A1ILK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.17Å | |
| C04 | N03 | doub | 1.33Å | 1.29Å | |
| N05 | C04 | sing | 1.36Å | 1.44Å | |
| C06 | N05 | sing | 1.39Å | 1.48Å | |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| N12 | C11 | sing | 1.39Å | 1.48Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| N15 | C14 | sing | 1.45Å | 1.45Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| O19 | C16 | doub | 1.21Å | 1.18Å | |
| C16 | N15 | sing | 1.35Å | 1.47Å | |
| C20 | N15 | sing | 1.48Å | 1.45Å | |
| C21 | C20 | sing | 1.54Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| N03 | C02 | sing | 1.34Å | 1.46Å | |
| C24 | C02 | sing | 1.48Å | 1.55Å | |
| C25 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | N27 | sing | 1.33Å | 1.32Å | Aromatic |
| C30 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
| N31 | C30 | sing | 1.35Å | 1.32Å | Aromatic |
| C32 | N31 | sing | 1.47Å | 1.46Å | |
| N33 | N31 | sing | 1.40Å | 1.37Å | Aromatic |
| C34 | N33 | doub | 1.31Å | 1.34Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | sing | 1.48Å | 1.56Å | |
| C36 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | N12 | sing | 1.36Å | 1.44Å | |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C23 | sing | 1.47Å | 1.53Å | |
| C24 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C34 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 121.0° | 120.0° |
| O01 | C02 | C24 | 121.8° | 120.0° |
| N03 | C04 | N05 | 126.3° | 125.4° |
| C04 | N03 | C02 | 120.6° | 120.0° |
| N03 | C04 | N12 | 125.5° | 125.4° |
| C04 | N05 | C06 | 107.6° | 108.2° |
| N05 | C04 | N12 | 108.2° | 109.2° |
| C04 | N05 | H051 | 126.2° | 125.9° |
| N05 | C06 | C07 | 131.7° | 133.0° |
| N05 | C06 | C11 | 108.3° | 107.1° |
| C06 | N05 | H051 | 126.2° | 125.9° |
| C07 | C08 | C09 | 120.0° | 120.3° |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C08 | C07 | H071 | 120.0° | 120.1° |
| C07 | C08 | H081 | 120.0° | 119.9° |
| C08 | C09 | C10 | 120.1° | 120.3° |
| C09 | C08 | H081 | 120.0° | 119.8° |
| C08 | C09 | H091 | 120.0° | 119.9° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C09 | C10 | H101 | 120.1° | 120.1° |
| C10 | C09 | H091 | 120.0° | 119.8° |
| C07 | C06 | C11 | 120.0° | 119.9° |
| C06 | C07 | H071 | 120.0° | 120.1° |
| C06 | C11 | N12 | 108.1° | 107.2° |
| C06 | C11 | C10 | 120.1° | 119.8° |
| C11 | N12 | C13 | 125.5° | 125.9° |
| C11 | N12 | C04 | 107.8° | 108.2° |
| N12 | C11 | C10 | 131.8° | 133.0° |
| N12 | C13 | C14 | 104.3° | 109.3° |
| C13 | N12 | C04 | 126.6° | 125.8° |
| N12 | C13 | C23 | 114.1° | 109.3° |
| N12 | C13 | H131 | 109.8° | 109.3° |
| C13 | C14 | N15 | 111.2° | 109.6° |
| C14 | C13 | C23 | 110.3° | 110.3° |
