AA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.51Å | 1.51Å | |
| C1 | N7 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C10 | sing | 1.39Å | 1.46Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.50Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| N7 | C8 | doub | 1.33Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.48Å | Aromatic |
| C8 | C17 | sing | 1.41Å | 1.44Å | Aromatic |
| C9 | C10 | doub | 1.41Å | 1.55Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.46Å | Aromatic |
| C10 | N11 | sing | 1.39Å | 1.44Å | |
| N11 | C25 | sing | 1.47Å | 1.48Å | |
| N11 | H11 | sing | 1.01Å | 1.00Å | |
| C14 | C15 | doub | 1.36Å | 1.41Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.45Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.36Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | N36 | sing | 1.47Å | 1.48Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.44Å | Aromatic |
| C26 | C31 | sing | 1.51Å | 1.54Å | |
| C26 | N32 | sing | 1.32Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.55Å | |
| C27 | C35 | sing | 1.39Å | 1.46Å | Aromatic |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.56Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N32 | C33 | doub | 1.33Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.42Å | 1.43Å | Aromatic |
| C33 | C42 | sing | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.41Å | 1.46Å | Aromatic |
| C34 | C39 | sing | 1.40Å | 1.45Å | Aromatic |
| C35 | N36 | sing | 1.39Å | 1.36Å | |
| N36 | H36 | sing | 1.01Å | 1.00Å | |
| C39 | C40 | doub | 1.36Å | 1.39Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | sing | 1.39Å | 1.43Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | doub | 1.36Å | 1.39Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.4° | 122.1° |
| C2 | C1 | N7 | 119.8° | 121.0° |
| C1 | C2 | C3 | 118.1° | 122.8° |
| C1 | C2 | C10 | 120.5° | 119.7° |
| C6 | C1 | N7 | 116.8° | 116.9° |
| C1 | C6 | C5 | 112.7° | 110.6° |
| C1 | C6 | H6C1 | 107.6° | 109.3° |
| C1 | C6 | H6C2 | 108.4° | 109.2° |
| C1 | N7 | C8 | 125.9° | 122.6° |
| C3 | C2 | C10 | 121.4° | 117.5° |
| C2 | C3 | C4 | 115.1° | 110.6° |
| C2 | C3 | H3C1 | 106.3° | 109.2° |
| C2 | C3 | H3C2 | 107.6° | 109.3° |
| C2 | C10 | C9 | 117.0° | 118.4° |
| C2 | C10 | N11 | 122.5° | 120.8° |
| C4 | C3 | H3C1 | 106.3° | 109.3° |
| C4 | C3 | H3C2 | 107.6° | 109.3° |
| C3 | C4 | C5 | 109.2° | 108.4° |
| C3 | C4 | H4C1 | 109.6° | 109.7° |
| C3 | C4 | H4C2 | 109.6° | 109.7° |
| H3C1 | C3 | H3C2 | 114.0° | 109.2° |
| C5 | C4 | H4C1 | 109.6° | 109.6° |
| C5 | C4 | H4C2 | 109.6° | 109.7° |
