C18 | C19 | C20 | C25 | 0.1° | 0.1° |
| C19 | C20 | O21 | C25 | 179.9° | 179.8° |
| C19 | C20 | O21 | C22 | 159.4° | 162.8° |
| C19 | C20 | C25 | O24 | 179.9° | 179.8° |
| C19 | C20 | C25 | C26 | 0.1° | 0.1° |
| C20 | C19 | C18 | H181 | 179.9° | 179.9° |
| C20 | O21 | C22 | C23 | 45.9° | 46.3° |
| O21 | C20 | C25 | O24 | 0.0° | 0.4° |
| O21 | C20 | C25 | C26 | 180.0° | 179.9° |
| O21 | C20 | C19 | H191 | 0.1° | 0.3° |
| C20 | O21 | C22 | H222 | 74.3° | 73.4° |
| C20 | O21 | C22 | H221 | 166.1° | 166.1° |
| O21 | C22 | C23 | H222 | 120.2° | 119.7° |
| O21 | C22 | C23 | H221 | 120.2° | 119.7° |
| O21 | C22 | C23 | O24 | 54.0° | 59.8° |
| C22 | O21 | C20 | C25 | 20.5° | 17.4° |
| O21 | C22 | H222 | H221 | 119.4° | 120.5° |
| O21 | C22 | C23 | H231 | 174.4° | 59.8° |
| O21 | C22 | C23 | H232 | 66.4° | 179.6° |
| C22 | C23 | O24 | H231 | 120.4° | 119.7° |
| C22 | C23 | O24 | H232 | 120.4° | 119.6° |
| C22 | C23 | O24 | C25 | 35.0° | 46.3° |
| C23 | C22 | H222 | H221 | 119.4° | 120.6° |
| C22 | C23 | H231 | H232 | 118.7° | 120.5° |
| C23 | O24 | C25 | C26 | 171.2° | 163.0° |
| C23 | O24 | C25 | C20 | 8.8° | 17.3° |
| O24 | C23 | C22 | H222 | 66.2° | 59.9° |
| O24 | C23 | C22 | H221 | 174.2° | 179.5° |
| O24 | C23 | H231 | H232 | 118.7° | 120.7° |
| O24 | C25 | C26 | C20 | 180.0° | 179.7° |
| O24 | C25 | C26 | C17 | 179.9° | 179.9° |
| C25 | O24 | C23 | H231 | 155.4° | 73.4° |
| C25 | O24 | C23 | H232 | 85.4° | 165.9° |
| O24 | C25 | C26 | H261 | 0.1° | 0.2° |
| C25 | C26 | C17 | H261 | 180.0° | 179.7° |
| C15 | C14 | C27 | C28 | 63.8° | 60.8° |
| C15 | C14 | C27 | N09 | 167.0° | 180.0° |
| C14 | C15 | C17 | C26 | 38.8° | 178.2° |
| C15 | C14 | C27 | H271 | 51.8° | 60.8° |
| C14 | C27 | C28 | N09 | 118.9° | 116.8° |
| C14 | C27 | C28 | H271 | 115.3° | 121.6° |
| C14 | C27 | C28 | C29 | 153.2° | 70.0° |
| C14 | C27 | N09 | H271 | 114.8° | 119.2° |
| C14 | C27 | C28 | C34 | 27.9° | 109.7° |
| C27 | C28 | C29 | C34 | 179.1° | 179.7° |
| C27 | C28 | C29 | C30 | 179.7° | 180.0° |
| C27 | C28 | C34 | C33 | 179.7° | 179.8° |
| C28 | C27 | N09 | H271 | 125.7° | 121.6° |
| C27 | C28 | C29 | H291 | 0.3° | 0.0° |
| C27 | C28 | C34 | H341 | 0.3° | 0.1° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.0° |
| C29 | C28 | C34 | C33 | 0.7° | 0.5° |
| C29 | C28 | C27 | N09 | 87.9° | 46.8° |
| C29 | C28 | C27 | H271 | 37.9° | 168.4° |
| C28 | C29 | C30 | H301 | 179.6° | 180.0° |
| C29 | C28 | C34 | H341 | 179.3° | 179.8° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | O32 | 179.9° | 180.0° |
| C29 | C30 | C31 | C33 | 0.1° | 0.0° |
| C30 | C29 | C28 | C34 | 0.7° | 0.3° |
