DEQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.42Å | Aromatic |
| C1 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.36Å | 1.41Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C4 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.42Å | 1.45Å | Aromatic |
| C5 | N1 | sing | 1.34Å | 1.55Å | Aromatic |
| C6 | C7 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N4 | sing | 1.39Å | 1.44Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H81 | sing | 1.08Å | 1.10Å | |
| C9 | N1 | doub | 1.31Å | 1.46Å | Aromatic |
| C9 | C30 | sing | 1.51Å | 1.54Å | |
| N1 | C28 | sing | 1.46Å | 1.56Å | |
| C10 | C11 | doub | 1.42Å | 1.46Å | Aromatic |
| C10 | C14 | sing | 1.42Å | 1.43Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | N2 | sing | 1.34Å | 1.58Å | Aromatic |
| C11 | C18 | sing | 1.41Å | 1.44Å | Aromatic |
| N2 | C12 | doub | 1.31Å | 1.53Å | Aromatic |
| N2 | C19 | sing | 1.46Å | 1.59Å | |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C29 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C14 | N3 | sing | 1.39Å | 1.44Å | |
| C15 | C16 | doub | 1.36Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.36Å | 1.42Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 122.7° | 119.7° |
| C2 | C1 | H11 | 117.9° | 120.1° |
| C1 | C2 | C3 | 119.7° | 121.1° |
| C1 | C2 | H21 | 120.4° | 119.5° |
| C5 | C1 | H11 | 119.4° | 120.2° |
| C1 | C5 | C6 | 116.8° | 119.1° |
| C1 | C5 | N1 | 125.0° | 121.0° |
| C3 | C2 | H21 | 120.0° | 119.4° |
| C2 | C3 | C4 | 119.7° | 120.8° |
| C2 | C3 | H31 | 120.1° | 119.6° |
| C4 | C3 | H31 | 120.2° | 119.6° |
| C3 | C4 | C6 | 121.6° | 119.6° |
| C3 | C4 | H41 | 118.4° | 120.2° |
| C6 | C4 | H41 | 120.0° | 120.2° |
| C4 | C6 | C5 | 119.6° | 119.7° |
| C4 | C6 | C7 | 120.3° | 121.4° |
| C6 | C5 | N1 | 118.2° | 119.9° |
| C5 | C6 | C7 | 120.2° | 118.9° |
| C5 | N1 | C9 | 118.0° | 121.7° |
| C5 | N1 | C28 | 126.2° | 119.1° |
| C6 | C7 | C8 | 120.3° | 117.9° |
| C6 | C7 | N4 | 124.5° | 121.0° |
| C8 | C7 | N4 | 115.2° | 121.1° |
| C7 | C8 | C9 | 124.5° | 119.7° |
| C7 | C8 | H81 | 118.0° | 120.1° |
| C7 | N4 | HN41 | 124.5° | 120.0° |
| C7 | N4 | HN42 | 106.9° | 120.0° |
| C9 | C8 | H81 | 117.5° | 120.2° |
| C8 | C9 | N1 | 118.9° | 121.9° |
| C8 | C9 | C30 | 115.6° | 119.0° |
| N1 | C9 | C30 | 125.5° | 119.1° |
| C9 | N1 | C28 | 115.8° | 119.2° |
| C9 | C30 | H301 | 115.6° | 109.5° |
| C9 | C30 | H302 | 110.0° | 109.5° |
| C9 | C30 | H303 | 110.0° | 109.5° |
| N1 | C28 | C27 | 121.7° | 109.5° |
| N1 | C28 | H281 | 107.9° | 109.5° |
| N1 | C28 | H282 | 107.9° | 109.5° |
