POO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | N3 | sing | 1.47Å | 1.49Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| N3 | C31 | sing | 1.47Å | 1.49Å | |
| N3 | C27 | sing | 1.47Å | 1.49Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.12Å | |
| C25 | N2 | sing | 1.46Å | 1.47Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| N2 | C24 | sing | 1.47Å | 1.47Å | |
| N2 | C23 | sing | 1.35Å | 1.37Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C23 | O3 | doub | 1.21Å | 1.24Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | N1 | sing | 1.46Å | 1.49Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| N1 | C1 | sing | 1.38Å | 1.34Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.35Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | C8 | sing | 1.47Å | 1.53Å | |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | O2 | doub | 1.22Å | 1.22Å | |
| C8 | O1 | sing | 1.35Å | 1.24Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C2 | C7 | sing | 1.42Å | 1.39Å | Aromatic |
| C7 | C16 | sing | 1.51Å | 1.55Å | |
| C7 | C9 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C19 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.48Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C26 | 110.0° | 108.9° |
| C29 | C28 | H281 | 112.0° | 109.6° |
| C29 | C28 | H282 | 112.1° | 109.6° |
| C28 | C29 | C30 | 112.7° | 109.1° |
| C28 | C29 | H291 | 111.1° | 109.5° |
| C28 | C29 | H292 | 111.1° | 109.5° |
| C26 | C28 | H281 | 112.0° | 109.6° |
| C26 | C28 | H282 | 112.0° | 109.5° |
| C28 | C26 | C27 | 110.9° | 109.2° |
| C28 | C26 | C25 | 112.2° | 109.5° |
| C28 | C26 | H26 | 108.1° | 109.5° |
| H281 | C28 | H282 | 98.4° | 109.6° |
| C30 | C29 | H291 | 111.0° | 109.5° |
| C30 | C29 | H292 | 111.0° | 109.5° |
| C29 | C30 | N3 | 113.0° | 109.8° |
| C29 | C30 | H301 | 110.9° | 109.4° |
| C29 | C30 | H302 | 110.9° | 109.5° |
| H291 | C29 | H292 | 99.3° | 109.6° |
| N3 | C30 | H301 | 110.9° | 109.4° |
| N3 | C30 | H302 | 110.9° | 109.5° |
| C30 | N3 | C31 | 111.5° | 106.7° |
| C30 | N3 | C27 | 114.4° | 107.3° |
| H301 | C30 | H302 | 99.4° | 109.3° |
| C31 | N3 | C27 | 108.3° | 106.7° |
| N3 | C31 | H311 | 111.5° | 109.5° |
| N3 | C31 | H312 | 111.5° | 109.5° |
| N3 | C31 | H313 | 111.4° | 109.4° |
| N3 | C27 | C26 | 111.2° | 109.8° |
| N3 | C27 | H271 | 111.6° | 109.4° |
| N3 | C27 | H272 | 111.5° | 109.5° |
| H311 | C31 | H312 | 111.4° | 109.5° |
| H311 | C31 | H313 | 111.5° | 109.5° |