| C14 | C13 | H131 | 109.1° | 109.2° |
| C13 | C14 | H142 | 109.0° | 109.5° |
| C13 | C14 | H141 | 109.0° | 109.4° |
| C14 | N15 | C16 | 117.6° | 118.6° |
| C14 | N15 | C20 | 118.9° | 122.7° |
| N15 | C14 | H142 | 109.1° | 109.4° |
| N15 | C14 | H141 | 109.1° | 109.4° |
| C18 | C17 | C16 | 107.8° | 109.5° |
| C18 | C17 | H172 | 109.8° | 109.5° |
| C18 | C17 | H171 | 109.9° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C16 | O19 | 120.7° | 120.0° |
| C17 | C16 | N15 | 120.7° | 120.0° |
| C16 | C17 | H172 | 109.9° | 109.5° |
| C16 | C17 | H171 | 109.9° | 109.5° |
| O19 | C16 | N15 | 118.6° | 120.0° |
| C16 | N15 | C20 | 123.5° | 118.6° |
| N15 | C20 | C21 | 110.5° | 112.2° |
| N15 | C20 | H202 | 109.2° | 109.0° |
| N15 | C20 | H201 | 109.2° | 109.0° |
| C20 | C21 | C22 | 113.3° | 110.1° |
| C21 | C20 | H202 | 109.2° | 108.9° |
| C21 | C20 | H201 | 109.2° | 108.9° |
| C20 | C21 | H212 | 108.5° | 109.4° |
| C20 | C21 | H211 | 108.5° | 109.4° |
| C21 | C22 | C23 | 114.9° | 109.4° |
| C22 | C21 | H212 | 108.5° | 109.4° |
| C22 | C21 | H211 | 108.5° | 109.2° |
| C21 | C22 | H222 | 108.1° | 109.5° |
| C21 | C22 | H221 | 108.1° | 109.5° |
| C22 | C23 | C13 | 111.7° | 114.3° |
| C23 | C22 | H222 | 108.1° | 109.5° |
| C23 | C22 | H221 | 108.1° | 109.5° |
| C22 | C23 | H232 | 108.9° | 108.5° |
| C22 | C23 | H231 | 108.9° | 108.6° |
| N03 | C02 | C24 | 117.0° | 120.0° |
| C02 | C24 | C25 | 121.5° | 120.9° |
| C02 | C24 | C36 | 120.2° | 120.9° |
| C24 | C25 | C26 | 118.7° | 119.2° |
| C25 | C24 | C36 | 118.0° | 118.3° |
| C24 | C25 | H251 | 120.7° | 120.4° |
| C25 | C26 | N27 | 121.5° | 121.0° |
| C25 | C26 | H261 | 119.2° | 119.5° |
| C26 | C25 | H251 | 120.6° | 120.4° |
| C26 | N27 | C28 | 121.6° | 121.9° |
| N27 | C26 | H261 | 119.3° | 119.5° |
| N27 | C28 | C29 | 121.7° | 119.7° |
| N27 | C28 | C36 | 119.9° | 120.6° |
| C29 | C30 | N31 | 108.0° | 107.6° |
| C30 | C29 | C28 | 124.7° | 126.2° |
| C30 | C29 | C34 | 106.9° | 107.6° |
| C29 | C30 | H301 | 126.0° | 126.2° |
| C30 | N31 | C32 | 124.6° | 125.8° |
| C30 | N31 | N33 | 110.1° | 108.3° |
| N31 | C30 | H301 | 126.0° | 126.2° |
| C32 | N31 | N33 | 125.3° | 125.9° |
| N31 | C32 | H322 | 109.5° | 109.5° |
| N31 | C32 | H321 | 109.5° | 109.4° |
| N31 | C32 | H323 | 109.5° | 109.5° |
| N31 | N33 | C34 | 107.5° | 108.6° |
| N33 | C34 | C35 | 125.4° | 126.0° |
| N33 | C34 | C29 | 107.5° | 108.1° |
| C35 | C34 | C29 | 127.0° | 125.9° |
| C34 | C35 | H352 | 109.5° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C29 | C28 | C36 | 118.4° | 119.7° |
| C28 | C29 | C34 | 128.4° | 126.2° |
| C28 | C36 | C24 | 120.2° | 118.9° |
| C28 | C36 | H361 | 119.9° | 120.5° |
| C11 | C10 | H101 | 120.1° | 120.1° |
