A1L4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C34 | sing | 1.43Å | 1.41Å | |
| C34 | C31 | sing | 1.51Å | 1.57Å | |
| C31 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | O01 | sing | 1.36Å | 1.42Å | |
| C22 | C30 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C09 | sing | 1.53Å | 1.56Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| O01 | C10 | sing | 1.43Å | 1.41Å | |
| C09 | C07 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C32 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| O02 | C13 | doub | 1.21Å | 1.19Å | |
| C07 | C13 | sing | 1.51Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C11 | C08 | sing | 1.53Å | 1.55Å | |
| C13 | N05 | sing | 1.35Å | 1.52Å | |
| N05 | C24 | sing | 1.46Å | 1.46Å | |
| N05 | C19 | sing | 1.40Å | 1.50Å | |
| C26 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | N06 | sing | 1.47Å | 1.41Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C27 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| N06 | C18 | sing | 1.47Å | 1.45Å | |
| C15 | N04 | sing | 1.47Å | 1.35Å | |
| C20 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.58Å | |
| C23 | C28 | sing | 1.51Å | 1.55Å | |
| N04 | C17 | sing | 1.47Å | 1.33Å | |
| N04 | C16 | sing | 1.47Å | 1.31Å | |
| C18 | C16 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | 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 | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 1.01Å | 1.00Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C34 | C31 | 109.3° | 109.5° |
| O03 | C34 | H342 | 109.5° | 109.5° |
| O03 | C34 | H341 | 109.5° | 109.5° |
| C34 | O03 | H031 | 109.5° | 114.1° |
| C34 | C31 | C29 | 120.0° | 119.9° |
| C34 | C31 | C33 | 120.0° | 120.0° |
| C31 | C34 | H342 | 109.5° | 109.5° |
| C31 | C34 | H341 | 109.5° | 109.5° |
| C29 | C31 | C33 | 120.0° | 120.1° |
| C31 | C29 | C22 | 120.0° | 119.9° |
| C31 | C29 | H291 | 120.0° | 120.1° |
| C31 | C33 | C32 | 120.0° | 120.1° |
| C31 | C33 | H331 | 120.0° | 119.9° |
| C29 | C22 | O01 | 120.0° | 120.0° |
| C29 | C22 | C30 | 119.8° | 119.9° |
| C22 | C29 | H291 | 120.0° | 120.0° |
| C33 | C32 | C30 | 120.2° | 120.1° |
| C33 | C32 | H321 | 119.9° | 119.9° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| O01 | C22 | C30 | 120.2° | 120.1° |
| C22 | O01 | C10 | 110.8° | 117.0° |
| C22 | C30 | C32 | 120.1° | 120.0° |
| C22 | C30 | H301 | 119.9° | 120.0° |
| C09 | C12 | C10 | 111.9° | 109.5° |
| C12 | C09 | C07 | 108.9° | 109.5° |
| C09 | C12 | H122 | 108.9° | 109.4° |
| C09 | C12 | H121 | 108.8° | 109.5° |
| C12 | C09 | H092 | 109.6° | 109.5° |
| C12 | C09 | H091 | 109.6° | 109.5° |
| C12 | C10 | O01 | 109.7° | 109.5° |