| H312 | C31 | H313 | 98.9° | 109.5° |
| C26 | C27 | H271 | 111.6° | 109.5° |
| C26 | C27 | H272 | 111.6° | 109.4° |
| C27 | C26 | C25 | 109.4° | 109.5° |
| C27 | C26 | H26 | 108.0° | 109.5° |
| H271 | C27 | H272 | 98.8° | 109.3° |
| C25 | C26 | H26 | 108.1° | 109.5° |
| C26 | C25 | N2 | 102.9° | 109.5° |
| C26 | C25 | H251 | 114.7° | 109.4° |
| C26 | C25 | H252 | 114.7° | 109.5° |
| N2 | C25 | H251 | 114.7° | 109.5° |
| N2 | C25 | H252 | 114.7° | 109.4° |
| C25 | N2 | C24 | 121.4° | 120.0° |
| C25 | N2 | C23 | 119.0° | 120.0° |
| H251 | C25 | H252 | 95.7° | 109.4° |
| C24 | N2 | C23 | 119.6° | 120.0° |
| N2 | C24 | H241 | 121.4° | 109.5° |
| N2 | C24 | H242 | 108.0° | 109.5° |
| N2 | C24 | H243 | 107.9° | 109.5° |
| N2 | C23 | O3 | 122.9° | 120.0° |
| N2 | C23 | C22 | 118.9° | 120.0° |
| H241 | C24 | H242 | 107.9° | 109.5° |
| H241 | C24 | H243 | 107.9° | 109.5° |
| H242 | C24 | H243 | 101.9° | 109.5° |
| O3 | C23 | C22 | 118.2° | 120.0° |
| C23 | C22 | N1 | 109.8° | 109.4° |
| C23 | C22 | H221 | 112.1° | 109.5° |
| C23 | C22 | H222 | 112.1° | 109.4° |
| N1 | C22 | H221 | 112.1° | 109.5° |
| N1 | C22 | H222 | 112.1° | 109.5° |
| C22 | N1 | C1 | 125.2° | 125.6° |
| C22 | N1 | C9 | 123.0° | 125.6° |
| H221 | C22 | H222 | 98.3° | 109.4° |
| C1 | N1 | C9 | 111.6° | 108.8° |
| N1 | C1 | C6 | 133.0° | 133.1° |
| N1 | C1 | C2 | 106.7° | 107.3° |
| N1 | C9 | C7 | 106.6° | 109.4° |
| N1 | C9 | C10 | 126.3° | 125.3° |
| C6 | C1 | C2 | 120.3° | 119.6° |
| C1 | C6 | C5 | 120.2° | 119.7° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | C7 | 107.3° | 106.8° |
| C5 | C6 | H6 | 119.9° | 120.2° |
| C6 | C5 | C8 | 121.0° | 119.9° |
| C6 | C5 | C4 | 119.1° | 120.3° |
| C8 | C5 | C4 | 119.9° | 119.8° |
| C5 | C8 | O2 | 119.4° | 120.0° |
| C5 | C8 | O1 | 121.8° | 120.0° |
| C5 | C4 | C3 | 120.2° | 120.4° |
| C5 | C4 | H4 | 119.9° | 119.8° |
| O2 | C8 | O1 | 118.7° | 120.0° |
| C8 | O1 | H1 | 121.8° | 120.0° |
| C3 | C4 | H4 | 119.9° | 119.8° |
| C4 | C3 | C2 | 120.5° | 120.1° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C2 | C7 | 133.0° | 133.3° |
| C2 | C7 | C16 | 125.2° | 126.1° |
| C2 | C7 | C9 | 107.7° | 107.8° |
| C16 | C7 | C9 | 127.1° | 126.1° |
| C7 | C16 | C17 | 112.2° | 109.4° |
| C7 | C16 | C18 | 107.6° | 109.5° |
| C7 | C16 | H16 | 109.4° | 109.5° |
| C7 | C9 | C10 | 127.0° | 125.4° |
| C17 | C16 | C18 | 108.7° | 109.4° |
| C17 | C16 | H16 | 109.4° | 109.5° |