| C23 | C13 | H131 | 109.1° | 109.3° |
| C13 | C23 | H232 | 108.9° | 108.5° |
| C13 | C23 | H231 | 108.9° | 108.5° |
| C24 | C36 | H361 | 119.9° | 120.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 108.9° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 108.3° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.4° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 2.5° | 5.2° |
| O01 | C02 | N03 | C24 | 175.0° | 179.9° |
| O01 | C02 | C24 | C25 | 7.5° | 179.7° |
| O01 | C02 | C24 | C36 | 178.6° | 0.0° |
| N03 | C04 | N05 | N12 | 179.3° | 180.0° |
| N03 | C04 | N05 | C06 | 180.0° | 180.0° |
| N03 | C04 | N12 | C11 | 179.6° | 180.0° |
| N03 | C04 | N12 | C13 | 1.9° | 0.0° |
| C04 | N03 | C02 | C24 | 177.5° | 174.7° |
| N03 | C04 | N05 | H051 | 0.0° | 0.1° |
| C04 | N05 | C06 | H051 | 180.0° | 179.9° |
| C04 | N05 | C06 | C07 | 180.0° | 180.0° |
| C04 | N05 | C06 | C11 | 0.0° | 0.0° |
| N05 | C04 | N12 | C11 | 1.1° | 0.0° |
| N05 | C04 | N12 | C13 | 178.8° | 179.9° |
| N05 | C04 | N03 | C02 | 1.1° | 5.6° |
| N05 | C06 | C07 | C08 | 180.0° | 180.0° |
| N05 | C06 | C07 | C11 | 179.9° | 179.9° |
| N05 | C06 | C11 | N12 | 0.7° | 0.0° |
| C06 | N05 | C04 | N12 | 0.7° | 0.0° |
| N05 | C06 | C11 | C10 | 180.0° | 180.0° |
| N05 | C06 | C07 | H071 | 0.0° | 0.1° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.8° |
| C08 | C07 | C06 | C11 | 0.1° | 0.1° |
| C07 | C08 | C09 | H091 | 179.9° | 179.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.1° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C08 | C09 | C10 | H101 | 179.9° | 179.8° |
| C09 | C08 | C07 | H071 | 180.0° | 179.9° |
| C09 | C10 | C11 | C06 | 0.0° | 0.0° |
| C09 | C10 | C11 | N12 | 179.0° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C08 | H081 | 179.9° | 179.9° |
| C07 | C06 | C11 | N12 | 179.3° | 180.0° |
| C07 | C06 | C11 | C10 | 0.1° | 0.0° |
| C06 | C07 | C08 | H081 | 180.0° | 180.0° |
| C07 | C06 | N05 | H051 | 0.0° | 0.1° |
| C06 | C11 | N12 | C10 | 179.2° | 180.0° |
| C06 | C11 | N12 | C13 | 178.9° | 180.0° |
| C06 | C11 | N12 | C04 | 1.2° | 0.0° |
| C06 | C11 | C10 | H101 | 180.0° | 179.8° |
| C11 | C06 | C07 | H071 | 179.9° | 179.9° |
| C11 | C06 | N05 | H051 | 180.0° | 180.0° |
| C11 | N12 | C13 | C04 | 177.3° | 179.9° |
| C11 | N12 | C13 | C14 | 114.6° | 119.1° |
| C11 | N12 | C13 | C23 | 125.0° | 120.0° |
| N12 | C11 | C10 | H101 | 0.9° | 0.2° |
| C11 | N12 | C13 | H131 | 2.2° | 0.4° |
| N12 | C13 | C14 | C23 | 122.9° | 120.3° |
| N12 | C13 | C14 | H131 | 117.3° | 119.5° |
| N12 | C13 | C14 | N15 | 154.1° | 168.5° |
| N12 | C13 | C23 | C22 | 172.5° | 176.9° |
| C13 | N12 | C11 | C10 | 2.0° | 0.1° |
| N12 | C13 | C23 | H131 | 123.2° | 119.6° |