| C4 | C5 | C6 | 109.0° | 108.4° |
| C4 | C5 | H5C1 | 109.7° | 109.6° |
| C4 | C5 | H5C2 | 109.6° | 109.7° |
| H4C1 | C4 | H4C2 | 109.2° | 109.7° |
| C6 | C5 | H5C1 | 109.7° | 109.6° |
| C6 | C5 | H5C2 | 109.6° | 109.6° |
| C5 | C6 | H6C1 | 107.6° | 109.3° |
| C5 | C6 | H6C2 | 108.4° | 109.2° |
| H5C1 | C5 | H5C2 | 109.1° | 109.9° |
| H6C1 | C6 | H6C2 | 112.1° | 109.2° |
| N7 | C8 | C9 | 119.0° | 119.7° |
| N7 | C8 | C17 | 116.9° | 121.3° |
| C9 | C8 | C17 | 124.1° | 119.0° |
| C8 | C9 | C10 | 117.7° | 118.6° |
| C8 | C9 | C14 | 113.6° | 119.8° |
| C8 | C17 | C16 | 119.4° | 119.8° |
| C8 | C17 | H17 | 120.3° | 120.1° |
| C10 | C9 | C14 | 128.8° | 121.6° |
| C9 | C10 | N11 | 120.5° | 120.8° |
| C9 | C14 | C15 | 122.2° | 119.6° |
| C9 | C14 | H14 | 118.9° | 120.2° |
| C10 | N11 | C25 | 134.4° | 106.7° |
| C10 | N11 | H11 | 101.9° | 106.7° |
| C25 | N11 | H11 | 101.9° | 106.7° |
| N11 | C25 | C24 | 111.2° | 109.5° |
| N11 | C25 | H251 | 108.5° | 109.4° |
| N11 | C25 | H252 | 108.9° | 109.4° |
| C15 | C14 | H14 | 118.9° | 120.2° |
| C14 | C15 | C16 | 122.2° | 120.8° |
| C14 | C15 | H15 | 118.9° | 119.6° |
| C16 | C15 | H15 | 118.9° | 119.6° |
| C15 | C16 | C17 | 118.6° | 121.1° |
| C15 | C16 | H16 | 120.7° | 119.4° |
| C17 | C16 | H16 | 120.7° | 119.5° |
| C16 | C17 | H17 | 120.3° | 120.1° |
| C20 | C19 | N36 | 111.6° | 109.4° |
| C20 | C19 | H191 | 108.3° | 109.5° |
| C20 | C19 | H192 | 108.7° | 109.5° |
| C19 | C20 | C21 | 113.8° | 109.4° |
| C19 | C20 | H201 | 107.0° | 109.5° |
| C19 | C20 | H202 | 108.0° | 109.5° |
| N36 | C19 | H191 | 108.3° | 109.4° |
| N36 | C19 | H192 | 108.8° | 109.4° |
| C19 | N36 | C35 | 123.2° | 106.7° |
| C19 | N36 | H36 | 105.1° | 106.7° |
| H191 | C19 | H192 | 111.2° | 109.5° |
| C21 | C20 | H201 | 107.0° | 109.5° |
| C21 | C20 | H202 | 108.0° | 109.4° |
| C20 | C21 | C22 | 113.8° | 109.5° |
| C20 | C21 | H211 | 107.0° | 109.5° |
| C20 | C21 | H212 | 108.0° | 109.5° |
| H201 | C20 | H202 | 113.0° | 109.5° |
| C22 | C21 | H211 | 107.0° | 109.5° |
| C22 | C21 | H212 | 108.0° | 109.4° |
| C21 | C22 | C23 | 110.1° | 109.5° |
| C21 | C22 | H221 | 109.1° | 109.5° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| H211 | C21 | H212 | 113.0° | 109.4° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | C24 | 112.4° | 109.5° |
| C22 | C23 | H231 | 107.9° | 109.5° |
| C22 | C23 | H232 | 108.5° | 109.5° |
| H221 | C22 | H222 | 109.9° | 109.4° |
| C24 | C23 | H231 | 107.9° | 109.5° |
| C24 | C23 | H232 | 108.5° | 109.4° |
| C23 | C24 | C25 | 109.8° | 109.5° |
| C23 | C24 | H241 | 109.3° | 109.5° |
| C23 | C24 | H242 | 109.4° | 109.5° |