| C16 | C17 | C20 | 111.2° | 109.5° |
| C16 | C17 | H171 | 111.5° | 109.5° |
| C16 | C17 | H172 | 111.6° | 109.5° |
| C18 | C16 | H16 | 109.4° | 109.4° |
| C16 | C18 | C19 | 114.8° | 109.5° |
| C16 | C18 | H181 | 110.3° | 109.4° |
| C16 | C18 | H182 | 110.3° | 109.4° |
| C20 | C17 | H171 | 111.6° | 109.4° |
| C20 | C17 | H172 | 111.5° | 109.4° |
| C17 | C20 | C21 | 110.3° | 109.4° |
| C17 | C20 | H201 | 111.9° | 109.4° |
| C17 | C20 | H202 | 111.9° | 109.5° |
| H171 | C17 | H172 | 98.8° | 109.5° |
| C21 | C20 | H201 | 111.9° | 109.5° |
| C21 | C20 | H202 | 111.9° | 109.5° |
| C20 | C21 | C19 | 105.3° | 109.5° |
| C20 | C21 | H211 | 113.8° | 109.5° |
| C20 | C21 | H212 | 113.8° | 109.5° |
| H201 | C20 | H202 | 98.5° | 109.5° |
| C19 | C21 | H211 | 113.8° | 109.4° |
| C19 | C21 | H212 | 113.8° | 109.5° |
| C21 | C19 | C18 | 111.2° | 109.4° |
| C21 | C19 | H191 | 111.5° | 109.5° |
| C21 | C19 | H192 | 111.5° | 109.4° |
| H211 | C21 | H212 | 96.7° | 109.4° |
| C18 | C19 | H191 | 111.6° | 109.5° |
| C18 | C19 | H192 | 111.6° | 109.6° |
| C19 | C18 | H181 | 110.3° | 109.5° |
| C19 | C18 | H182 | 110.2° | 109.5° |
| H191 | C19 | H192 | 98.8° | 109.4° |
| H181 | C18 | H182 | 100.0° | 109.5° |
| C9 | C10 | C11 | 120.5° | 120.2° |
| C9 | C10 | C15 | 121.5° | 120.1° |
| C11 | C10 | C15 | 117.9° | 119.7° |
| C10 | C11 | C12 | 122.1° | 119.9° |
| C10 | C11 | H11 | 119.0° | 120.1° |
| C10 | C15 | C14 | 120.8° | 119.9° |
| C10 | C15 | H15 | 119.6° | 120.1° |
| C12 | C11 | H11 | 118.9° | 120.0° |
| C11 | C12 | C13 | 119.2° | 120.1° |
| C11 | C12 | H12 | 120.4° | 119.9° |
| C13 | C12 | H12 | 120.4° | 120.0° |
| C12 | C13 | C14 | 118.9° | 120.3° |
| C12 | C13 | H13 | 120.6° | 119.8° |
| C14 | C13 | H13 | 120.6° | 119.9° |
| C13 | C14 | C15 | 121.0° | 120.2° |
| C13 | C14 | H14 | 119.5° | 119.9° |
| C15 | C14 | H14 | 119.5° | 119.9° |
| C14 | C15 | H15 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C26 | H281 | 125.3° | 119.9° |
| C29 | C28 | C26 | H282 | 125.3° | 119.8° |
| C29 | C28 | H281 | H282 | 118.0° | 120.3° |
| C28 | C29 | C30 | H291 | 125.3° | 119.9° |
| C28 | C29 | C30 | H292 | 125.3° | 119.9° |
| C28 | C29 | H291 | H292 | 117.0° | 120.2° |
| C28 | C29 | C30 | N3 | 47.7° | 61.4° |
| C28 | C29 | C30 | H301 | 77.6° | 178.5° |
| C28 | C29 | C30 | H302 | 173.0° | 58.8° |
| C29 | C28 | C26 | C27 | 57.2° | 55.6° |
| C29 | C28 | C26 | C25 | 179.9° | 175.5° |
| C29 | C28 | C26 | H26 | 61.0° | 64.3° |