| C11 | C10 | C14 | 121.6° | 118.9° |
| C11 | C10 | C15 | 119.6° | 119.7° |
| C10 | C11 | N2 | 119.5° | 120.0° |
| C10 | C11 | C18 | 115.5° | 119.0° |
| C14 | C10 | C15 | 118.8° | 121.4° |
| C10 | C14 | C13 | 120.3° | 117.9° |
| C10 | C14 | N3 | 129.2° | 121.0° |
| C10 | C15 | C16 | 122.5° | 119.6° |
| C10 | C15 | H151 | 119.4° | 120.2° |
| N2 | C11 | C18 | 125.0° | 121.0° |
| C11 | N2 | C12 | 111.7° | 121.6° |
| C11 | N2 | C19 | 133.1° | 119.2° |
| C11 | C18 | C17 | 123.7° | 119.7° |
| C11 | C18 | H181 | 119.0° | 120.1° |
| C12 | N2 | C19 | 114.0° | 119.1° |
| N2 | C12 | C13 | 123.3° | 121.9° |
| N2 | C12 | C29 | 121.8° | 119.0° |
| N2 | C19 | C20 | 99.7° | 109.5° |
| N2 | C19 | H191 | 115.9° | 109.5° |
| N2 | C19 | H192 | 115.9° | 109.4° |
| C13 | C12 | C29 | 114.8° | 119.1° |
| C12 | C13 | C14 | 123.6° | 119.7° |
| C12 | C13 | H131 | 118.5° | 120.1° |
| C12 | C29 | H291 | 121.8° | 109.5° |
| C12 | C29 | H292 | 107.8° | 109.5° |
| C12 | C29 | H293 | 107.8° | 109.5° |
| C14 | C13 | H131 | 117.9° | 120.2° |
| C13 | C14 | N3 | 110.5° | 121.1° |
| C14 | N3 | HN31 | 129.2° | 120.0° |
| C14 | N3 | HN32 | 105.3° | 120.0° |
| C16 | C15 | H151 | 118.2° | 120.2° |
| C15 | C16 | C17 | 119.1° | 120.8° |
| C15 | C16 | H161 | 120.8° | 119.6° |
| C17 | C16 | H161 | 120.2° | 119.6° |
| C16 | C17 | C18 | 119.6° | 121.1° |
| C16 | C17 | H171 | 119.7° | 119.5° |
| C18 | C17 | H171 | 120.7° | 119.4° |
| C17 | C18 | H181 | 117.3° | 120.2° |
| C20 | C19 | H191 | 116.0° | 109.5° |
| C20 | C19 | H192 | 116.0° | 109.5° |
| C19 | C20 | C21 | 112.0° | 109.4° |
| C19 | C20 | H201 | 111.2° | 109.5° |
| C19 | C20 | H202 | 111.2° | 109.5° |
| H191 | C19 | H192 | 94.5° | 109.4° |
| C21 | C20 | H201 | 111.3° | 109.5° |
| C21 | C20 | H202 | 111.3° | 109.5° |
| C20 | C21 | C22 | 108.1° | 109.5° |
| C20 | C21 | H211 | 112.7° | 109.5° |
| C20 | C21 | H212 | 112.7° | 109.5° |
| H201 | C20 | H202 | 99.1° | 109.5° |
| C22 | C21 | H211 | 112.8° | 109.4° |
| C22 | C21 | H212 | 112.7° | 109.4° |
| C21 | C22 | C23 | 114.5° | 109.5° |
| C21 | C22 | H221 | 110.3° | 109.5° |
| C21 | C22 | H222 | 110.4° | 109.5° |
| H211 | C21 | H212 | 97.7° | 109.5° |
| C23 | C22 | H221 | 110.4° | 109.4° |
| C23 | C22 | H222 | 110.4° | 109.5° |
| C22 | C23 | C24 | 107.9° | 109.5° |
| C22 | C23 | H231 | 112.8° | 109.4° |
| C22 | C23 | H232 | 112.8° | 109.5° |
| H221 | C22 | H222 | 99.9° | 109.5° |
| C24 | C23 | H231 | 112.8° | 109.5° |
| C24 | C23 | H232 | 112.8° | 109.5° |
| C23 | C24 | C25 | 113.1° | 109.5° |
| C23 | C24 | H241 | 110.9° | 109.5° |