| H231 | C23 | H232 | 111.7° | 109.5° |
| C25 | C24 | H241 | 109.3° | 109.5° |
| C25 | C24 | H242 | 109.4° | 109.4° |
| C24 | C25 | H251 | 108.5° | 109.5° |
| C24 | C25 | H252 | 108.9° | 109.5° |
| H241 | C24 | H242 | 109.7° | 109.5° |
| H251 | C25 | H252 | 110.8° | 109.5° |
| C27 | C26 | C31 | 123.2° | 122.1° |
| C27 | C26 | N32 | 118.5° | 120.9° |
| C26 | C27 | C28 | 116.9° | 122.8° |
| C26 | C27 | C35 | 118.9° | 119.7° |
| C31 | C26 | N32 | 118.3° | 117.0° |
| C26 | C31 | C30 | 113.9° | 110.6° |
| C26 | C31 | H311 | 107.0° | 109.2° |
| C26 | C31 | H312 | 108.0° | 109.2° |
| C26 | N32 | C33 | 125.3° | 122.6° |
| C28 | C27 | C35 | 124.2° | 117.5° |
| C27 | C28 | C29 | 116.0° | 110.6° |
| C27 | C28 | H281 | 105.8° | 109.2° |
| C27 | C28 | H282 | 107.4° | 109.3° |
| C27 | C35 | C34 | 119.3° | 118.5° |
| C27 | C35 | N36 | 130.2° | 120.7° |
| C29 | C28 | H281 | 105.9° | 109.3° |
| C29 | C28 | H282 | 107.4° | 109.3° |
| C28 | C29 | C30 | 109.3° | 108.3° |
| C28 | C29 | H291 | 109.6° | 109.7° |
| C28 | C29 | H292 | 109.5° | 109.7° |
| H281 | C28 | H282 | 114.7° | 109.3° |
| C30 | C29 | H291 | 109.6° | 109.6° |
| C30 | C29 | H292 | 109.5° | 109.7° |
| C29 | C30 | C31 | 109.1° | 108.4° |
| C29 | C30 | H301 | 109.7° | 109.7° |
| C29 | C30 | H302 | 109.6° | 109.6° |
| H291 | C29 | H292 | 109.3° | 109.8° |
| C31 | C30 | H301 | 109.7° | 109.7° |
| C31 | C30 | H302 | 109.6° | 109.6° |
| C30 | C31 | H311 | 107.0° | 109.3° |
| C30 | C31 | H312 | 108.0° | 109.3° |
| H301 | C30 | H302 | 109.2° | 109.8° |
| H311 | C31 | H312 | 113.0° | 109.2° |
| N32 | C33 | C34 | 119.0° | 119.8° |
| N32 | C33 | C42 | 118.4° | 121.3° |
| C34 | C33 | C42 | 122.6° | 119.0° |
| C33 | C34 | C35 | 118.9° | 118.6° |
| C33 | C34 | C39 | 115.8° | 119.8° |
| C33 | C42 | C41 | 119.8° | 119.8° |
| C33 | C42 | H42 | 120.1° | 120.1° |
| C35 | C34 | C39 | 125.3° | 121.6° |
| C34 | C35 | N36 | 110.4° | 120.8° |
| C34 | C39 | C40 | 121.4° | 119.6° |
| C34 | C39 | H39 | 119.3° | 120.2° |
| C35 | N36 | H36 | 105.1° | 106.7° |
| C40 | C39 | H39 | 119.3° | 120.2° |
| C39 | C40 | C41 | 120.4° | 120.8° |
| C39 | C40 | H40 | 119.8° | 119.6° |
| C41 | C40 | H40 | 119.8° | 119.6° |
| C40 | C41 | C42 | 120.0° | 121.0° |
| C40 | C41 | H41 | 120.0° | 119.4° |
| C42 | C41 | H41 | 120.0° | 119.5° |
| C41 | C42 | H42 | 120.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | N7 | 178.8° | 179.9° |
| C1 | C2 | C3 | C10 | 179.6° | 179.7° |
| C1 | C2 | C3 | C4 | 14.9° | 17.5° |
| C1 | C2 | C3 | H3C1 | 102.5° | 102.8° |
| C1 | C2 | C3 | H3C2 | 134.9° | 137.8° |
| C2 | C1 | C6 | C5 | 16.1° | 17.9° |