| C26 | C28 | H281 | H282 | 117.9° | 120.2° |
| C26 | C28 | C29 | C30 | 5.1° | 55.6° |
| C26 | C28 | C29 | H291 | 120.1° | 64.3° |
| C26 | C28 | C29 | H292 | 130.4° | 175.5° |
| C28 | C26 | C27 | N3 | 57.4° | 61.4° |
| C28 | C26 | C27 | C25 | 124.3° | 120.0° |
| C28 | C26 | C27 | H26 | 118.3° | 119.9° |
| C28 | C26 | C27 | H271 | 67.8° | 58.7° |
| C28 | C26 | C27 | H272 | 177.3° | 178.5° |
| C28 | C26 | C25 | H26 | 119.1° | 120.1° |
| C28 | C26 | C25 | N2 | 147.2° | 180.0° |
| C28 | C26 | C25 | H251 | 87.6° | 59.9° |
| C28 | C26 | C25 | H252 | 21.9° | 60.0° |
| H281 | C28 | C29 | C30 | 120.2° | 175.4° |
| H281 | C28 | C29 | H291 | 114.6° | 55.6° |
| H281 | C28 | C29 | H292 | 5.1° | 64.7° |
| H281 | C28 | C26 | C27 | 68.1° | 175.4° |
| H281 | C28 | C26 | C25 | 54.6° | 64.6° |
| H281 | C28 | C26 | H26 | 173.7° | 55.5° |
| H282 | C28 | C29 | C30 | 130.4° | 64.2° |
| H282 | C28 | C29 | H291 | 5.1° | 175.9° |
| H282 | C28 | C29 | H292 | 104.4° | 55.6° |
| H282 | C28 | C26 | C27 | 177.5° | 64.3° |
| H282 | C28 | C26 | C25 | 54.8° | 55.7° |
| H282 | C28 | C26 | H26 | 64.3° | 175.8° |
| C30 | C29 | H291 | H292 | 116.9° | 120.2° |
| C29 | C30 | N3 | H301 | 125.3° | 120.0° |
| C29 | C30 | N3 | H302 | 125.3° | 120.2° |
| C29 | C30 | H301 | H302 | 116.8° | 119.9° |
| C29 | C30 | N3 | C31 | 74.3° | 179.8° |
| C29 | C30 | N3 | C27 | 49.1° | 65.7° |
| H291 | C29 | C30 | N3 | 173.0° | 58.4° |
| H291 | C29 | C30 | H301 | 47.7° | 61.6° |
| H291 | C29 | C30 | H302 | 61.7° | 178.6° |
| H292 | C29 | C30 | N3 | 77.6° | 178.7° |
| H292 | C29 | C30 | H301 | 157.2° | 58.6° |
| H292 | C29 | C30 | H302 | 47.7° | 61.1° |
| N3 | C30 | H301 | H302 | 116.8° | 119.8° |
| C30 | N3 | C31 | C27 | 126.8° | 114.5° |
| C30 | N3 | C31 | H311 | 180.0° | 66.2° |
| C30 | N3 | C31 | H312 | 54.7° | 173.7° |
| C30 | N3 | C31 | H313 | 54.7° | 53.8° |
| C30 | N3 | C27 | C26 | 3.1° | 65.7° |
| C30 | N3 | C27 | H271 | 122.1° | 54.5° |
| C30 | N3 | C27 | H272 | 128.4° | 174.2° |
| H301 | C30 | N3 | C31 | 160.5° | 60.2° |
| H301 | C30 | N3 | C27 | 76.2° | 174.2° |
| H302 | C30 | N3 | C31 | 51.0° | 59.6° |
| H302 | C30 | N3 | C27 | 174.4° | 54.5° |
| N3 | C31 | H311 | H312 | 125.3° | 120.0° |
| N3 | C31 | H311 | H313 | 125.3° | 120.0° |
| N3 | C31 | H312 | H313 | 117.3° | 120.0° |
| C31 | N3 | C27 | C26 | 128.2° | 179.7° |
| C31 | N3 | C27 | H271 | 2.9° | 59.6° |
| C31 | N3 | C27 | H272 | 106.6° | 60.2° |
| C27 | N3 | C31 | H311 | 53.3° | 179.3° |