| C23 | C24 | H242 | 110.9° | 109.5° |
| H231 | C23 | H232 | 97.6° | 109.5° |
| C25 | C24 | H241 | 110.9° | 109.5° |
| C25 | C24 | H242 | 110.9° | 109.4° |
| C24 | C25 | C26 | 112.5° | 109.4° |
| C24 | C25 | H251 | 111.1° | 109.5° |
| C24 | C25 | H252 | 111.1° | 109.4° |
| H241 | C24 | H242 | 99.4° | 109.4° |
| C26 | C25 | H251 | 111.1° | 109.5° |
| C26 | C25 | H252 | 111.1° | 109.5° |
| C25 | C26 | C27 | 150.2° | 109.4° |
| C25 | C26 | H261 | 98.7° | 109.5° |
| C25 | C26 | H262 | 98.7° | 109.5° |
| H251 | C25 | H252 | 99.3° | 109.5° |
| C27 | C26 | H261 | 98.8° | 109.4° |
| C27 | C26 | H262 | 98.8° | 109.5° |
| C26 | C27 | C28 | 110.8° | 109.5° |
| C26 | C27 | H271 | 111.7° | 109.5° |
| C26 | C27 | H272 | 111.7° | 109.5° |
| H261 | C26 | H262 | 107.6° | 109.6° |
| C28 | C27 | H271 | 111.7° | 109.5° |
| C28 | C27 | H272 | 111.7° | 109.5° |
| C27 | C28 | H281 | 107.8° | 109.4° |
| C27 | C28 | H282 | 107.8° | 109.4° |
| H271 | C27 | H272 | 98.7° | 109.5° |
| H281 | C28 | H282 | 102.0° | 109.5° |
| H301 | C30 | H302 | 110.0° | 109.4° |
| H301 | C30 | H303 | 110.0° | 109.4° |
| H302 | C30 | H303 | 100.3° | 109.5° |
| H291 | C29 | H292 | 107.8° | 109.4° |
| H291 | C29 | H293 | 107.8° | 109.5° |
| H292 | C29 | H293 | 102.0° | 109.5° |
| HN41 | N4 | HN42 | 107.0° | 120.0° |
| HN31 | N3 | HN32 | 105.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H11 | 180.0° | 180.0° |
| C1 | C2 | C3 | H21 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.7° | 0.0° |
| C1 | C2 | C3 | H31 | 179.3° | 179.9° |
| C2 | C1 | C5 | C6 | 1.1° | 0.1° |
| C2 | C1 | C5 | N1 | 179.2° | 179.7° |
| C5 | C1 | C2 | C3 | 1.0° | 0.0° |
| C5 | C1 | C2 | H21 | 178.9° | 180.0° |
| C1 | C5 | C6 | C4 | 0.9° | 0.1° |
| C1 | C5 | C6 | N1 | 178.3° | 179.8° |
| C1 | C5 | C6 | C7 | 180.0° | 180.0° |
| C1 | C5 | N1 | C9 | 179.6° | 179.7° |
| C1 | C5 | N1 | C28 | 0.7° | 0.0° |
| H11 | C1 | C2 | C3 | 179.0° | 180.0° |
| H11 | C1 | C2 | H21 | 1.1° | 0.1° |
| H11 | C1 | C5 | C6 | 178.9° | 180.0° |
| H11 | C1 | C5 | N1 | 0.8° | 0.3° |
| C2 | C3 | C4 | H31 | 180.0° | 179.9° |
| C2 | C3 | C4 | C6 | 0.6° | 0.0° |
| C2 | C3 | C4 | H41 | 179.4° | 179.9° |
| H21 | C2 | C3 | C4 | 179.2° | 179.9° |
| H21 | C2 | C3 | H31 | 0.7° | 0.0° |
| C3 | C4 | C6 | H41 | 180.0° | 180.0° |
| C3 | C4 | C6 | C5 | 0.7° | 0.0° |
| C3 | C4 | C6 | C7 | 179.7° | 179.9° |
| H31 | C3 | C4 | C6 | 179.5° | 179.9° |
| H31 | C3 | C4 | H41 | 0.6° | 0.0° |
| C4 | C6 | C5 | C7 | 179.1° | 179.9° |
| C4 | C6 | C5 | N1 | 179.1° | 179.7° |
| C4 | C6 | C7 | C8 | 179.9° | 179.9° |
