A1D6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.47Å | 1.46Å | |
| N03 | C04 | sing | 1.46Å | 1.48Å | |
| N03 | C06 | sing | 1.35Å | 1.50Å | |
| C04 | C05 | sing | 1.53Å | 1.45Å | |
| C06 | O07 | doub | 1.22Å | 1.19Å | |
| C06 | C08 | sing | 1.48Å | 1.57Å | |
| C09 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | O29 | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 1.60Å | |
| O29 | C28 | sing | 1.36Å | 1.42Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C14 | sing | 1.51Å | 1.63Å | |
| C26 | C33 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.38Å | |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.47Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| N15 | C24 | sing | 1.47Å | 1.39Å | |
| C18 | C17 | sing | 1.53Å | 1.63Å | |
| C17 | N19 | sing | 1.47Å | 1.39Å | |
| C24 | C25 | sing | 1.53Å | 1.62Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C21 | doub | 1.31Å | 1.37Å | |
| N19 | C23 | sing | 1.47Å | 1.40Å | |
| N19 | C20 | sing | 1.47Å | 1.35Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 112.3° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H022 | 108.7° | 109.5° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C02 | N03 | C04 | 122.5° | 120.0° |
| C02 | N03 | C06 | 119.5° | 120.0° |
| N03 | C02 | H022 | 108.8° | 109.4° |
| N03 | C02 | H021 | 108.8° | 109.5° |
| C04 | N03 | C06 | 118.0° | 120.0° |
| N03 | C04 | C05 | 105.2° | 109.5° |
| N03 | C04 | H042 | 110.5° | 109.5° |
| N03 | C04 | H041 | 110.5° | 109.4° |
| N03 | C06 | O07 | 121.5° | 120.0° |
| N03 | C06 | C08 | 121.4° | 120.0° |
| C05 | C04 | H042 | 110.6° | 109.4° |
| C05 | C04 | H041 | 110.5° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.4° |
| C04 | C05 | H052 | 109.5° | 109.4° |
| O07 | C06 | C08 | 117.1° | 120.1° |
| C06 | C08 | C09 | 121.5° | 120.2° |
| C06 | C08 | C13 | 119.1° | 120.2° |
| C08 | C09 | C10 | 120.1° | 119.8° |
| C09 | C08 | C13 | 119.4° | 119.7° |
| C08 | C09 | H091 | 119.9° | 120.1° |
| C09 | C10 | C11 | 121.0° | 120.2° |
| C09 | C10 | H101 | 119.5° | 119.9° |
| C10 | C09 | H091 | 120.0° | 120.1° |
| C08 | C13 | C12 | 120.6° | 119.9° |
| C08 | C13 | H131 | 119.7° | 120.0° |
| C10 | C11 | C12 | 118.7° | 120.3° |
| C10 | C11 | C14 | 118.2° | 119.9° |
| C11 | C10 | H101 | 119.5° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.1° |
| C12 | C13 | H131 | 119.7° | 120.1° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C30 | O29 | C28 | 120.7° | 117.0° |
| O29 | C30 | H301 | 109.5° | 109.5° |
| O29 | C30 | H302 | 109.4° | 109.5° |
| O29 | C30 | H303 | 109.4° | 109.5° |
| C12 | C11 | C14 | 123.1° | 119.8° |
| C11 | C12 | H121 | 119.9° | 119.9° |
| C11 | C14 | C26 | 107.0° | 109.5° |
| C11 | C14 | N15 | 111.8° | 109.5° |