| C27 | N3 | C31 | H312 | 178.5° | 59.3° |
| C27 | N3 | C31 | H313 | 72.0° | 60.7° |
| N3 | C27 | C26 | H271 | 125.3° | 120.1° |
| N3 | C27 | C26 | H272 | 125.2° | 120.2° |
| N3 | C27 | H271 | H272 | 117.4° | 119.9° |
| N3 | C27 | C26 | C25 | 178.3° | 178.7° |
| N3 | C27 | C26 | H26 | 60.8° | 58.5° |
| H311 | C31 | H312 | H313 | 117.4° | 120.0° |
| C26 | C27 | H271 | H272 | 117.5° | 119.8° |
| C27 | C26 | C25 | H26 | 117.4° | 120.1° |
| C27 | C26 | C25 | N2 | 89.3° | 60.2° |
| C27 | C26 | C25 | H251 | 36.0° | 179.7° |
| C27 | C26 | C25 | H252 | 145.4° | 59.7° |
| H271 | C27 | C26 | C25 | 56.5° | 61.2° |
| H271 | C27 | C26 | H26 | 173.9° | 178.6° |
| H272 | C27 | C26 | C25 | 53.0° | 58.5° |
| H272 | C27 | C26 | H26 | 64.4° | 61.6° |
| C26 | C25 | N2 | H251 | 125.3° | 120.0° |
| C26 | C25 | N2 | H252 | 125.3° | 120.0° |
| C26 | C25 | H251 | H252 | 120.6° | 120.0° |
| C26 | C25 | N2 | C24 | 95.7° | 90.0° |
| C26 | C25 | N2 | C23 | 82.0° | 90.0° |
| H26 | C26 | C25 | N2 | 28.1° | 59.9° |
| H26 | C26 | C25 | H251 | 153.4° | 60.2° |
| H26 | C26 | C25 | H252 | 97.2° | 179.9° |
| N2 | C25 | H251 | H252 | 120.6° | 120.0° |
| C25 | N2 | C24 | C23 | 177.7° | 180.0° |
| C25 | N2 | C24 | H241 | 180.0° | 180.0° |
| C25 | N2 | C24 | H242 | 54.7° | 60.0° |
| C25 | N2 | C24 | H243 | 54.8° | 60.0° |
| C25 | N2 | C23 | O3 | 1.6° | 0.0° |
| C25 | N2 | C23 | C22 | 178.0° | 179.9° |
| H251 | C25 | N2 | C24 | 29.6° | 30.0° |
| H251 | C25 | N2 | C23 | 152.7° | 150.0° |
| H252 | C25 | N2 | C24 | 139.0° | 150.0° |
| H252 | C25 | N2 | C23 | 43.3° | 30.0° |
| N2 | C24 | H241 | H242 | 125.3° | 120.0° |
| N2 | C24 | H241 | H243 | 125.2° | 120.0° |
| N2 | C24 | H242 | H243 | 113.6° | 120.0° |
| C24 | N2 | C23 | O3 | 179.4° | 180.0° |
| C24 | N2 | C23 | C22 | 0.2° | 0.0° |
| C23 | N2 | C24 | H241 | 2.3° | 0.0° |
| C23 | N2 | C24 | H242 | 123.0° | 120.0° |
| C23 | N2 | C24 | H243 | 127.5° | 120.0° |
| N2 | C23 | O3 | C22 | 179.5° | 179.9° |
| N2 | C23 | C22 | N1 | 177.9° | 180.0° |
| N2 | C23 | C22 | H221 | 56.9° | 59.9° |
| N2 | C23 | C22 | H222 | 52.6° | 60.0° |
| H241 | C24 | H242 | H243 | 113.5° | 120.0° |
| O3 | C23 | C22 | N1 | 2.6° | 0.0° |
| O3 | C23 | C22 | H221 | 122.7° | 120.0° |
| O3 | C23 | C22 | H222 | 127.9° | 120.0° |
| C23 | C22 | N1 | H221 | 125.3° | 120.0° |
| C23 | C22 | N1 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 118.0° | 119.9° |
| C23 | C22 | N1 | C1 | 61.0° | 90.1° |
| C23 | C22 | N1 | C9 | 114.8° | 90.3° |