| C12 | C10 | C11 | 111.6° | 109.4° |
| C12 | C10 | H101 | 108.5° | 109.5° |
| C10 | C12 | H122 | 108.8° | 109.5° |
| C10 | C12 | H121 | 108.9° | 109.5° |
| O01 | C10 | C11 | 108.2° | 109.4° |
| O01 | C10 | H101 | 110.2° | 109.5° |
| C09 | C07 | C13 | 111.4° | 109.5° |
| C09 | C07 | C08 | 107.3° | 109.5° |
| C09 | C07 | H071 | 108.4° | 109.5° |
| C07 | C09 | H092 | 109.6° | 109.4° |
| C07 | C09 | H091 | 109.6° | 109.5° |
| C10 | C11 | C08 | 109.3° | 109.4° |
| C11 | C10 | H101 | 108.7° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C32 | C30 | H301 | 120.0° | 120.1° |
| C30 | C32 | H321 | 119.9° | 120.0° |
| O02 | C13 | C07 | 117.2° | 120.0° |
| O02 | C13 | N05 | 117.5° | 120.1° |
| C13 | C07 | C08 | 114.1° | 109.5° |
| C07 | C13 | N05 | 125.4° | 120.0° |
| C13 | C07 | H071 | 107.8° | 109.5° |
| C07 | C08 | C11 | 107.5° | 109.5° |
| C08 | C07 | H071 | 107.7° | 109.4° |
| C07 | C08 | H082 | 109.9° | 109.5° |
| C07 | C08 | H081 | 110.0° | 109.5° |
| C08 | C11 | H111 | 109.5° | 109.5° |
| C08 | C11 | H112 | 109.5° | 109.5° |
| C11 | C08 | H082 | 110.0° | 109.5° |
| C11 | C08 | H081 | 109.9° | 109.5° |
| C13 | N05 | C24 | 118.7° | 120.0° |
| C13 | N05 | C19 | 123.4° | 120.0° |
| C24 | N05 | C19 | 117.9° | 120.0° |
| N05 | C24 | H243 | 109.5° | 109.5° |
| N05 | C24 | H242 | 109.5° | 109.5° |
| N05 | C24 | H241 | 109.5° | 109.4° |
| N05 | C19 | C26 | 120.8° | 120.0° |
| N05 | C19 | C25 | 119.3° | 120.1° |
| C19 | C26 | C27 | 119.9° | 119.9° |
| C26 | C19 | C25 | 119.9° | 119.9° |
| C19 | C26 | H261 | 120.1° | 120.1° |
| C26 | C27 | C20 | 120.3° | 120.1° |
| C27 | C26 | H261 | 120.1° | 120.0° |
| C26 | C27 | H271 | 119.8° | 119.9° |
| C19 | C25 | C23 | 120.4° | 119.9° |
| C19 | C25 | H251 | 119.8° | 120.1° |
| C21 | C14 | N06 | 110.2° | 109.5° |
| C21 | C14 | C15 | 109.6° | 109.5° |
| C21 | C14 | H141 | 109.4° | 109.5° |
| C14 | C21 | H212 | 109.5° | 109.5° |
| C14 | C21 | H211 | 109.5° | 109.5° |
| C14 | C21 | H213 | 109.4° | 109.5° |
| N06 | C14 | C15 | 107.7° | 109.4° |
| C14 | N06 | C18 | 108.8° | 110.9° |
| N06 | C14 | H141 | 111.1° | 109.5° |
| C14 | N06 | H061 | 109.6° | 111.0° |
| C14 | C15 | N04 | 109.8° | 109.3° |
| C15 | C14 | H141 | 109.0° | 109.5° |
| C14 | C15 | H152 | 109.4° | 109.5° |
| C14 | C15 | H151 | 109.4° | 109.5° |
| C27 | C20 | C23 | 119.6° | 120.1° |
| C27 | C20 | C17 | 119.1° | 119.9° |
| C20 | C27 | H271 | 119.8° | 120.0° |
| C25 | C23 | C20 | 120.0° | 120.1° |
| C25 | C23 | C28 | 118.6° | 119.9° |
| C23 | C25 | H251 | 119.8° | 120.0° |
| N06 | C18 | C16 | 112.1° | 109.3° |
| N06 | C18 | H182 | 108.8° | 109.5° |
| N06 | C18 | H181 | 108.8° | 109.5° |
| C18 | N06 | H061 | 109.6° | 111.0° |
| C15 | N04 | C17 | 109.4° | 111.0° |