| C11 | C14 | H141 | 105.1° | 109.5° |
| O29 | C28 | C27 | 119.9° | 120.1° |
| O29 | C28 | C31 | 120.7° | 120.1° |
| C27 | C28 | C31 | 119.4° | 119.9° |
| C28 | C27 | C26 | 120.5° | 119.9° |
| C28 | C27 | H271 | 119.7° | 120.0° |
| C28 | C31 | C32 | 120.7° | 120.0° |
| C28 | C31 | H311 | 119.6° | 120.0° |
| C27 | C26 | C14 | 120.7° | 120.0° |
| C27 | C26 | C33 | 118.3° | 120.1° |
| C26 | C27 | H271 | 119.7° | 120.0° |
| C31 | C32 | C33 | 119.3° | 120.1° |
| C32 | C31 | H311 | 119.6° | 120.1° |
| C31 | C32 | H321 | 120.4° | 120.0° |
| C14 | C26 | C33 | 121.0° | 119.9° |
| C26 | C14 | N15 | 119.6° | 109.5° |
| C26 | C14 | H141 | 104.8° | 109.4° |
| C26 | C33 | C32 | 121.8° | 120.1° |
| C26 | C33 | H331 | 119.1° | 120.0° |
| C14 | N15 | C16 | 104.4° | 111.0° |
| C14 | N15 | C24 | 116.6° | 111.0° |
| N15 | C14 | H141 | 107.5° | 109.5° |
| C33 | C32 | H321 | 120.4° | 119.9° |
| C32 | C33 | H331 | 119.1° | 120.0° |
| N15 | C16 | C17 | 105.5° | 109.4° |
| C16 | N15 | C24 | 111.9° | 110.9° |
| N15 | C16 | H162 | 110.4° | 109.5° |
| N15 | C16 | H161 | 110.4° | 109.5° |
| C16 | C17 | C18 | 102.0° | 109.5° |
| C16 | C17 | N19 | 101.1° | 109.4° |
| C16 | C17 | H171 | 108.4° | 109.5° |
| C17 | C16 | H162 | 110.4° | 109.5° |
| C17 | C16 | H161 | 110.5° | 109.5° |
| N15 | C24 | C25 | 119.8° | 109.5° |
| N15 | C24 | C23 | 109.0° | 109.4° |
| N15 | C24 | H241 | 109.0° | 109.5° |
| C18 | C17 | N19 | 126.0° | 109.5° |
| C18 | C17 | H171 | 107.4° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | N19 | C23 | 117.2° | 110.9° |
| C17 | N19 | C20 | 122.8° | 111.0° |
| N19 | C17 | H171 | 110.4° | 109.5° |
| C25 | C24 | C23 | 105.1° | 109.5° |
| C25 | C24 | H241 | 106.3° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.4° | 109.5° |
| C24 | C23 | N19 | 110.3° | 109.4° |
| C23 | C24 | H241 | 107.0° | 109.5° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C22 | C21 | C20 | 119.0° | 120.0° |
| C22 | C21 | H211 | 120.5° | 120.1° |
| C21 | C22 | H222 | 120.0° | 120.1° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| C23 | N19 | C20 | 119.7° | 111.0° |
| N19 | C23 | H232 | 109.3° | 109.5° |
| N19 | C23 | H231 | 109.3° | 109.4° |
| N19 | C20 | C21 | 124.7° | 109.5° |
| N19 | C20 | H202 | 105.5° | 109.5° |
| N19 | C20 | H201 | 105.5° | 109.5° |
| C21 | C20 | H202 | 105.6° | 109.4° |
| C21 | C20 | H201 | 105.5° | 109.5° |
| C20 | C21 | H211 | 120.5° | 120.0° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H222 | C22 | H221 | 120.0° | 119.9° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H053 | C05 | H051 | 109.5° | 109.5° |
| H053 | C05 | H052 | 109.4° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | H022 | 120.4° | 120.0° |