| C2 | C1 | C6 | H6C1 | 102.5° | 138.2° |
| C2 | C1 | C6 | H6C2 | 136.1° | 102.4° |
| C2 | C1 | N7 | C8 | 0.3° | 0.2° |
| C1 | C2 | C10 | C9 | 4.2° | 0.3° |
| C1 | C2 | C10 | N11 | 175.6° | 179.9° |
| C6 | C1 | C2 | C3 | 1.9° | 0.5° |
| C6 | C1 | C2 | C10 | 178.5° | 179.7° |
| C1 | C6 | C5 | C4 | 48.9° | 51.5° |
| C1 | C6 | C5 | H6C1 | 118.6° | 120.3° |
| C1 | C6 | C5 | H6C2 | 120.0° | 120.2° |
| C1 | C6 | C5 | H5C1 | 71.3° | 68.1° |
| C1 | C6 | C5 | H5C2 | 168.9° | 171.2° |
| C1 | C6 | H6C1 | H6C2 | 119.1° | 119.4° |
| C6 | C1 | N7 | C8 | 178.6° | 179.7° |
| N7 | C1 | C2 | C3 | 176.9° | 179.6° |
| N7 | C1 | C2 | C10 | 2.7° | 0.1° |
| N7 | C1 | C6 | C5 | 165.1° | 162.2° |
| N7 | C1 | C6 | H6C1 | 76.3° | 41.9° |
| N7 | C1 | C6 | H6C2 | 45.1° | 77.5° |
| C1 | N7 | C8 | C9 | 1.5° | 0.2° |
| C1 | N7 | C8 | C17 | 178.6° | 179.9° |
| C2 | C3 | C4 | H3C1 | 117.4° | 120.3° |
| C2 | C3 | C4 | H3C2 | 120.0° | 120.3° |
| C2 | C3 | H3C1 | H3C2 | 118.4° | 119.4° |
| C2 | C3 | C4 | C5 | 48.1° | 51.0° |
| C2 | C3 | C4 | H4C1 | 168.3° | 170.6° |
| C2 | C3 | C4 | H4C2 | 71.9° | 68.7° |
| C3 | C2 | C10 | C9 | 175.4° | 180.0° |
| C3 | C2 | C10 | N11 | 4.8° | 0.3° |
| C10 | C2 | C3 | C4 | 164.7° | 162.8° |
| C10 | C2 | C3 | H3C1 | 77.9° | 76.9° |
| C10 | C2 | C3 | H3C2 | 44.7° | 42.5° |
| C2 | C10 | C9 | C8 | 3.0° | 0.6° |
| C2 | C10 | C9 | N11 | 179.8° | 179.7° |
| C2 | C10 | C9 | C14 | 175.8° | 179.8° |
| C2 | C10 | N11 | C25 | 168.7° | 96.9° |
| C2 | C10 | N11 | H11 | 48.7° | 149.3° |
| C4 | C3 | H3C1 | H3C2 | 118.4° | 119.5° |
| C3 | C4 | C5 | H4C1 | 120.1° | 119.7° |
| C3 | C4 | C5 | H4C2 | 120.0° | 119.7° |
| C3 | C4 | H4C1 | H4C2 | 120.1° | 120.6° |
| C3 | C4 | C5 | C6 | 65.5° | 70.1° |
| C3 | C4 | C5 | H5C1 | 54.7° | 49.5° |
| C3 | C4 | C5 | H5C2 | 174.5° | 170.2° |
| H3C1 | C3 | C4 | C5 | 69.3° | 69.3° |
| H3C1 | C3 | C4 | H4C1 | 50.8° | 50.4° |
| H3C1 | C3 | C4 | H4C2 | 170.7° | 171.0° |
| H3C2 | C3 | C4 | C5 | 168.1° | 171.3° |
| H3C2 | C3 | C4 | H4C1 | 71.7° | 69.1° |
| H3C2 | C3 | C4 | H4C2 | 48.1° | 51.6° |
| C5 | C4 | H4C1 | H4C2 | 120.1° | 120.5° |
| C4 | C5 | C6 | H5C1 | 120.2° | 119.6° |
| C4 | C5 | C6 | H5C2 | 120.0° | 119.7° |
| C4 | C5 | H5C1 | H5C2 | 120.1° | 120.6° |
| C4 | C5 | C6 | H6C1 | 69.7° | 171.8° |
| C4 | C5 | C6 | H6C2 | 168.9° | 68.8° |
| H4C1 | C4 | C5 | C6 | 174.3° | 170.1° |
| H4C1 | C4 | C5 | H5C1 | 65.5° | 70.2° |
| H4C1 | C4 | C5 | H5C2 | 54.4° | 50.4° |
| H4C2 | C4 | C5 | C6 | 54.5° | 49.6° |
| H4C2 | C4 | C5 | H5C1 | 174.7° | 169.2° |
| H4C2 | C4 | C5 | H5C2 | 65.5° | 70.1° |
| C6 | C5 | H5C1 | H5C2 | 120.1° | 120.6° |