| C15 | N04 | C16 | 110.2° | 110.9° |
| N04 | C15 | H152 | 109.4° | 109.5° |
| N04 | C15 | H151 | 109.4° | 109.5° |
| C23 | C20 | C17 | 121.3° | 119.9° |
| C20 | C23 | C28 | 121.5° | 120.0° |
| C20 | C17 | N04 | 109.4° | 109.4° |
| C20 | C17 | H172 | 109.5° | 109.4° |
| C20 | C17 | H171 | 109.5° | 109.5° |
| C23 | C28 | H282 | 109.5° | 109.5° |
| C23 | C28 | H281 | 109.5° | 109.5° |
| C23 | C28 | H283 | 109.4° | 109.5° |
| C17 | N04 | C16 | 111.5° | 111.0° |
| N04 | C17 | H172 | 109.5° | 109.5° |
| N04 | C17 | H171 | 109.5° | 109.5° |
| N04 | C16 | C18 | 111.8° | 109.4° |
| N04 | C16 | H162 | 108.9° | 109.5° |
| N04 | C16 | H161 | 108.9° | 109.5° |
| C18 | C16 | H162 | 108.9° | 109.5° |
| C18 | C16 | H161 | 108.9° | 109.5° |
| C16 | C18 | H182 | 108.8° | 109.5° |
| C16 | C18 | H181 | 108.8° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.4° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.4° | 109.5° |
| H243 | C24 | H241 | 109.4° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C34 | C31 | H342 | 120.0° | 120.0° |
| O03 | C34 | C31 | H341 | 120.0° | 120.0° |
| O03 | C34 | C31 | C29 | 14.2° | 90.0° |
| O03 | C34 | C31 | C33 | 165.7° | 90.0° |
| O03 | C34 | H342 | H341 | 120.0° | 120.0° |
| C34 | C31 | C29 | C33 | 179.9° | 180.0° |
| C34 | C31 | C29 | C22 | 180.0° | 180.0° |
| C34 | C31 | C33 | C32 | 179.9° | 179.9° |
| C34 | C31 | C29 | H291 | 0.0° | 0.3° |
| C31 | C34 | H342 | H341 | 120.1° | 120.0° |
| C34 | C31 | C33 | H331 | 0.0° | 0.0° |
| C31 | C34 | O03 | H031 | 180.0° | 180.0° |
| C31 | C29 | C22 | H291 | 180.0° | 179.8° |
| C29 | C31 | C33 | C32 | 0.1° | 0.1° |
| C31 | C29 | C22 | O01 | 180.0° | 179.8° |
| C31 | C29 | C22 | C30 | 0.2° | 0.2° |
| C29 | C31 | C34 | H342 | 134.2° | 149.9° |
| C29 | C31 | C34 | H341 | 105.8° | 30.0° |
| C29 | C31 | C33 | H331 | 179.9° | 180.0° |
| C33 | C31 | C29 | C22 | 0.1° | 0.1° |
| C31 | C33 | C32 | H331 | 180.0° | 179.9° |
| C31 | C33 | C32 | C30 | 0.1° | 0.2° |
| C33 | C31 | C29 | H291 | 179.9° | 179.7° |
| C33 | C31 | C34 | H342 | 45.7° | 30.0° |
| C33 | C31 | C34 | H341 | 74.3° | 150.0° |
| C31 | C33 | C32 | H321 | 179.9° | 179.7° |
| C29 | C22 | O01 | C30 | 179.8° | 180.0° |
| C29 | C22 | O01 | C10 | 100.1° | 3.9° |
| C29 | C22 | C30 | C32 | 0.2° | 0.5° |
| C29 | C22 | C30 | H301 | 179.8° | 180.0° |
| C33 | C32 | C30 | C22 | 0.1° | 0.5° |
| C33 | C32 | C30 | H321 | 180.0° | 179.9° |
| C33 | C32 | C30 | H301 | 179.9° | 180.0° |
| C22 | O01 | C10 | C12 | 79.6° | 83.5° |
| C22 | O01 | C10 | C11 | 158.5° | 156.5° |
| O01 | C22 | C30 | C32 | 180.0° | 179.5° |
| C22 | O01 | C10 | H101 | 39.8° | 36.5° |
| O01 | C22 | C29 | H291 | 0.0° | 0.0° |