| N1 | C22 | H221 | H222 | 118.0° | 120.0° |
| C22 | N1 | C1 | C9 | 176.2° | 179.6° |
| C22 | N1 | C1 | C6 | 3.3° | 0.2° |
| C22 | N1 | C1 | C2 | 178.0° | 179.9° |
| C22 | N1 | C9 | C7 | 179.0° | 179.9° |
| C22 | N1 | C9 | C10 | 4.8° | 0.3° |
| H221 | C22 | N1 | C1 | 64.2° | 29.9° |
| H221 | C22 | N1 | C9 | 120.0° | 149.7° |
| H222 | C22 | N1 | C1 | 173.7° | 149.9° |
| H222 | C22 | N1 | C9 | 10.5° | 29.7° |
| N1 | C1 | C6 | C2 | 178.6° | 179.9° |
| N1 | C1 | C6 | C5 | 178.4° | 179.9° |
| N1 | C1 | C6 | H6 | 1.6° | 0.1° |
| N1 | C1 | C2 | C3 | 177.6° | 180.0° |
| N1 | C1 | C2 | C7 | 0.1° | 0.1° |
| C1 | N1 | C9 | C7 | 2.7° | 0.5° |
| C1 | N1 | C9 | C10 | 178.8° | 179.9° |
| C9 | N1 | C1 | C6 | 179.6° | 179.8° |
| C9 | N1 | C1 | C2 | 1.7° | 0.3° |
| N1 | C9 | C7 | C2 | 2.5° | 0.4° |
| N1 | C9 | C7 | C16 | 177.4° | 179.8° |
| N1 | C9 | C7 | C10 | 176.1° | 179.6° |
| N1 | C9 | C10 | C11 | 126.4° | 60.5° |
| N1 | C9 | C10 | C15 | 48.7° | 119.3° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C8 | 179.5° | 180.0° |
| C1 | C6 | C5 | C4 | 1.2° | 0.0° |
| C6 | C1 | C2 | C3 | 1.3° | 0.1° |
| C6 | C1 | C2 | C7 | 179.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 1.0° | 0.1° |
| C1 | C2 | C3 | C7 | 177.0° | 179.9° |
| C1 | C2 | C3 | H3 | 179.0° | 180.0° |
| C1 | C2 | C7 | C16 | 178.5° | 180.0° |
| C1 | C2 | C7 | C9 | 1.5° | 0.2° |
| C6 | C5 | C8 | C4 | 178.3° | 180.0° |
| C6 | C5 | C8 | O2 | 2.7° | 0.0° |
| C6 | C5 | C8 | O1 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 1.5° | 0.0° |
| C6 | C5 | C4 | H4 | 178.5° | 179.9° |
| H6 | C6 | C5 | C8 | 0.5° | 0.0° |
| H6 | C6 | C5 | C4 | 178.8° | 180.0° |
| C5 | C8 | O2 | O1 | 176.8° | 179.9° |
| C5 | C8 | O1 | H1 | 180.0° | 180.0° |
| C8 | C5 | C4 | C3 | 179.8° | 180.0° |
| C8 | C5 | C4 | H4 | 0.2° | 0.1° |
| C4 | C5 | C8 | O2 | 175.6° | 180.0° |
| C4 | C5 | C8 | O1 | 1.1° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C5 | C4 | C3 | H3 | 179.7° | 180.0° |
| O2 | C8 | O1 | H1 | 3.3° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 178.0° | 180.0° |
| H4 | C4 | C3 | C2 | 179.6° | 180.0° |
| H4 | C4 | C3 | H3 | 0.3° | 0.1° |
| C3 | C2 | C7 | C16 | 1.2° | 0.0° |
| C3 | C2 | C7 | C9 | 178.8° | 179.7° |
| H3 | C3 | C2 | C7 | 1.9° | 0.0° |
| C2 | C7 | C16 | C9 | 180.0° | 179.7° |
| C2 | C7 | C16 | C17 | 53.4° | 60.0° |
| C2 | C7 | C16 | C18 | 66.1° | 59.9° |
| C2 | C7 | C16 | H16 | 175.1° | 179.9° |