| C5 | C6 | H6C1 | H6C2 | 119.1° | 119.4° |
| H5C1 | C5 | C6 | H6C1 | 170.1° | 52.2° |
| H5C1 | C5 | C6 | H6C2 | 48.7° | 171.6° |
| H5C2 | C5 | C6 | H6C1 | 50.3° | 68.5° |
| H5C2 | C5 | C6 | H6C2 | 71.2° | 50.9° |
| N7 | C8 | C9 | C17 | 180.0° | 179.8° |
| N7 | C8 | C9 | C10 | 0.3° | 0.6° |
| N7 | C8 | C9 | C14 | 178.7° | 179.8° |
| N7 | C8 | C17 | C16 | 179.2° | 179.9° |
| N7 | C8 | C17 | H17 | 0.9° | 0.0° |
| C8 | C9 | C10 | C14 | 178.8° | 179.2° |
| C8 | C9 | C10 | N11 | 176.8° | 179.7° |
| C8 | C9 | C14 | C15 | 1.0° | 0.4° |
| C8 | C9 | C14 | H14 | 179.0° | 179.8° |
| C9 | C8 | C17 | C16 | 0.9° | 0.2° |
| C9 | C8 | C17 | H17 | 179.1° | 179.8° |
| C17 | C8 | C9 | C10 | 179.7° | 179.7° |
| C17 | C8 | C9 | C14 | 1.3° | 0.4° |
| C8 | C17 | C16 | C15 | 0.0° | 0.1° |
| C8 | C17 | C16 | H17 | 180.0° | 180.0° |
| C8 | C17 | C16 | H16 | 180.0° | 180.0° |
| C9 | C10 | N11 | C25 | 11.1° | 82.8° |
| C9 | C10 | N11 | H11 | 131.2° | 31.0° |
| C10 | C9 | C14 | C15 | 179.8° | 179.6° |
| C10 | C9 | C14 | H14 | 0.2° | 0.6° |
| C14 | C9 | C10 | N11 | 4.3° | 0.5° |
| C9 | C14 | C15 | H14 | 180.0° | 179.8° |
| C9 | C14 | C15 | C16 | 0.2° | 0.2° |
| C9 | C14 | C15 | H15 | 179.8° | 179.8° |
| C10 | N11 | C25 | H11 | 120.0° | 113.8° |
| C10 | N11 | C25 | C24 | 81.0° | 174.9° |
| C10 | N11 | C25 | H251 | 38.3° | 54.9° |
| C10 | N11 | C25 | H252 | 159.0° | 65.1° |
| N11 | C25 | C24 | C23 | 168.7° | 180.0° |
| N11 | C25 | C24 | H251 | 119.3° | 120.0° |
| N11 | C25 | C24 | H252 | 120.0° | 120.0° |
| N11 | C25 | C24 | H241 | 71.5° | 60.0° |
| N11 | C25 | C24 | H242 | 48.7° | 60.0° |
| N11 | C25 | H251 | H252 | 119.5° | 120.0° |
| H11 | N11 | C25 | C24 | 39.0° | 71.3° |
| H11 | N11 | C25 | H251 | 158.3° | 168.7° |
| H11 | N11 | C25 | H252 | 81.0° | 48.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.1° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| H14 | C14 | C15 | C16 | 179.8° | 180.0° |
| H14 | C14 | C15 | H15 | 0.2° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| H15 | C15 | C16 | C17 | 179.7° | 179.9° |
| H15 | C15 | C16 | H16 | 0.3° | 0.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| C20 | C19 | N36 | H191 | 119.1° | 120.0° |
| C20 | C19 | N36 | H192 | 120.0° | 120.0° |
| C20 | C19 | H191 | H192 | 119.4° | 120.1° |
| C19 | C20 | C21 | H201 | 118.1° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 118.8° | 120.1° |
| C19 | C20 | C21 | C22 | 137.6° | 180.0° |
| C19 | C20 | C21 | H211 | 104.3° | 60.0° |
| C19 | C20 | C21 | H212 | 17.6° | 60.0° |
| C20 | C19 | N36 | C35 | 147.1° | 175.8° |
| C20 | C19 | N36 | H36 | 92.9° | 62.0° |
| N36 | C19 | H191 | H192 | 119.4° | 120.0° |