| C01 | C02 | N03 | H021 | 120.4° | 120.1° |
| C01 | C02 | N03 | C04 | 116.6° | 90.0° |
| C01 | C02 | N03 | C06 | 62.0° | 90.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C01 | C02 | H022 | H021 | 118.7° | 120.0° |
| C02 | N03 | C04 | C06 | 178.6° | 179.9° |
| C02 | N03 | C04 | C05 | 82.6° | 81.4° |
| C02 | N03 | C06 | O07 | 0.7° | 4.0° |
| C02 | N03 | C06 | C08 | 178.0° | 176.0° |
| N03 | C02 | C01 | H013 | 180.0° | 60.0° |
| N03 | C02 | C01 | H012 | 60.0° | 60.0° |
| N03 | C02 | C01 | H011 | 60.0° | 180.0° |
| N03 | C02 | H022 | H021 | 118.7° | 120.0° |
| C02 | N03 | C04 | H042 | 158.0° | 158.6° |
| C02 | N03 | C04 | H041 | 36.7° | 38.7° |
| N03 | C04 | C05 | H042 | 119.3° | 120.0° |
| N03 | C04 | C05 | H041 | 119.3° | 120.0° |
| C04 | N03 | C06 | O07 | 179.4° | 176.0° |
| C04 | N03 | C06 | C08 | 0.6° | 4.0° |
| C04 | N03 | C02 | H022 | 123.0° | 30.0° |
| C04 | N03 | C02 | H021 | 3.8° | 149.9° |
| N03 | C04 | H042 | H041 | 122.0° | 119.9° |
| N03 | C04 | C05 | H053 | 180.0° | 167.9° |
| N03 | C04 | C05 | H051 | 60.0° | 72.1° |
| N03 | C04 | C05 | H052 | 60.0° | 47.9° |
| C06 | N03 | C04 | C05 | 96.0° | 98.6° |
| N03 | C06 | O07 | C08 | 178.8° | 180.0° |
| N03 | C06 | C08 | C09 | 80.6° | 48.7° |
| N03 | C06 | C08 | C13 | 98.1° | 132.2° |
| C06 | N03 | C02 | H022 | 58.4° | 150.0° |
| C06 | N03 | C02 | H021 | 177.6° | 30.0° |
| C06 | N03 | C04 | H042 | 23.4° | 21.4° |
| C06 | N03 | C04 | H041 | 144.7° | 141.4° |
| C05 | C04 | H042 | H041 | 122.0° | 120.1° |
| C04 | C05 | H053 | H051 | 120.0° | 119.9° |
| C04 | C05 | H053 | H052 | 120.0° | 120.0° |
| C04 | C05 | H051 | H052 | 120.0° | 119.9° |
| O07 | C06 | C08 | C09 | 100.6° | 131.3° |
| O07 | C06 | C08 | C13 | 80.7° | 47.8° |
| C06 | C08 | C09 | C13 | 178.8° | 179.1° |
| C06 | C08 | C09 | C10 | 179.0° | 179.7° |
| C06 | C08 | C13 | C12 | 179.2° | 179.9° |
| C06 | C08 | C13 | H131 | 0.8° | 0.6° |
| C06 | C08 | C09 | H091 | 1.0° | 0.4° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.2° | 0.1° |
| C09 | C08 | C13 | C12 | 0.4° | 0.9° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| C09 | C08 | C13 | H131 | 179.6° | 179.7° |
| C10 | C09 | C08 | C13 | 0.2° | 0.6° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.4° | 0.2° |
| C09 | C10 | C11 | C14 | 179.6° | 179.7° |
| C08 | C13 | C12 | H131 | 180.0° | 179.4° |
| C08 | C13 | C12 | C11 | 0.7° | 0.6° |
| C13 | C08 | C09 | H091 | 179.8° | 179.4° |
| C08 | C13 | C12 | H121 | 179.3° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C10 | C11 | C12 | C14 | 179.2° | 179.9° |
| C10 | C11 | C14 | C26 | 99.2° | 105.7° |
| C10 | C11 | C14 | N15 | 128.1° | 134.4° |
| C11 | C10 | C09 | H091 | 179.8° | 180.0° |
| C10 | C11 | C12 | H121 | 179.4° | 179.5° |