| N12 | C13 | C14 | H142 | 33.8° | 48.4° |
| N12 | C13 | C14 | H141 | 85.6° | 71.6° |
| N12 | C13 | C23 | H232 | 67.1° | 61.8° |
| N12 | C13 | C23 | H231 | 52.2° | 55.7° |
| C13 | C14 | N15 | H142 | 120.3° | 120.1° |
| C13 | C14 | N15 | H141 | 120.3° | 120.0° |
| C13 | C14 | N15 | C16 | 86.0° | 89.3° |
| C13 | C14 | N15 | C20 | 93.9° | 90.7° |
| C14 | C13 | C23 | C22 | 55.5° | 62.8° |
| C14 | C13 | N12 | C04 | 62.7° | 60.9° |
| C14 | C13 | C23 | H131 | 119.7° | 120.1° |
| C13 | C14 | H142 | H141 | 119.2° | 119.9° |
| C14 | C13 | C23 | H232 | 175.8° | 58.5° |
| C14 | C13 | C23 | H231 | 64.9° | 176.0° |
| C14 | N15 | C16 | C17 | 179.3° | 180.0° |
| C14 | N15 | C16 | O19 | 0.4° | 0.0° |
| C14 | N15 | C16 | C20 | 179.9° | 180.0° |
| C14 | N15 | C20 | C21 | 27.8° | 42.1° |
| N15 | C14 | C13 | C23 | 82.9° | 71.3° |
| N15 | C14 | C13 | H131 | 36.8° | 48.9° |
| C14 | N15 | C20 | H202 | 147.9° | 78.6° |
| C14 | N15 | C20 | H201 | 92.3° | 162.7° |
| N15 | C14 | H142 | H141 | 119.3° | 119.9° |
| C18 | C17 | C16 | H172 | 119.7° | 120.0° |
| C18 | C17 | C16 | H171 | 119.7° | 120.0° |
| C18 | C17 | C16 | O19 | 81.9° | 0.0° |
| C18 | C17 | C16 | N15 | 96.9° | 180.0° |
| C18 | C17 | H172 | H171 | 120.7° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.1° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.1° |
| C17 | C16 | O19 | N15 | 178.9° | 179.9° |
| C17 | C16 | N15 | C20 | 0.8° | 0.1° |
| C16 | C17 | H172 | H171 | 120.8° | 120.0° |
| C16 | C17 | C18 | H183 | 180.0° | 60.0° |
| C16 | C17 | C18 | H182 | 60.0° | 180.0° |
| C16 | C17 | C18 | H181 | 60.0° | 60.0° |
| O19 | C16 | N15 | C20 | 179.7° | 180.0° |
| O19 | C16 | C17 | H172 | 37.8° | 120.0° |
| O19 | C16 | C17 | H171 | 158.4° | 120.0° |
| C16 | N15 | C20 | C21 | 152.1° | 137.9° |
| N15 | C16 | C17 | H172 | 143.4° | 59.9° |
| N15 | C16 | C17 | H171 | 22.8° | 60.0° |
| C16 | N15 | C20 | H202 | 31.9° | 101.5° |
| C16 | N15 | C20 | H201 | 87.8° | 17.2° |
| C16 | N15 | C14 | H142 | 34.2° | 30.8° |
| C16 | N15 | C14 | H141 | 153.7° | 150.7° |
| N15 | C20 | C21 | H202 | 120.2° | 120.7° |
| N15 | C20 | C21 | H201 | 120.2° | 120.7° |
| N15 | C20 | C21 | C22 | 52.5° | 40.6° |
| N15 | C20 | H202 | H201 | 119.6° | 118.8° |
| N15 | C20 | C21 | H212 | 173.0° | 160.8° |
| N15 | C20 | C21 | H211 | 68.1° | 79.4° |
| C20 | N15 | C14 | H142 | 145.9° | 149.2° |
| C20 | N15 | C14 | H141 | 26.4° | 29.3° |
| C20 | C21 | C22 | H212 | 120.6° | 120.2° |
| C20 | C21 | C22 | H211 | 120.5° | 120.1° |
| C20 | C21 | C22 | C23 | 92.4° | 91.9° |
| C21 | C20 | H202 | H201 | 119.5° | 118.6° |
| C20 | C21 | H212 | H211 | 118.2° | 119.8° |
| C20 | C21 | C22 | H222 | 28.4° | 28.1° |
| C20 | C21 | C22 | H221 | 146.8° | 148.1° |