| N36 | C19 | C20 | C21 | 116.8° | 180.0° |
| N36 | C19 | C20 | H201 | 125.2° | 60.0° |
| N36 | C19 | C20 | H202 | 3.2° | 60.1° |
| C19 | N36 | C35 | C27 | 67.7° | 97.2° |
| C19 | N36 | C35 | C34 | 115.7° | 82.6° |
| C19 | N36 | C35 | H36 | 120.0° | 113.7° |
| H191 | C19 | C20 | C21 | 2.3° | 60.0° |
| H191 | C19 | C20 | H201 | 115.8° | NaN° |
| H191 | C19 | C20 | H202 | 122.3° | 59.9° |
| H191 | C19 | N36 | C35 | 28.0° | 64.2° |
| H191 | C19 | N36 | H36 | 148.0° | 177.9° |
| H192 | C19 | C20 | C21 | 123.2° | 60.1° |
| H192 | C19 | C20 | H201 | 5.1° | 59.9° |
| H192 | C19 | C20 | H202 | 116.8° | 180.0° |
| H192 | C19 | N36 | C35 | 92.9° | 55.8° |
| H192 | C19 | N36 | H36 | 27.1° | 57.9° |
| C21 | C20 | H201 | H202 | 118.8° | 120.0° |
| C20 | C21 | C22 | H211 | 118.1° | 120.1° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 118.8° | 120.0° |
| C20 | C21 | C22 | C23 | 147.3° | 180.0° |
| C20 | C21 | C22 | H221 | 27.5° | 60.0° |
| C20 | C21 | C22 | H222 | 92.7° | 60.0° |
| H201 | C20 | C21 | C22 | 19.6° | 60.0° |
| H201 | C20 | C21 | H211 | 137.6° | 180.0° |
| H201 | C20 | C21 | H212 | 100.4° | 60.0° |
| H202 | C20 | C21 | C22 | 102.4° | 60.0° |
| H202 | C20 | C21 | H211 | 15.7° | 60.0° |
| H202 | C20 | C21 | H212 | 137.6° | 180.0° |
| C22 | C21 | H211 | H212 | 118.8° | 119.9° |
| C21 | C22 | C23 | H221 | 119.7° | 120.1° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 119.8° | 120.0° |
| C21 | C22 | C23 | C24 | 175.9° | 180.0° |
| C21 | C22 | C23 | H231 | 57.2° | 60.1° |
| C21 | C22 | C23 | H232 | 64.1° | 60.0° |
| H211 | C21 | C22 | C23 | 94.6° | 59.9° |
| H211 | C21 | C22 | H221 | 145.6° | 180.0° |
| H211 | C21 | C22 | H222 | 25.4° | 60.1° |
| H212 | C21 | C22 | C23 | 27.3° | 60.0° |
| H212 | C21 | C22 | H221 | 92.5° | 60.1° |
| H212 | C21 | C22 | H222 | 147.3° | 180.0° |
| C23 | C22 | H221 | H222 | 119.9° | 120.0° |
| C22 | C23 | C24 | H231 | 118.8° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.2° | 120.1° |
| C22 | C23 | C24 | C25 | 167.6° | 180.0° |
| C22 | C23 | C24 | H241 | 47.8° | 60.0° |
| C22 | C23 | C24 | H242 | 72.4° | 60.1° |
| H221 | C22 | C23 | C24 | 64.4° | 60.0° |
| H221 | C22 | C23 | H231 | 176.9° | 60.0° |
| H221 | C22 | C23 | H232 | 55.7° | 179.9° |
| H222 | C22 | C23 | C24 | 55.9° | 60.0° |
| H222 | C22 | C23 | H231 | 62.9° | 179.9° |
| H222 | C22 | C23 | H232 | 175.9° | 60.0° |
| C24 | C23 | H231 | H232 | 119.2° | 120.0° |
| C23 | C24 | C25 | H241 | 119.8° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 119.9° |
| C23 | C24 | H241 | H242 | 119.9° | 120.0° |
| C23 | C24 | C25 | H251 | 72.1° | 60.0° |