| O01 | C22 | C30 | H301 | 0.0° | 0.0° |
| C30 | C22 | O01 | C10 | 80.1° | 176.1° |
| C22 | C30 | C32 | H301 | 180.0° | 179.5° |
| C30 | C22 | C29 | H291 | 179.8° | 180.0° |
| C22 | C30 | C32 | H321 | 179.8° | 179.4° |
| C09 | C12 | C10 | H122 | 120.4° | 120.0° |
| C09 | C12 | C10 | H121 | 120.4° | 120.1° |
| C09 | C12 | C10 | O01 | 172.3° | 180.0° |
| C12 | C09 | C07 | H092 | 119.9° | 120.0° |
| C12 | C09 | C07 | H091 | 119.9° | 120.0° |
| C09 | C12 | C10 | C11 | 52.4° | 60.0° |
| C12 | C09 | C07 | C13 | 171.6° | 180.0° |
| C12 | C09 | C07 | C08 | 62.9° | 60.0° |
| C09 | C12 | C10 | H101 | 67.4° | 59.9° |
| C09 | C12 | H122 | H121 | 118.9° | 120.0° |
| C12 | C09 | C07 | H071 | 53.1° | 59.9° |
| C12 | C09 | H092 | H091 | 120.3° | 120.0° |
| C12 | C10 | O01 | C11 | 121.9° | 120.0° |
| C12 | C10 | O01 | H101 | 119.3° | 120.0° |
| C10 | C12 | C09 | C07 | 56.1° | 60.0° |
| C12 | C10 | C11 | H101 | 119.6° | 120.0° |
| C12 | C10 | C11 | C08 | 56.1° | 60.0° |
| C12 | C10 | C11 | H111 | 63.9° | 59.9° |
| C12 | C10 | C11 | H112 | 176.0° | 180.0° |
| C10 | C12 | H122 | H121 | 118.9° | 120.0° |
| C10 | C12 | C09 | H092 | 63.8° | 59.9° |
| C10 | C12 | C09 | H091 | 176.0° | 180.0° |
| O01 | C10 | C11 | H101 | 119.7° | 120.0° |
| O01 | C10 | C11 | C08 | 176.8° | 180.0° |
| O01 | C10 | C11 | H111 | 56.9° | 60.0° |
| O01 | C10 | C11 | H112 | 63.2° | 60.0° |
| O01 | C10 | C12 | H122 | 51.9° | 60.1° |
| O01 | C10 | C12 | H121 | 67.4° | 59.9° |
| C09 | C07 | C13 | O02 | 106.5° | 104.3° |
| C09 | C07 | C13 | C08 | 121.7° | 120.0° |
| C09 | C07 | C13 | H071 | 118.8° | 120.0° |
| C09 | C07 | C08 | H071 | 116.5° | 120.0° |
| C09 | C07 | C08 | C11 | 67.4° | 60.0° |
| C09 | C07 | C13 | N05 | 73.1° | 75.7° |
| C07 | C09 | C12 | H122 | 64.3° | 180.0° |
| C07 | C09 | C12 | H121 | 176.4° | 60.0° |
| C09 | C07 | C08 | H082 | 52.3° | 180.0° |
| C09 | C07 | C08 | H081 | 172.9° | 60.0° |
| C07 | C09 | H092 | H091 | 120.3° | 120.0° |
| C10 | C11 | C08 | C07 | 63.3° | 60.0° |
| C10 | C11 | C08 | H111 | 119.9° | 120.0° |
| C10 | C11 | C08 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.1° | 120.0° |
| C11 | C10 | C12 | H122 | 68.0° | 180.0° |
| C11 | C10 | C12 | H121 | 172.7° | 60.0° |
| C10 | C11 | C08 | H082 | 56.4° | 180.0° |
| C10 | C11 | C08 | H081 | 177.0° | 60.0° |
| C30 | C32 | C33 | H331 | 179.9° | 179.8° |
| O02 | C13 | C07 | N05 | 179.7° | 179.9° |
| O02 | C13 | C07 | C08 | 131.8° | 15.7° |
| O02 | C13 | N05 | C24 | 0.3° | 177.0° |
| O02 | C13 | N05 | C19 | 179.9° | 3.0° |
| O02 | C13 | C07 | H071 | 12.2° | 135.7° |
| C13 | C07 | C08 | H071 | 119.6° | 120.0° |
| C13 | C07 | C08 | C11 | 168.7° | 180.0° |
| C07 | C13 | N05 | C24 | 180.0° | 3.0° |