| C4 | C6 | C7 | N4 | 1.0° | 0.0° |
| H41 | C4 | C6 | C5 | 179.3° | 180.0° |
| H41 | C4 | C6 | C7 | 0.2° | 0.1° |
| C5 | C6 | C7 | C8 | 0.8° | 0.0° |
| C5 | C6 | C7 | N4 | 180.0° | 179.9° |
| C6 | C5 | N1 | C9 | 2.3° | 0.5° |
| C6 | C5 | N1 | C28 | 177.4° | 179.7° |
| N1 | C5 | C6 | C7 | 1.8° | 0.2° |
| C5 | N1 | C9 | C8 | 1.9° | 0.5° |
| C5 | N1 | C9 | C28 | 179.8° | 179.8° |
| C5 | N1 | C9 | C30 | 179.7° | 179.7° |
| C5 | N1 | C28 | C27 | 1.6° | 90.0° |
| C5 | N1 | C28 | H281 | 123.6° | 150.0° |
| C5 | N1 | C28 | H282 | 126.9° | 30.0° |
| C6 | C7 | C8 | N4 | 179.2° | 179.9° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H81 | 179.7° | 179.9° |
| C6 | C7 | N4 | HN41 | 180.0° | 180.0° |
| C6 | C7 | N4 | HN42 | 54.7° | 0.1° |
| C7 | C8 | C9 | H81 | 180.0° | 179.9° |
| C7 | C8 | C9 | N1 | 0.9° | 0.3° |
| C7 | C8 | C9 | C30 | 179.5° | 180.0° |
| C8 | C7 | N4 | HN41 | 0.8° | 0.1° |
| C8 | C7 | N4 | HN42 | 124.5° | 180.0° |
| N4 | C7 | C8 | C9 | 179.6° | 180.0° |
| N4 | C7 | C8 | H81 | 0.5° | 0.1° |
| C7 | N4 | HN41 | HN42 | 125.3° | 179.9° |
| C8 | C9 | N1 | C30 | 178.4° | 179.7° |
| C8 | C9 | N1 | C28 | 177.9° | 179.7° |
| C8 | C9 | C30 | H301 | 180.0° | 90.0° |
| C8 | C9 | C30 | H302 | 54.8° | 150.0° |
| C8 | C9 | C30 | H303 | 54.7° | 30.0° |
| H81 | C8 | C9 | N1 | 179.1° | 179.8° |
| H81 | C8 | C9 | C30 | 0.5° | 0.1° |
| C9 | N1 | C28 | C27 | 178.1° | 90.3° |
| C9 | N1 | C28 | H281 | 56.6° | 29.7° |
| C9 | N1 | C28 | H282 | 52.9° | 149.7° |
| N1 | C9 | C30 | H301 | 1.5° | 90.3° |
| N1 | C9 | C30 | H302 | 126.7° | 29.7° |
| N1 | C9 | C30 | H303 | 123.7° | 149.8° |
| C30 | C9 | N1 | C28 | 0.5° | 0.0° |
| C9 | C30 | H301 | H302 | 125.2° | 120.0° |
| C9 | C30 | H301 | H303 | 125.3° | 120.1° |
| C9 | C30 | H302 | H303 | 115.8° | 120.1° |
| N1 | C28 | C27 | C26 | 176.5° | 180.0° |
| N1 | C28 | C27 | H281 | 125.3° | 120.0° |
| N1 | C28 | C27 | H282 | 125.3° | 120.0° |
| N1 | C28 | C27 | H271 | 58.3° | 60.0° |
| N1 | C28 | C27 | H272 | 51.2° | 60.0° |
| N1 | C28 | H281 | H282 | 113.5° | 120.1° |
| C11 | C10 | C14 | C15 | 178.4° | 179.8° |
| C10 | C11 | N2 | C18 | 178.8° | 179.3° |
| C10 | C11 | N2 | C12 | 2.4° | 0.5° |
| C10 | C11 | N2 | C19 | 163.5° | 179.8° |
| C11 | C10 | C14 | C13 | 0.5° | 0.2° |
| C11 | C10 | C14 | N3 | 179.9° | 179.8° |
| C11 | C10 | C15 | C16 | 0.9° | 0.2° |
| C11 | C10 | C15 | H151 | 179.0° | 179.9° |
| C10 | C11 | C18 | C17 | 1.0° | 0.4° |
| C10 | C11 | C18 | H181 | 179.1° | 179.8° |
| C14 | C10 | C11 | N2 | 1.7° | 0.5° |
| C14 | C10 | C11 | C18 | 179.4° | 179.8° |