| C23 | C24 | C25 | H252 | 48.7° | 60.1° |
| H231 | C23 | C24 | C25 | 73.6° | 60.0° |
| H231 | C23 | C24 | H241 | 166.5° | 180.0° |
| H231 | C23 | C24 | H242 | 46.4° | 59.9° |
| H232 | C23 | C24 | C25 | 47.6° | 60.0° |
| H232 | C23 | C24 | H241 | 72.2° | 60.0° |
| H232 | C23 | C24 | H242 | 167.6° | 179.9° |
| C25 | C24 | H241 | H242 | 119.9° | 120.0° |
| C24 | C25 | H251 | H252 | 119.5° | 120.0° |
| H241 | C24 | C25 | H251 | 47.8° | 180.0° |
| H241 | C24 | C25 | H252 | 168.5° | 60.0° |
| H242 | C24 | C25 | H251 | 167.9° | 59.9° |
| H242 | C24 | C25 | H252 | 71.3° | 180.0° |
| C27 | C26 | C31 | N32 | 179.4° | 179.9° |
| C26 | C27 | C28 | C35 | 178.7° | 179.8° |
| C26 | C27 | C28 | C29 | 16.8° | 17.5° |
| C26 | C27 | C28 | H281 | 100.2° | 102.8° |
| C26 | C27 | C28 | H282 | 136.9° | 137.8° |
| C27 | C26 | C31 | C30 | 13.1° | 17.9° |
| C27 | C26 | C31 | H311 | 105.0° | 138.2° |
| C27 | C26 | C31 | H312 | 133.0° | 102.4° |
| C27 | C26 | N32 | C33 | 0.6° | 0.2° |
| C26 | C27 | C35 | C34 | 2.7° | 0.2° |
| C26 | C27 | C35 | N36 | 173.6° | 180.0° |
| C31 | C26 | C27 | C28 | 1.9° | 0.5° |
| C31 | C26 | C27 | C35 | 179.3° | 179.7° |
| C26 | C31 | C30 | C29 | 46.1° | 51.5° |
| C26 | C31 | C30 | H311 | 118.0° | 120.3° |
| C26 | C31 | C30 | H312 | 120.0° | 120.3° |
| C26 | C31 | C30 | H301 | 74.0° | 68.2° |
| C26 | C31 | C30 | H302 | 166.2° | 171.2° |
| C26 | C31 | H311 | H312 | 118.8° | 119.4° |
| C31 | C26 | N32 | C33 | 178.9° | 179.7° |
| N32 | C26 | C27 | C28 | 177.5° | 179.6° |
| N32 | C26 | C27 | C35 | 1.3° | 0.2° |
| N32 | C26 | C31 | C30 | 167.5° | 162.2° |
| N32 | C26 | C31 | H311 | 74.5° | 41.9° |
| N32 | C26 | C31 | H312 | 47.5° | 77.5° |
| C26 | N32 | C33 | C34 | 0.8° | 0.3° |
| C26 | N32 | C33 | C42 | 180.0° | 179.9° |
| C27 | C28 | C29 | H281 | 117.0° | 120.2° |
| C27 | C28 | C29 | H282 | 120.0° | 120.3° |
| C27 | C28 | H281 | H282 | 118.2° | 119.5° |
| C27 | C28 | C29 | C30 | 50.6° | 51.0° |
| C27 | C28 | C29 | H291 | 170.6° | 170.6° |
| C27 | C28 | C29 | H292 | 69.4° | 68.7° |
| C28 | C27 | C35 | C34 | 175.9° | 180.0° |
| C28 | C27 | C35 | N36 | 7.7° | 0.2° |
| C35 | C27 | C28 | C29 | 161.8° | 162.7° |
| C35 | C27 | C28 | H281 | 81.1° | 77.0° |
| C35 | C27 | C28 | H282 | 41.8° | 42.4° |
| C27 | C35 | C34 | C33 | 2.5° | 0.6° |
| C27 | C35 | C34 | N36 | 177.0° | 179.8° |
| C27 | C35 | C34 | C39 | 178.7° | 179.7° |
| C27 | C35 | N36 | H36 | 52.3° | 149.1° |
| C29 | C28 | H281 | H282 | 118.2° | 119.5° |
| C28 | C29 | C30 | H291 | 120.1° | 119.6° |
| C28 | C29 | C30 | H292 | 120.0° | 119.8° |
| C28 | C29 | H291 | H292 | 120.1° | 120.6° |