| C07 | C13 | N05 | C19 | 0.4° | 177.0° |
| C13 | C07 | C08 | H082 | 71.6° | 60.0° |
| C13 | C07 | C08 | H081 | 49.0° | 60.0° |
| C13 | C07 | C09 | H092 | 68.5° | 60.0° |
| C13 | C07 | C09 | H091 | 51.6° | 60.0° |
| C07 | C08 | C11 | H082 | 119.7° | 120.0° |
| C07 | C08 | C11 | H081 | 119.7° | 120.0° |
| C08 | C07 | C13 | N05 | 48.5° | 164.3° |
| C07 | C08 | C11 | H111 | 56.7° | 60.0° |
| C07 | C08 | C11 | H112 | 176.8° | 180.0° |
| C07 | C08 | H082 | H081 | 120.9° | 120.0° |
| C08 | C07 | C09 | H092 | 57.0° | 60.0° |
| C08 | C07 | C09 | H091 | 177.2° | 180.0° |
| C08 | C11 | C10 | H101 | 63.5° | 60.0° |
| C08 | C11 | H111 | H112 | 120.1° | 120.0° |
| C11 | C08 | C07 | H071 | 49.1° | 60.0° |
| C11 | C08 | H082 | H081 | 120.9° | 120.0° |
| C13 | N05 | C24 | C19 | 179.6° | 180.0° |
| C13 | N05 | C19 | C26 | 91.0° | 6.9° |
| C13 | N05 | C19 | C25 | 90.0° | 172.3° |
| N05 | C13 | C07 | H071 | 168.1° | 44.4° |
| C13 | N05 | C24 | H243 | 180.0° | 93.8° |
| C13 | N05 | C24 | H242 | 60.0° | 146.2° |
| C13 | N05 | C24 | H241 | 60.0° | 26.2° |
| C24 | N05 | C19 | C26 | 89.4° | 173.1° |
| C24 | N05 | C19 | C25 | 89.7° | 7.7° |
| N05 | C24 | H243 | H242 | 120.0° | 120.0° |
| N05 | C24 | H243 | H241 | 120.0° | 120.0° |
| N05 | C24 | H242 | H241 | 120.0° | 120.0° |
| N05 | C19 | C26 | C25 | 179.0° | 179.2° |
| N05 | C19 | C26 | C27 | 179.7° | 180.0° |
| N05 | C19 | C25 | C23 | 179.8° | 179.7° |
| N05 | C19 | C26 | H261 | 0.3° | 0.8° |
| C19 | N05 | C24 | H243 | 0.3° | 86.2° |
| C19 | N05 | C24 | H242 | 120.3° | 33.8° |
| C19 | N05 | C24 | H241 | 119.6° | 153.8° |
| N05 | C19 | C25 | H251 | 0.2° | 0.8° |
| C19 | C26 | C27 | H261 | 180.0° | 179.1° |
| C19 | C26 | C27 | C20 | 0.5° | 0.6° |
| C26 | C19 | C25 | C23 | 0.8° | 0.5° |
| C19 | C26 | C27 | H271 | 179.5° | 179.5° |
| C26 | C19 | C25 | H251 | 179.2° | 180.0° |
| C27 | C26 | C19 | C25 | 0.7° | 0.8° |
| C26 | C27 | C20 | H271 | 180.0° | 179.9° |
| C26 | C27 | C20 | C23 | 0.3° | 0.0° |
| C26 | C27 | C20 | C17 | 179.9° | 179.7° |
| C19 | C25 | C23 | H251 | 180.0° | 179.5° |
| C19 | C25 | C23 | C20 | 0.6° | 0.0° |
| C19 | C25 | C23 | C28 | 179.6° | 180.0° |
| C25 | C19 | C26 | H261 | 179.3° | 180.0° |
| C21 | C14 | N06 | C15 | 119.4° | 120.0° |
| C21 | C14 | N06 | H141 | 121.4° | 120.0° |
| C21 | C14 | C15 | H141 | 119.6° | 120.1° |
| C21 | C14 | N06 | C18 | 175.3° | 179.3° |
| C21 | C14 | C15 | N04 | 175.0° | 178.4° |
| C21 | C14 | C15 | H152 | 55.0° | 61.7° |
| C21 | C14 | C15 | H151 | 64.9° | 58.4° |
| C14 | C21 | H212 | H211 | 120.0° | 120.0° |
| C14 | C21 | H212 | H213 | 120.0° | 120.0° |
| C14 | C21 | H211 | H213 | 120.0° | 120.0° |
| C21 | C14 | N06 | H061 | 55.4° | 55.4° |