| C10 | C14 | C13 | C12 | 0.3° | 0.0° |
| C10 | C14 | C13 | N3 | 179.5° | 180.0° |
| C10 | C14 | C13 | H131 | 179.7° | 180.0° |
| C14 | C10 | C15 | C16 | 179.3° | 180.0° |
| C14 | C10 | C15 | H151 | 0.6° | 0.1° |
| C10 | C14 | N3 | HN31 | 180.0° | 180.0° |
| C10 | C14 | N3 | HN32 | 54.8° | 0.1° |
| C15 | C10 | C11 | N2 | 179.9° | 179.8° |
| C15 | C10 | C11 | C18 | 1.0° | 0.4° |
| C15 | C10 | C14 | C13 | 178.9° | 180.0° |
| C15 | C10 | C14 | N3 | 1.7° | 0.0° |
| C10 | C15 | C16 | H151 | 180.0° | 179.9° |
| C10 | C15 | C16 | C17 | 0.6° | 0.0° |
| C10 | C15 | C16 | H161 | 179.4° | 179.9° |
| C11 | N2 | C12 | C19 | 168.8° | 179.7° |
| C11 | N2 | C12 | C13 | 2.4° | 0.3° |
| C11 | N2 | C12 | C29 | 179.2° | 179.7° |
| N2 | C11 | C18 | C17 | 179.8° | 179.8° |
| N2 | C11 | C18 | H181 | 0.2° | 0.4° |
| C11 | N2 | C19 | C20 | 3.4° | 90.2° |
| C11 | N2 | C19 | H191 | 128.8° | 149.7° |
| C11 | N2 | C19 | H192 | 121.8° | 29.7° |
| C18 | C11 | N2 | C12 | 178.8° | 179.8° |
| C18 | C11 | N2 | C19 | 15.2° | 0.5° |
| C11 | C18 | C17 | C16 | 0.7° | 0.2° |
| C11 | C18 | C17 | H181 | 180.0° | 179.8° |
| C11 | C18 | C17 | H171 | 179.2° | 179.8° |
| N2 | C12 | C13 | C29 | 178.5° | 180.0° |
| N2 | C12 | C13 | C14 | 1.4° | 0.0° |
| N2 | C12 | C13 | H131 | 178.6° | 180.0° |
| C12 | N2 | C19 | C20 | 162.3° | 90.0° |
| C12 | N2 | C19 | H191 | 37.0° | 30.0° |
| C12 | N2 | C19 | H192 | 72.4° | 150.0° |
| N2 | C12 | C29 | H291 | 180.0° | 90.1° |
| N2 | C12 | C29 | H292 | 54.8° | 150.0° |
| N2 | C12 | C29 | H293 | 54.7° | 30.0° |
| C19 | N2 | C12 | C13 | 166.5° | 180.0° |
| C19 | N2 | C12 | C29 | 12.0° | 0.0° |
| N2 | C19 | C20 | H191 | 125.3° | 120.1° |
| N2 | C19 | C20 | H192 | 125.2° | 120.0° |
| N2 | C19 | H191 | H192 | 121.7° | 120.0° |
| N2 | C19 | C20 | C21 | 177.9° | 180.0° |
| N2 | C19 | C20 | H201 | 56.9° | 60.0° |
| N2 | C19 | C20 | H202 | 52.6° | 60.1° |
| C12 | C13 | C14 | H131 | 179.9° | 180.0° |
| C12 | C13 | C14 | N3 | 179.8° | 180.0° |
| C13 | C12 | C29 | H291 | 1.5° | 89.9° |
| C13 | C12 | C29 | H292 | 126.7° | 30.0° |
| C13 | C12 | C29 | H293 | 123.8° | 150.0° |
| C29 | C12 | C13 | C14 | 179.9° | 180.0° |
| C29 | C12 | C13 | H131 | 0.1° | 0.0° |
| C12 | C29 | H291 | H292 | 125.3° | 120.0° |
| C12 | C29 | H291 | H293 | 125.3° | 120.1° |
| C12 | C29 | H292 | H293 | 113.4° | 120.0° |
| C13 | C14 | N3 | HN31 | 0.6° | 0.0° |
| C13 | C14 | N3 | HN32 | 125.8° | 180.0° |
| H131 | C13 | C14 | N3 | 0.2° | 0.0° |
| C14 | N3 | HN31 | HN32 | 125.2° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | C17 | H171 | 179.4° | 180.0° |