| C28 | C29 | C30 | C31 | 64.2° | 70.2° |
| C28 | C29 | C30 | H301 | 56.0° | 49.5° |
| C28 | C29 | C30 | H302 | 175.8° | 170.1° |
| H281 | C28 | C29 | C30 | 66.4° | 69.2° |
| H281 | C28 | C29 | H291 | 53.6° | 50.4° |
| H281 | C28 | C29 | H292 | 173.6° | 171.0° |
| H282 | C28 | C29 | C30 | 170.6° | 171.3° |
| H282 | C28 | C29 | H291 | 69.3° | 69.1° |
| H282 | C28 | C29 | H292 | 50.6° | 51.5° |
| C30 | C29 | H291 | H292 | 120.1° | 120.6° |
| C29 | C30 | C31 | H301 | 120.1° | 119.7° |
| C29 | C30 | C31 | H302 | 120.0° | 119.7° |
| C29 | C30 | H301 | H302 | 120.1° | 120.5° |
| C29 | C30 | C31 | H311 | 71.9° | 171.8° |
| C29 | C30 | C31 | H312 | 166.2° | 68.7° |
| H291 | C29 | C30 | C31 | 175.7° | 170.2° |
| H291 | C29 | C30 | H301 | 64.1° | 70.1° |
| H291 | C29 | C30 | H302 | 55.7° | 50.5° |
| H292 | C29 | C30 | C31 | 55.8° | 49.6° |
| H292 | C29 | C30 | H301 | 175.9° | 169.3° |
| H292 | C29 | C30 | H302 | 64.2° | 70.1° |
| C31 | C30 | H301 | H302 | 120.1° | 120.5° |
| C30 | C31 | H311 | H312 | 118.7° | 119.5° |
| H301 | C30 | C31 | H311 | 168.0° | 52.1° |
| H301 | C30 | C31 | H312 | 46.0° | 171.5° |
| H302 | C30 | C31 | H311 | 48.1° | 68.5° |
| H302 | C30 | C31 | H312 | 73.8° | 50.9° |
| N32 | C33 | C34 | C42 | 179.1° | 179.7° |
| N32 | C33 | C34 | C35 | 0.7° | 0.6° |
| N32 | C33 | C34 | C39 | 179.7° | 179.8° |
| N32 | C33 | C42 | C41 | 179.2° | 179.9° |
| N32 | C33 | C42 | H42 | 0.8° | 0.1° |
| C33 | C34 | C35 | C39 | 178.9° | 179.1° |
| C33 | C34 | C35 | N36 | 174.6° | 179.6° |
| C33 | C34 | C39 | C40 | 0.8° | 0.6° |
| C33 | C34 | C39 | H39 | 179.2° | 179.7° |
| C34 | C33 | C42 | C41 | 0.1° | 0.3° |
| C34 | C33 | C42 | H42 | 179.9° | 179.8° |
| C42 | C33 | C34 | C35 | 178.4° | 179.7° |
| C42 | C33 | C34 | C39 | 0.6° | 0.5° |
| C33 | C42 | C41 | C40 | 0.3° | 0.0° |
| C33 | C42 | C41 | H42 | 180.0° | 180.0° |
| C33 | C42 | C41 | H41 | 179.7° | 180.0° |
| C34 | C35 | N36 | H36 | 124.3° | 31.1° |
| C35 | C34 | C39 | C40 | 178.2° | 179.7° |
| C35 | C34 | C39 | H39 | 1.9° | 0.6° |
| C39 | C34 | C35 | N36 | 4.3° | 0.5° |
| C34 | C39 | C40 | H39 | 180.0° | 179.7° |
| C34 | C39 | C40 | C41 | 0.4° | 0.3° |
| C34 | C39 | C40 | H40 | 179.6° | 179.8° |
| C39 | C40 | C41 | H40 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 0.1° | 0.0° |
| C39 | C40 | C41 | H41 | 179.8° | 179.9° |
| H39 | C39 | C40 | C41 | 179.5° | 180.0° |
| H39 | C39 | C40 | H40 | 0.5° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | H42 | 179.7° | 180.0° |
| H40 | C40 | C41 | C42 | 179.9° | 180.0° |
| H40 | C40 | C41 | H41 | 0.2° | 0.0° |
| H41 | C41 | C42 | H42 | 0.3° | 0.0° |