| C10 | C11 | C14 | H141 | 11.8° | 14.3° |
| C13 | C12 | C11 | H121 | 180.0° | 179.5° |
| C13 | C12 | C11 | C14 | 179.8° | 180.0° |
| C30 | O29 | C28 | C27 | 125.0° | 180.0° |
| C30 | O29 | C28 | C31 | 56.9° | 0.0° |
| O29 | C30 | H301 | H302 | 120.0° | 120.0° |
| O29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O29 | C30 | H302 | H303 | 119.9° | 120.0° |
| C12 | C11 | C14 | C26 | 81.6° | 74.4° |
| C12 | C11 | C14 | N15 | 51.1° | 45.6° |
| C12 | C11 | C10 | H101 | 179.6° | 180.0° |
| C11 | C12 | C13 | H131 | 179.4° | 180.0° |
| C12 | C11 | C14 | H141 | 167.4° | 165.7° |
| C11 | C14 | C26 | C27 | 112.4° | 105.9° |
| C11 | C14 | C26 | N15 | 128.3° | 120.0° |
| C11 | C14 | C26 | H141 | 111.2° | 120.0° |
| C11 | C14 | C26 | C33 | 66.8° | 73.8° |
| C11 | C14 | N15 | H141 | 114.8° | 120.1° |
| C11 | C14 | N15 | C16 | 83.2° | 59.0° |
| C11 | C14 | N15 | C24 | 152.8° | 177.2° |
| C14 | C11 | C10 | H101 | 0.4° | 0.0° |
| C14 | C11 | C12 | H121 | 0.2° | 0.6° |
| O29 | C28 | C27 | C31 | 178.2° | 180.0° |
| O29 | C28 | C27 | C26 | 178.9° | 180.0° |
| O29 | C28 | C31 | C32 | 179.3° | 179.7° |
| O29 | C28 | C27 | H271 | 1.1° | 0.1° |
| C28 | O29 | C30 | H301 | 180.0° | 60.0° |
| C28 | O29 | C30 | H302 | 60.0° | 60.0° |
| C28 | O29 | C30 | H303 | 60.0° | 180.0° |
| O29 | C28 | C31 | H311 | 0.8° | 0.0° |
| C28 | C27 | C26 | H271 | 180.0° | 179.9° |
| C27 | C28 | C31 | C32 | 1.1° | 0.3° |
| C28 | C27 | C26 | C14 | 179.7° | 180.0° |
| C28 | C27 | C26 | C33 | 0.4° | 0.3° |
| C27 | C28 | C31 | H311 | 178.9° | 180.0° |
| C31 | C28 | C27 | C26 | 0.7° | 0.0° |
| C28 | C31 | C32 | H311 | 180.0° | 179.7° |
| C28 | C31 | C32 | C33 | 0.3° | 0.3° |
| C31 | C28 | C27 | H271 | 179.3° | 180.0° |
| C28 | C31 | C32 | H321 | 179.7° | 180.0° |
| C27 | C26 | C14 | C33 | 179.2° | 179.7° |
| C27 | C26 | C14 | N15 | 119.3° | 134.1° |
| C27 | C26 | C33 | C32 | 1.2° | 0.3° |
| C27 | C26 | C14 | H141 | 1.3° | 14.1° |
| C27 | C26 | C33 | H331 | 178.8° | 179.6° |
| C31 | C32 | C33 | C26 | 0.9° | 0.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.8° |
| C31 | C32 | C33 | H331 | 179.1° | 179.9° |
| C26 | C14 | N15 | H141 | 119.1° | 120.0° |
| C14 | C26 | C33 | C32 | 179.6° | 180.0° |
| C26 | C14 | N15 | C16 | 150.7° | 179.0° |
| C26 | C14 | N15 | C24 | 26.7° | 57.2° |
| C14 | C26 | C27 | H271 | 0.4° | 0.0° |
| C14 | C26 | C33 | H331 | 0.4° | 0.1° |
| C33 | C26 | C14 | N15 | 61.5° | 46.2° |
| C26 | C33 | C32 | H331 | 180.0° | 179.9° |
| C33 | C26 | C14 | H141 | 177.9° | 166.2° |
| C33 | C26 | C27 | H271 | 179.6° | 179.8° |
| C26 | C33 | C32 | H321 | 179.2° | 179.8° |
| C14 | N15 | C16 | C24 | 127.0° | 123.9° |
| C14 | N15 | C16 | C17 | 161.7° | 176.8° |
| C14 | N15 | C24 | C25 | 55.3° | 63.2° |