| H151 | C15 | C16 | C17 | 179.3° | 179.9° |
| H151 | C15 | C16 | H161 | 0.6° | 0.0° |
| C16 | C17 | C18 | H171 | 179.9° | 180.0° |
| C16 | C17 | C18 | H181 | 179.3° | 180.0° |
| H161 | C16 | C17 | C18 | 179.5° | 179.9° |
| H161 | C16 | C17 | H171 | 0.6° | 0.1° |
| H171 | C17 | C18 | H181 | 0.8° | 0.0° |
| C20 | C19 | H191 | H192 | 121.8° | 120.0° |
| C19 | C20 | C21 | H201 | 125.2° | 120.0° |
| C19 | C20 | C21 | H202 | 125.2° | 120.0° |
| C19 | C20 | H201 | H202 | 117.1° | 120.0° |
| C19 | C20 | C21 | C22 | 179.2° | 180.0° |
| C19 | C20 | C21 | H211 | 53.8° | 60.0° |
| C19 | C20 | C21 | H212 | 55.5° | 60.1° |
| H191 | C19 | C20 | C21 | 52.6° | 60.0° |
| H191 | C19 | C20 | H201 | 177.9° | 180.0° |
| H191 | C19 | C20 | H202 | 72.7° | 60.0° |
| H192 | C19 | C20 | C21 | 56.9° | 60.0° |
| H192 | C19 | C20 | H201 | 68.3° | 60.0° |
| H192 | C19 | C20 | H202 | 177.8° | 180.0° |
| C21 | C20 | H201 | H202 | 117.3° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | C22 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H212 | 118.6° | 120.1° |
| C20 | C21 | C22 | C23 | 178.3° | 180.0° |
| C20 | C21 | C22 | H221 | 56.4° | 60.0° |
| C20 | C21 | C22 | H222 | 53.0° | 60.0° |
| H201 | C20 | C21 | C22 | 55.6° | 60.0° |
| H201 | C20 | C21 | H211 | 179.1° | 180.0° |
| H201 | C20 | C21 | H212 | 69.7° | 59.9° |
| H202 | C20 | C21 | C22 | 53.9° | 60.0° |
| H202 | C20 | C21 | H211 | 71.4° | 59.9° |
| H202 | C20 | C21 | H212 | 179.2° | 180.0° |
| C22 | C21 | H211 | H212 | 118.7° | 119.9° |
| C21 | C22 | C23 | H221 | 125.2° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 116.2° | 120.0° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C21 | C22 | C23 | H231 | 55.0° | 60.0° |
| C21 | C22 | C23 | H232 | 54.4° | 60.0° |
| H211 | C21 | C22 | C23 | 53.0° | 60.0° |
| H211 | C21 | C22 | H221 | 178.3° | 180.0° |
| H211 | C21 | C22 | H222 | 72.3° | 60.0° |
| H212 | C21 | C22 | C23 | 56.4° | 60.0° |
| H212 | C21 | C22 | H221 | 68.8° | 60.0° |
| H212 | C21 | C22 | H222 | 178.3° | 180.0° |
| C23 | C22 | H221 | H222 | 116.3° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 118.7° | 120.0° |
| C22 | C23 | C24 | C25 | 179.2° | 180.0° |
| C22 | C23 | C24 | H241 | 55.6° | 60.0° |
| C22 | C23 | C24 | H242 | 53.9° | 60.0° |
| H221 | C22 | C23 | C24 | 54.5° | 60.0° |
| H221 | C22 | C23 | H231 | 179.8° | 180.0° |
| H221 | C22 | C23 | H232 | 70.8° | 60.0° |
| H222 | C22 | C23 | C24 | 55.0° | 60.0° |
| H222 | C22 | C23 | H231 | 70.3° | 60.0° |
| H222 | C22 | C23 | H232 | 179.7° | 180.0° |