| N06 | C14 | C15 | H141 | 120.6° | 120.0° |
| C14 | N06 | C18 | H061 | 119.9° | 123.9° |
| N06 | C14 | C15 | N04 | 65.2° | 58.4° |
| C14 | N06 | C18 | C16 | 50.6° | 59.3° |
| N06 | C14 | C15 | H152 | 174.8° | 178.4° |
| N06 | C14 | C15 | H151 | 54.9° | 61.5° |
| C14 | N06 | C18 | H182 | 171.0° | 60.6° |
| C14 | N06 | C18 | H181 | 69.8° | 179.3° |
| N06 | C14 | C21 | H212 | 180.0° | 60.0° |
| N06 | C14 | C21 | H211 | 60.0° | 180.0° |
| N06 | C14 | C21 | H213 | 60.0° | 60.0° |
| C15 | C14 | N06 | C18 | 55.9° | 59.3° |
| C14 | C15 | N04 | H152 | 120.0° | 120.0° |
| C14 | C15 | N04 | H151 | 120.1° | 120.0° |
| C14 | C15 | N04 | C17 | 170.7° | 176.8° |
| C14 | C15 | N04 | C16 | 66.4° | 59.3° |
| C14 | C15 | H152 | H151 | 119.9° | 120.1° |
| C15 | C14 | C21 | H212 | 61.7° | 59.9° |
| C15 | C14 | C21 | H211 | 178.3° | 60.1° |
| C15 | C14 | C21 | H213 | 58.3° | 179.9° |
| C15 | C14 | N06 | H061 | 64.1° | 64.6° |
| C27 | C20 | C23 | C25 | 0.3° | 0.3° |
| C27 | C20 | C23 | C17 | 179.6° | 179.7° |
| C27 | C20 | C23 | C28 | 179.9° | 179.7° |
| C27 | C20 | C17 | N04 | 41.3° | 100.3° |
| C20 | C27 | C26 | H261 | 179.5° | 179.7° |
| C27 | C20 | C17 | H172 | 78.7° | 19.7° |
| C27 | C20 | C17 | H171 | 161.2° | 139.7° |
| C25 | C23 | C20 | C28 | 179.8° | 180.0° |
| C25 | C23 | C20 | C17 | 179.9° | 180.0° |
| C25 | C23 | C28 | H282 | 90.1° | 90.0° |
| C25 | C23 | C28 | H281 | 149.9° | 30.0° |
| C25 | C23 | C28 | H283 | 29.9° | 150.0° |
| N06 | C18 | C16 | N04 | 51.5° | 58.4° |
| N06 | C18 | C16 | H182 | 120.4° | 119.9° |
| N06 | C18 | C16 | H181 | 120.4° | 120.0° |
| C18 | N06 | C14 | H141 | 63.3° | 60.6° |
| N06 | C18 | C16 | H162 | 171.9° | 61.6° |
| N06 | C18 | C16 | H161 | 68.8° | 178.4° |
| N06 | C18 | H182 | H181 | 118.8° | 120.1° |
| C15 | N04 | C17 | C20 | 89.3° | 170.0° |
| C15 | N04 | C17 | C16 | 122.1° | 123.8° |
| C15 | N04 | C16 | C18 | 59.0° | 59.3° |
| N04 | C15 | C14 | H141 | 55.4° | 61.6° |
| N04 | C15 | H152 | H151 | 119.9° | 120.0° |
| C15 | N04 | C16 | H162 | 179.4° | 60.6° |
| C15 | N04 | C16 | H161 | 61.3° | 179.3° |
| C15 | N04 | C17 | H172 | 150.8° | 70.1° |
| C15 | N04 | C17 | H171 | 30.7° | 50.0° |
| C23 | C20 | C17 | N04 | 138.3° | 80.0° |
| C23 | C20 | C27 | H271 | 179.7° | 180.0° |
| C20 | C23 | C28 | H282 | 90.1° | 90.0° |
| C20 | C23 | C28 | H281 | 29.9° | 150.0° |
| C20 | C23 | C28 | H283 | 149.9° | 30.0° |
| C23 | C20 | C17 | H172 | 101.7° | 160.0° |
| C23 | C20 | C17 | H171 | 18.4° | 40.0° |
| C20 | C23 | C25 | H251 | 179.4° | 179.5° |
| C17 | C20 | C23 | C28 | 0.3° | 0.0° |
| C20 | C17 | N04 | H172 | 120.0° | 119.9° |
| C20 | C17 | N04 | H171 | 120.0° | 120.0° |
| C20 | C17 | N04 | C16 | 148.6° | 66.2° |