| C21 | C22 | C23 | H222 | 120.8° | 120.0° |
| C21 | C22 | C23 | H221 | 120.8° | 120.0° |
| C21 | C22 | C23 | C13 | 68.1° | 85.0° |
| C22 | C21 | C20 | H202 | 67.7° | 161.3° |
| C22 | C21 | C20 | H201 | 172.6° | 80.1° |
| C22 | C21 | H212 | H211 | 118.3° | 119.6° |
| C21 | C22 | H222 | H221 | 117.5° | 120.1° |
| C21 | C22 | C23 | H232 | 171.5° | 36.2° |
| C21 | C22 | C23 | H231 | 52.2° | 153.8° |
| C22 | C23 | C13 | H232 | 120.4° | 121.2° |
| C22 | C23 | C13 | H231 | 120.3° | 121.3° |
| C22 | C23 | C13 | H131 | 64.3° | 57.3° |
| C23 | C22 | C21 | H212 | 147.0° | 147.9° |
| C23 | C22 | C21 | H211 | 28.1° | 28.2° |
| C23 | C22 | H222 | H221 | 117.5° | 120.0° |
| C22 | C23 | H232 | H231 | 119.0° | 117.7° |
| N03 | C02 | C24 | C25 | 167.4° | 0.3° |
| C02 | N03 | C04 | N12 | 178.1° | 174.4° |
| N03 | C02 | C24 | C36 | 6.4° | 180.0° |
| C02 | C24 | C25 | C36 | 174.0° | 179.7° |
| C02 | C24 | C25 | C26 | 176.7° | 180.0° |
| C02 | C24 | C36 | C28 | 177.0° | 179.9° |
| C02 | C24 | C25 | H251 | 3.3° | 0.1° |
| C02 | C24 | C36 | H361 | 3.0° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | N27 | 1.0° | 0.0° |
| C25 | C24 | C36 | C28 | 3.0° | 0.2° |
| C24 | C25 | C26 | H261 | 179.0° | 180.0° |
| C25 | C24 | C36 | H361 | 177.0° | 179.7° |
| C25 | C26 | N27 | H261 | 180.0° | 180.0° |
| C25 | C26 | N27 | C28 | 0.5° | 0.3° |
| C26 | C25 | C24 | C36 | 2.7° | 0.3° |
| C26 | N27 | C28 | C29 | 179.8° | 180.0° |
| C26 | N27 | C28 | C36 | 0.2° | 0.3° |
| N27 | C26 | C25 | H251 | 179.0° | 180.0° |
| N27 | C28 | C29 | C30 | 152.4° | 179.7° |
| N27 | C28 | C29 | C36 | 180.0° | 179.7° |
| N27 | C28 | C36 | C24 | 1.5° | 0.0° |
| N27 | C28 | C29 | C34 | 27.6° | 0.0° |
| C28 | N27 | C26 | H261 | 179.5° | 179.7° |
| N27 | C28 | C36 | H361 | 178.5° | 180.0° |
| C29 | C30 | N31 | H301 | 180.0° | 179.9° |
| C29 | C30 | N31 | C32 | 179.9° | 180.0° |
| C29 | C30 | N31 | N33 | 0.0° | 0.2° |
| C30 | C29 | C34 | N33 | 0.1° | 0.3° |
| C30 | C29 | C34 | C35 | 179.9° | 179.7° |
| C30 | C29 | C28 | C34 | 180.0° | 179.7° |
| C30 | C29 | C28 | C36 | 27.6° | 0.0° |
| C30 | N31 | C32 | N33 | 179.8° | 179.8° |
| C30 | N31 | N33 | C34 | 0.0° | 0.0° |
| N31 | C30 | C29 | C28 | 179.9° | 180.0° |
| N31 | C30 | C29 | C34 | 0.0° | 0.3° |
| C30 | N31 | C32 | H322 | 179.9° | 90.0° |
| C30 | N31 | C32 | H321 | 59.8° | 150.0° |
| C30 | N31 | C32 | H323 | 60.1° | 30.0° |
| C32 | N31 | N33 | C34 | 179.9° | 179.8° |
| C32 | N31 | C30 | H301 | 0.1° | 0.1° |
| N31 | C32 | H322 | H321 | 120.0° | 120.0° |
| N31 | C32 | H322 | H323 | 120.0° | 120.0° |
| N31 | C32 | H321 | H323 | 120.0° | 120.0° |
| N31 | N33 | C34 | C35 | 179.9° | 179.8° |
| N31 | N33 | C34 | C29 | 0.1° | 0.2° |