| C24 | C23 | H231 | H232 | 118.8° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.1° |
| C23 | C24 | C25 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H242 | 116.7° | 120.0° |
| C23 | C24 | C25 | C26 | 178.2° | 180.0° |
| C23 | C24 | C25 | H251 | 56.5° | 60.0° |
| C23 | C24 | C25 | H252 | 53.0° | 60.1° |
| H231 | C23 | C24 | C25 | 53.9° | 60.0° |
| H231 | C23 | C24 | H241 | 179.2° | 180.0° |
| H231 | C23 | C24 | H242 | 71.4° | 60.0° |
| H232 | C23 | C24 | C25 | 55.6° | 60.0° |
| H232 | C23 | C24 | H241 | 69.7° | 60.0° |
| H232 | C23 | C24 | H242 | 179.1° | 180.0° |
| C25 | C24 | H241 | H242 | 116.8° | 120.0° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 119.9° |
| C24 | C25 | H251 | H252 | 116.9° | 120.0° |
| C24 | C25 | C26 | C27 | 45.3° | 180.0° |
| C24 | C25 | C26 | H261 | 170.6° | 60.0° |
| C24 | C25 | C26 | H262 | 79.9° | 60.1° |
| H241 | C24 | C25 | C26 | 53.0° | 59.9° |
| H241 | C24 | C25 | H251 | 178.3° | 180.0° |
| H241 | C24 | C25 | H252 | 72.3° | 60.0° |
| H242 | C24 | C25 | C26 | 56.5° | 60.0° |
| H242 | C24 | C25 | H251 | 68.8° | 60.0° |
| H242 | C24 | C25 | H252 | 178.2° | 180.0° |
| C26 | C25 | H251 | H252 | 117.0° | 120.0° |
| C25 | C26 | C27 | H261 | 125.3° | 120.0° |
| C25 | C26 | C27 | H262 | 125.2° | 120.0° |
| C25 | C26 | H261 | H262 | 102.1° | 120.0° |
| C25 | C26 | C27 | C28 | 161.5° | 180.0° |
| C25 | C26 | C27 | H271 | 36.2° | 60.0° |
| C25 | C26 | C27 | H272 | 73.2° | 60.0° |
| H251 | C25 | C26 | C27 | 79.9° | 60.0° |
| H251 | C25 | C26 | H261 | 45.4° | 180.0° |
| H251 | C25 | C26 | H262 | 154.8° | 59.9° |
| H252 | C25 | C26 | C27 | 170.6° | 60.0° |
| H252 | C25 | C26 | H261 | 64.1° | 59.9° |
| H252 | C25 | C26 | H262 | 45.3° | 180.0° |
| C27 | C26 | H261 | H262 | 102.2° | 120.0° |
| C26 | C27 | C28 | H271 | 125.2° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H272 | 117.6° | 120.0° |
| C26 | C27 | C28 | H281 | 58.3° | 60.0° |
| C26 | C27 | C28 | H282 | 51.2° | 60.0° |
| H261 | C26 | C27 | C28 | 73.2° | 60.0° |
| H261 | C26 | C27 | H271 | 161.5° | 180.0° |
| H261 | C26 | C27 | H272 | 52.0° | 60.0° |
| H262 | C26 | C27 | C28 | 36.3° | 60.0° |
| H262 | C26 | C27 | H271 | 89.0° | 60.0° |
| H262 | C26 | C27 | H272 | 161.5° | 180.0° |
| C28 | C27 | H271 | H272 | 117.6° | 120.0° |
| C27 | C28 | H281 | H282 | 113.4° | 119.9° |
| H271 | C27 | C28 | H281 | 67.0° | 180.0° |
| H271 | C27 | C28 | H282 | 176.4° | 60.0° |
| H272 | C27 | C28 | H281 | 176.5° | 60.0° |
| H272 | C27 | C28 | H282 | 74.1° | 180.0° |
| H301 | C30 | H302 | H303 | 115.8° | 119.9° |
| H291 | C29 | H292 | H293 | 113.4° | 120.0° |