| C14 | N15 | C24 | C23 | 176.2° | 176.8° |
| C14 | N15 | C24 | H241 | 67.4° | 56.8° |
| C14 | N15 | C16 | H162 | 42.3° | 63.2° |
| C14 | N15 | C16 | H161 | 78.9° | 56.9° |
| C33 | C32 | C31 | H311 | 179.7° | 180.0° |
| N15 | C16 | C17 | H162 | 119.4° | 120.0° |
| N15 | C16 | C17 | H161 | 119.4° | 120.0° |
| N15 | C16 | C17 | C18 | 61.6° | 61.6° |
| N15 | C16 | C17 | N19 | 69.2° | 58.4° |
| C16 | N15 | C24 | C25 | 64.8° | 60.6° |
| C16 | N15 | C24 | C23 | 56.1° | 59.3° |
| N15 | C16 | C17 | H171 | 174.7° | 178.3° |
| C16 | N15 | C24 | H241 | 172.6° | 179.3° |
| C16 | N15 | C14 | H141 | 31.6° | 61.1° |
| N15 | C16 | H162 | H161 | 121.8° | 120.1° |
| C17 | C16 | N15 | C24 | 71.3° | 59.3° |
| C16 | C17 | C18 | N19 | 113.4° | 119.9° |
| C16 | C17 | C18 | H171 | 113.9° | 120.1° |
| C16 | C17 | N19 | H171 | 114.6° | 120.0° |
| C16 | C17 | N19 | C23 | 63.8° | 59.3° |
| C16 | C17 | N19 | C20 | 122.3° | 176.8° |
| C17 | C16 | H162 | H161 | 121.8° | 120.0° |
| C16 | C17 | C18 | H181 | 180.0° | 59.9° |
| C16 | C17 | C18 | H183 | 60.0° | 60.1° |
| C16 | C17 | C18 | H182 | 60.0° | 179.9° |
| N15 | C24 | C25 | C23 | 122.8° | 119.9° |
| N15 | C24 | C25 | H241 | 124.0° | 120.1° |
| N15 | C24 | C23 | H241 | 117.7° | 120.0° |
| N15 | C24 | C23 | N19 | 43.0° | 58.4° |
| C24 | N15 | C14 | H141 | 92.4° | 62.7° |
| C24 | N15 | C16 | H162 | 169.3° | 60.7° |
| C24 | N15 | C16 | H161 | 48.0° | 179.3° |
| N15 | C24 | C23 | H232 | 163.2° | 178.3° |
| N15 | C24 | C23 | H231 | 77.1° | 61.5° |
| N15 | C24 | C25 | H251 | 180.0° | 63.2° |
| N15 | C24 | C25 | H253 | 60.0° | 56.8° |
| N15 | C24 | C25 | H252 | 60.0° | 176.8° |
| C18 | C17 | N19 | H171 | 131.6° | 120.0° |
| C18 | C17 | N19 | C23 | 50.0° | 60.7° |
| C18 | C17 | N19 | C20 | 123.9° | 63.2° |
| C18 | C17 | C16 | H162 | 57.7° | 178.4° |
| C18 | C17 | C16 | H161 | 179.0° | 58.4° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | N19 | C23 | C24 | 52.4° | 59.3° |
| C17 | N19 | C23 | C20 | 174.1° | 123.9° |
| C17 | N19 | C20 | C21 | 76.5° | 170.0° |
| C17 | N19 | C20 | H202 | 161.5° | 50.0° |
| C17 | N19 | C20 | H201 | 45.6° | 70.0° |
| N19 | C17 | C16 | H162 | 171.5° | 61.6° |
| N19 | C17 | C16 | H161 | 50.2° | 178.4° |
| N19 | C17 | C18 | H181 | 66.6° | 60.0° |
| N19 | C17 | C18 | H183 | 53.4° | 180.0° |
| N19 | C17 | C18 | H182 | 173.4° | 60.0° |
| C17 | N19 | C23 | H232 | 172.5° | 179.3° |
| C17 | N19 | C23 | H231 | 67.7° | 60.6° |
| C25 | C24 | C23 | H241 | 112.7° | 120.0° |
| C25 | C24 | C23 | N19 | 86.6° | 61.5° |
| C25 | C24 | C23 | H232 | 33.6° | 58.4° |
| C25 | C24 | C23 | H231 | 153.3° | 178.5° |
| C24 | C25 | H251 | H253 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | H253 | H252 | 120.0° | 120.0° |
| C24 | C23 | N19 | H232 | 120.1° | 120.0° |