| N33 | N31 | C30 | H301 | 180.0° | 179.9° |
| N33 | N31 | C32 | H322 | 0.0° | 89.8° |
| N33 | N31 | C32 | H321 | 120.0° | 30.2° |
| N33 | N31 | C32 | H323 | 120.0° | 150.2° |
| N33 | C34 | C35 | C29 | 180.0° | 180.0° |
| N33 | C34 | C29 | C28 | 179.9° | 180.0° |
| N33 | C34 | C35 | H352 | 0.0° | 90.0° |
| N33 | C34 | C35 | H351 | 120.0° | 30.0° |
| N33 | C34 | C35 | H353 | 120.0° | 150.0° |
| C35 | C34 | C29 | C28 | 0.1° | 0.0° |
| C34 | C35 | H352 | H351 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C29 | C28 | C36 | C24 | 178.5° | 179.7° |
| C28 | C29 | C30 | H301 | 0.1° | 0.0° |
| C29 | C28 | C36 | H361 | 1.6° | 0.3° |
| C28 | C36 | C24 | H361 | 180.0° | 180.0° |
| C36 | C28 | C29 | C34 | 152.3° | 179.7° |
| C04 | N12 | C11 | C10 | 179.7° | 180.0° |
| C04 | N12 | C13 | C23 | 57.7° | 60.1° |
| C04 | N12 | C13 | H131 | 179.5° | 179.7° |
| N12 | C04 | N05 | H051 | 179.3° | 179.9° |
| C11 | C10 | C09 | H091 | 179.9° | 180.0° |
| C13 | C23 | C22 | H222 | 52.7° | 35.0° |
| C13 | C23 | C22 | H221 | 171.1° | 155.0° |
| C23 | C13 | C14 | H142 | 156.8° | 168.7° |
| C23 | C13 | C14 | H141 | 37.3° | 48.7° |
| C13 | C23 | H232 | H231 | 118.9° | 117.6° |
| C36 | C24 | C25 | H251 | 177.3° | 179.8° |
| C34 | C29 | C30 | H301 | 180.0° | 179.8° |
| C29 | C34 | C35 | H352 | 180.0° | 90.0° |
| C29 | C34 | C35 | H351 | 60.0° | 150.0° |
| C29 | C34 | C35 | H353 | 60.0° | 30.0° |
| H101 | C10 | C09 | H091 | 0.1° | 0.3° |
| H131 | C13 | C14 | H142 | 83.5° | 71.1° |
| H131 | C13 | C14 | H141 | 157.1° | 168.9° |
| H131 | C13 | C23 | H232 | 56.1° | 178.6° |
| H131 | C13 | C23 | H231 | 175.4° | 64.0° |
| H172 | C17 | C18 | H183 | 60.2° | 60.0° |
| H172 | C17 | C18 | H182 | 59.7° | 60.0° |
| H172 | C17 | C18 | H181 | 179.7° | 180.0° |
| H171 | C17 | C18 | H183 | 60.3° | NaN° |
| H171 | C17 | C18 | H182 | 179.7° | 60.0° |
| H171 | C17 | C18 | H181 | 59.8° | 60.0° |
| H202 | C20 | C21 | H212 | 52.9° | 78.5° |
| H202 | C20 | C21 | H211 | 171.7° | 41.3° |
| H201 | C20 | C21 | H212 | 66.8° | 40.0° |
| H201 | C20 | C21 | H211 | 52.1° | 159.9° |
| H212 | C21 | C22 | H222 | 92.2° | 92.1° |
| H212 | C21 | C22 | H221 | 26.2° | 27.9° |
| H211 | C21 | C22 | H222 | 148.9° | 148.2° |
| H211 | C21 | C22 | H221 | 92.7° | 91.8° |
| H222 | C22 | C23 | H232 | 67.7° | 156.2° |
| H222 | C22 | C23 | H231 | 173.0° | 86.2° |
| H221 | C22 | C23 | H232 | 50.7° | 83.8° |
| H221 | C22 | C23 | H231 | 68.6° | 33.8° |
| H261 | C26 | C25 | H251 | 1.0° | 0.1° |
| H071 | C07 | C08 | H081 | 0.0° | 0.2° |
| H081 | C08 | C09 | H091 | 0.1° | 0.1° |
| H183 | C18 | H182 | H181 | 120.0° | 119.9° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H352 | C35 | H351 | H353 | 120.0° | 119.9° |