| C17 | C20 | C27 | H271 | 0.1° | 0.2° |
| C20 | C17 | H172 | H171 | 120.1° | 119.9° |
| C23 | C28 | H282 | H281 | 120.0° | 120.0° |
| C23 | C28 | H282 | H283 | 120.0° | 120.0° |
| C23 | C28 | H281 | H283 | 120.0° | 120.0° |
| C28 | C23 | C25 | H251 | 0.4° | 0.5° |
| C17 | N04 | C16 | C18 | 179.3° | 176.8° |
| C17 | N04 | C15 | H152 | 50.7° | 56.8° |
| C17 | N04 | C15 | H151 | 69.2° | 63.2° |
| C17 | N04 | C16 | H162 | 58.9° | 63.2° |
| C17 | N04 | C16 | H161 | 60.4° | 56.8° |
| N04 | C17 | H172 | H171 | 120.1° | 120.1° |
| N04 | C16 | C18 | H162 | 120.4° | 120.0° |
| N04 | C16 | C18 | H161 | 120.3° | 120.0° |
| C16 | N04 | C15 | H152 | 173.6° | 179.3° |
| C16 | N04 | C15 | H151 | 53.7° | 60.6° |
| N04 | C16 | H162 | H161 | 118.9° | 120.0° |
| C16 | N04 | C17 | H172 | 28.7° | 53.7° |
| C16 | N04 | C17 | H171 | 91.4° | 173.8° |
| N04 | C16 | C18 | H182 | 171.9° | 61.5° |
| N04 | C16 | C18 | H181 | 68.8° | 178.4° |
| C18 | C16 | H162 | H161 | 118.9° | 120.1° |
| C16 | C18 | H182 | H181 | 118.8° | 120.1° |
| C16 | C18 | N06 | H061 | 69.4° | 64.6° |
| H101 | C10 | C11 | H111 | 176.5° | 179.9° |
| H101 | C10 | C11 | H112 | 56.4° | 60.0° |
| H101 | C10 | C12 | H122 | 172.2° | 60.0° |
| H101 | C10 | C12 | H121 | 53.0° | NaN° |
| H111 | C11 | C08 | H082 | 176.4° | 60.0° |
| H111 | C11 | C08 | H081 | 63.0° | 180.0° |
| H112 | C11 | C08 | H082 | 63.6° | 60.0° |
| H112 | C11 | C08 | H081 | 57.0° | 60.0° |
| H122 | C12 | C09 | H092 | 175.8° | 60.0° |
| H122 | C12 | C09 | H091 | 55.6° | 60.0° |
| H121 | C12 | C09 | H092 | 56.5° | 180.0° |
| H121 | C12 | C09 | H091 | 63.7° | 60.0° |
| H141 | C14 | C15 | H152 | 64.6° | 58.4° |
| H141 | C14 | C15 | H151 | 175.5° | 178.5° |
| H141 | C14 | C21 | H212 | 57.6° | 180.0° |
| H141 | C14 | C21 | H211 | 62.4° | 60.0° |
| H141 | C14 | C21 | H213 | 177.6° | 60.0° |
| H141 | C14 | N06 | H061 | 176.7° | 175.4° |
| H261 | C26 | C27 | H271 | 0.5° | 0.4° |
| H282 | C28 | H281 | H283 | 120.0° | 119.9° |
| H301 | C30 | C32 | H321 | 0.2° | 0.1° |
| H342 | C34 | O03 | H031 | 60.0° | 60.0° |
| H341 | C34 | O03 | H031 | 60.0° | 59.9° |
| H071 | C07 | C08 | H082 | 168.8° | 60.0° |
| H071 | C07 | C08 | H081 | 70.6° | 180.0° |
| H071 | C07 | C09 | H092 | 173.0° | 179.9° |
| H071 | C07 | C09 | H091 | 66.8° | 60.0° |
| H162 | C16 | C18 | H182 | 67.7° | 178.5° |
| H162 | C16 | C18 | H181 | 51.5° | 58.4° |
| H161 | C16 | C18 | H182 | 51.6° | 58.5° |
| H161 | C16 | C18 | H181 | 170.8° | 61.6° |
| H182 | C18 | N06 | H061 | 51.0° | 175.5° |
| H181 | C18 | N06 | H061 | 170.3° | 55.4° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
| H243 | C24 | H242 | H241 | 119.9° | 120.0° |
| H321 | C32 | C33 | H331 | 0.1° | 0.3° |