| C30 | C31 | O32 | C33 | 179.8° | 180.0° |
| C30 | C31 | C33 | C34 | 0.0° | 0.2° |
| C31 | C30 | C29 | H291 | 179.6° | 180.0° |
| C30 | C31 | C33 | H331 | 179.9° | 180.0° |
| C30 | C31 | O32 | H321 | 180.0° | 90.0° |
| O32 | C31 | C33 | C34 | 179.8° | 179.8° |
| O32 | C31 | C30 | H301 | 0.1° | 0.1° |
| O32 | C31 | C33 | H331 | 0.1° | 0.0° |
| C31 | C33 | C34 | H331 | 180.0° | 179.8° |
| C31 | C33 | C34 | C28 | 0.4° | 0.5° |
| C33 | C31 | C30 | H301 | 179.9° | 179.9° |
| C31 | C33 | C34 | H341 | 179.7° | 179.8° |
| C33 | C31 | O32 | H321 | 0.2° | 90.0° |
| C33 | C34 | C28 | H341 | 180.0° | 179.7° |
| N09 | C27 | C28 | C34 | 91.1° | 133.5° |
| C27 | N09 | C08 | H082 | 34.4° | 150.0° |
| C27 | N09 | C08 | H081 | 152.0° | 30.0° |
| C17 | C26 | C25 | C20 | 0.1° | 0.4° |
| C26 | C17 | C18 | H181 | 179.9° | 179.7° |
| C25 | C20 | C19 | H191 | 179.8° | 179.9° |
| C20 | C25 | C26 | H261 | 179.9° | 179.9° |
| C34 | C28 | C27 | H271 | 143.2° | 11.9° |
| C34 | C28 | C29 | H291 | 179.3° | 179.7° |
| C28 | C34 | C33 | H331 | 179.6° | 179.7° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 59.2° | 60.0° |
| H013 | C01 | C02 | H021 | 59.3° | 180.0° |
| H011 | C01 | C02 | H022 | 60.8° | 180.0° |
| H011 | C01 | C02 | H021 | 179.3° | 60.0° |
| H012 | C01 | C02 | H022 | 179.2° | 60.0° |
| H012 | C01 | C02 | H021 | 60.7° | 60.0° |
| H022 | C02 | C03 | H031 | 53.9° | 175.0° |
| H021 | C02 | C03 | H031 | 64.6° | 65.0° |
| H031 | C03 | C04 | H041 | 174.8° | 65.6° |
| H031 | C03 | C04 | H042 | 56.2° | 174.5° |
| H031 | C03 | C06 | H062 | 109.3° | 66.1° |
| H031 | C03 | C06 | H061 | 132.7° | 173.9° |
| H041 | C04 | C05 | H053 | 59.3° | 176.4° |
| H041 | C04 | C05 | H052 | 60.7° | 56.4° |
| H041 | C04 | C05 | H051 | 179.3° | 63.6° |
| H042 | C04 | C05 | H053 | 59.3° | 63.6° |
| H042 | C04 | C05 | H052 | 179.3° | 176.4° |
| H042 | C04 | C05 | H051 | 60.7° | 56.4° |
| H053 | C05 | H052 | H051 | 120.0° | 120.0° |
| H062 | C06 | C07 | H071 | 177.0° | 175.2° |
| H062 | C06 | C07 | H072 | 64.9° | 64.8° |
| H061 | C06 | C07 | H071 | 59.0° | 55.3° |
| H061 | C06 | C07 | H072 | 177.1° | 175.3° |
| H071 | C07 | C08 | H082 | 7.9° | 180.0° |
| H071 | C07 | C08 | H081 | 125.5° | 60.0° |
| H072 | C07 | C08 | H082 | 110.2° | 60.0° |
| H072 | C07 | C08 | H081 | 7.4° | 180.0° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
| H222 | C22 | C23 | H231 | 54.2° | 179.6° |
| H222 | C22 | C23 | H232 | 173.4° | 59.8° |
| H221 | C22 | C23 | H231 | 65.4° | 59.8° |
| H221 | C22 | C23 | H232 | 53.8° | 60.8° |
| H291 | C29 | C30 | H301 | 0.4° | 0.0° |
| H331 | C33 | C34 | H341 | 0.4° | 0.0° |