| C24 | C23 | N19 | H231 | 120.1° | 120.0° |
| C24 | C23 | N19 | C20 | 133.5° | 176.8° |
| C24 | C23 | H232 | H231 | 119.6° | 120.1° |
| C23 | C24 | C25 | H251 | 57.1° | 56.6° |
| C23 | C24 | C25 | H253 | 62.8° | 176.7° |
| C23 | C24 | C25 | H252 | 177.2° | 63.4° |
| C22 | C21 | C20 | N19 | 47.4° | 125.0° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | H202 | 169.4° | 115.0° |
| C22 | C21 | C20 | H201 | 74.7° | 5.0° |
| C21 | C22 | H222 | H221 | 180.0° | 179.9° |
| C23 | N19 | C20 | C21 | 109.8° | 66.2° |
| C23 | N19 | C17 | H171 | 178.4° | 179.3° |
| C23 | N19 | C20 | H202 | 12.3° | 173.8° |
| C23 | N19 | C20 | H201 | 128.2° | 53.8° |
| N19 | C23 | C24 | H241 | 160.8° | 178.4° |
| N19 | C23 | H232 | H231 | 119.6° | 120.0° |
| N19 | C20 | C21 | H202 | 122.0° | 120.0° |
| N19 | C20 | C21 | H201 | 122.1° | 120.0° |
| C20 | N19 | C17 | H171 | 7.7° | 56.8° |
| N19 | C20 | H202 | H201 | 113.2° | 120.0° |
| N19 | C20 | C21 | H211 | 132.6° | 55.0° |
| C20 | N19 | C23 | H232 | 13.4° | 56.8° |
| C20 | N19 | C23 | H231 | 106.4° | 63.2° |
| C21 | C20 | H202 | H201 | 113.2° | 120.0° |
| C20 | C21 | C22 | H222 | 180.0° | 0.1° |
| C20 | C21 | C22 | H221 | 0.0° | 180.0° |
| H101 | C10 | C09 | H091 | 0.2° | 0.3° |
| H131 | C13 | C12 | H121 | 0.6° | 0.5° |
| H171 | C17 | C16 | H162 | 55.4° | 58.4° |
| H171 | C17 | C16 | H161 | 65.9° | 61.7° |
| H171 | C17 | C18 | H181 | 66.1° | 180.0° |
| H171 | C17 | C18 | H183 | 173.9° | 60.0° |
| H171 | C17 | C18 | H182 | 53.9° | 60.0° |
| H202 | C20 | C21 | H211 | 10.6° | 65.0° |
| H201 | C20 | C21 | H211 | 105.3° | 175.0° |
| H211 | C21 | C22 | H222 | 0.0° | 179.9° |
| H211 | C21 | C22 | H221 | 180.0° | 0.0° |
| H241 | C24 | C23 | H232 | 79.1° | 61.6° |
| H241 | C24 | C23 | H231 | 40.6° | 58.5° |
| H241 | C24 | C25 | H251 | 56.0° | 176.7° |
| H241 | C24 | C25 | H253 | 176.0° | 63.3° |
| H241 | C24 | C25 | H252 | 64.0° | 56.7° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 59.6° | 60.0° |
| H013 | C01 | C02 | H021 | 59.5° | 180.0° |
| H012 | C01 | C02 | H022 | 60.4° | NaN° |
| H012 | C01 | C02 | H021 | 179.6° | 60.0° |
| H011 | C01 | C02 | H022 | 179.6° | 60.0° |
| H011 | C01 | C02 | H021 | 60.5° | 60.0° |
| H042 | C04 | C05 | H053 | 60.6° | 47.9° |
| H042 | C04 | C05 | H051 | 179.3° | 167.9° |
| H042 | C04 | C05 | H052 | 59.3° | 72.1° |
| H041 | C04 | C05 | H053 | 60.7° | 72.1° |
| H041 | C04 | C05 | H051 | 59.3° | 47.9° |
| H041 | C04 | C05 | H052 | 179.3° | 167.9° |
| H053 | C05 | H051 | H052 | 120.0° | 120.1° |
| H181 | C18 | H183 | H182 | 120.0° | 120.0° |
| H251 | C25 | H253 | H252 | 120.0° | 119.9° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.2° |
| H321 | C32 | C33 | H331 | 0.9° | 0.3° |