| C2 | C7 | C9 | C10 | 178.7° | 180.0° |
| C7 | C16 | C17 | C18 | 118.9° | 120.0° |
| C7 | C16 | C17 | H16 | 121.7° | 120.1° |
| C7 | C16 | C18 | H16 | 118.8° | 120.1° |
| C7 | C16 | C17 | C20 | 172.2° | 180.0° |
| C7 | C16 | C17 | H171 | 62.6° | 60.0° |
| C7 | C16 | C17 | H172 | 46.9° | 60.0° |
| C7 | C16 | C18 | C19 | 170.1° | 180.0° |
| C7 | C16 | C18 | H181 | 44.9° | 59.9° |
| C7 | C16 | C18 | H182 | 64.6° | 60.0° |
| C16 | C7 | C9 | C10 | 1.3° | 0.2° |
| C9 | C7 | C16 | C17 | 126.6° | 120.3° |
| C9 | C7 | C16 | C18 | 113.8° | 119.8° |
| C9 | C7 | C16 | H16 | 4.9° | 0.2° |
| C7 | C9 | C10 | C11 | 49.0° | 120.0° |
| C7 | C9 | C10 | C15 | 135.9° | 60.2° |
| C17 | C16 | C18 | H16 | 119.5° | 120.0° |
| C16 | C17 | C20 | H171 | 125.2° | 120.0° |
| C16 | C17 | C20 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 117.5° | 120.0° |
| C16 | C17 | C20 | C21 | 65.7° | 60.0° |
| C16 | C17 | C20 | H201 | 59.6° | 60.0° |
| C16 | C17 | C20 | H202 | 169.1° | 180.0° |
| C17 | C16 | C18 | C19 | 48.4° | 60.0° |
| C17 | C16 | C18 | H181 | 76.9° | 60.0° |
| C17 | C16 | C18 | H182 | 173.6° | 180.0° |
| C18 | C16 | C17 | C20 | 53.3° | 60.0° |
| C18 | C16 | C17 | H171 | 178.5° | 180.0° |
| C18 | C16 | C17 | H172 | 72.0° | 60.0° |
| C16 | C18 | C19 | C21 | 52.8° | 60.0° |
| C16 | C18 | C19 | H181 | 125.3° | 120.0° |
| C16 | C18 | C19 | H182 | 125.3° | 120.0° |
| C16 | C18 | C19 | H191 | 178.1° | 60.0° |
| C16 | C18 | C19 | H192 | 72.4° | 180.0° |
| C16 | C18 | H181 | H182 | 116.1° | 119.9° |
| H16 | C16 | C17 | C20 | 66.2° | 60.0° |
| H16 | C16 | C17 | H171 | 59.1° | 60.0° |
| H16 | C16 | C17 | H172 | 168.6° | 179.9° |
| H16 | C16 | C18 | C19 | 71.1° | 60.0° |
| H16 | C16 | C18 | H181 | 163.7° | 180.0° |
| H16 | C16 | C18 | H182 | 54.2° | 60.0° |
| C20 | C17 | H171 | H172 | 117.5° | 119.9° |
| C17 | C20 | C21 | H201 | 125.3° | 119.9° |
| C17 | C20 | C21 | H202 | 125.2° | 120.0° |
| C17 | C20 | H201 | H202 | 117.8° | 120.0° |
| C17 | C20 | C21 | C19 | 65.5° | 60.0° |
| C17 | C20 | C21 | H211 | 169.3° | 180.0° |
| C17 | C20 | C21 | H212 | 59.8° | 60.1° |
| H171 | C17 | C20 | C21 | 169.1° | 180.0° |
| H171 | C17 | C20 | H201 | 65.6° | 60.0° |
| H171 | C17 | C20 | H202 | 43.8° | 60.0° |
| H172 | C17 | C20 | C21 | 59.6° | 60.0° |
| H172 | C17 | C20 | H201 | 175.1° | 180.0° |
| H172 | C17 | C20 | H202 | 65.6° | 60.0° |
| C21 | C20 | H201 | H202 | 117.8° | 120.0° |
| C20 | C21 | C19 | H211 | 125.3° | 120.0° |
| C20 | C21 | C19 | H212 | 125.2° | 120.0° |
| C20 | C21 | H211 | H212 | 119.7° | 120.0° |
| C20 | C21 | C19 | C18 | 58.7° | 60.0° |
| C20 | C21 | C19 | H191 | 176.0° | 60.0° |
| C20 | C21 | C19 | H192 | 66.6° | 179.9° |
| H201 | C20 | C21 | C19 | 59.8° | 60.0° |
| H201 | C20 | C21 | H211 | 65.5° | 60.0° |
| H201 | C20 | C21 | H212 | 174.9° | 180.0° |
| H202 | C20 | C21 | C19 | 169.3° | 180.0° |
| H202 | C20 | C21 | H211 | 44.0° | 60.0° |
| H202 | C20 | C21 | H212 | 65.5° | 60.0° |
| C19 | C21 | H211 | H212 | 119.7° | 120.0° |
| C21 | C19 | C18 | H191 | 125.3° | 120.0° |
| C21 | C19 | C18 | H192 | 125.2° | 120.0° |
| C21 | C19 | H191 | H192 | 117.4° | 119.9° |
| C21 | C19 | C18 | H181 | 72.4° | 60.0° |
| C21 | C19 | C18 | H182 | 178.1° | 180.0° |
| H211 | C21 | C19 | C18 | 176.1° | 180.0° |
| H211 | C21 | C19 | H191 | 50.8° | 60.0° |
| H211 | C21 | C19 | H192 | 58.7° | 60.0° |
| H212 | C21 | C19 | C18 | 66.6° | 60.0° |
| H212 | C21 | C19 | H191 | 58.7° | 179.9° |
| H212 | C21 | C19 | H192 | 168.2° | 60.0° |
| C18 | C19 | H191 | H192 | 117.5° | 120.1° |
| C19 | C18 | H181 | H182 | 116.1° | 120.0° |
| H191 | C19 | C18 | H181 | 52.8° | 180.0° |
| H191 | C19 | C18 | H182 | 56.6° | 60.0° |
| H192 | C19 | C18 | H181 | 162.3° | 60.0° |
| H192 | C19 | C18 | H182 | 52.9° | 60.0° |
| C9 | C10 | C11 | C15 | 175.3° | 179.8° |
| C9 | C10 | C11 | C12 | 178.0° | 180.0° |
| C9 | C10 | C11 | H11 | 2.0° | 0.0° |
| C9 | C10 | C15 | C14 | 177.4° | 179.8° |
| C9 | C10 | C15 | H15 | 2.6° | 0.2° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.7° | 0.0° |
| C10 | C11 | C12 | H12 | 177.3° | 180.0° |
| C11 | C10 | C15 | C14 | 2.1° | 0.4° |
| C11 | C10 | C15 | H15 | 177.9° | 180.0° |
| C15 | C10 | C11 | C12 | 2.7° | 0.2° |
| C15 | C10 | C11 | H11 | 177.3° | 179.8° |
| C10 | C15 | C14 | C13 | 1.7° | 0.5° |
| C10 | C15 | C14 | H15 | 180.0° | 179.6° |
| C10 | C15 | C14 | H14 | 178.3° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.0° | 0.0° |
| C11 | C12 | C13 | H13 | 177.9° | 179.9° |
| H11 | C11 | C12 | C13 | 177.3° | 180.0° |
| H11 | C11 | C12 | H12 | 2.7° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.6° | 0.2° |
| C12 | C13 | C14 | H14 | 178.4° | 180.0° |
| H12 | C12 | C13 | C14 | 177.9° | 180.0° |
| H12 | C12 | C13 | H13 | 2.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 178.4° | 180.0° |
| H13 | C13 | C14 | C15 | 178.4° | 179.8° |
| H13 | C13 | C14 | H14 | 1.6° | 0.1° |
| H14 | C14 | C15 | H15 | 1.7° | 0.2° |
