IB8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C23 | sing | 1.53Å | 1.53Å | |
| C28 | O3 | sing | 1.43Å | 1.49Å | |
| C30 | N3 | sing | 1.47Å | 1.50Å | |
| C30 | C26 | sing | 1.53Å | 1.54Å | |
| N3 | C31 | sing | 1.47Å | 1.49Å | |
| N3 | C23 | sing | 1.47Å | 1.50Å | |
| C25 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C24 | sing | 1.47Å | 1.48Å | |
| N2 | C26 | sing | 1.47Å | 1.48Å | |
| C22 | N1 | sing | 1.47Å | 1.49Å | |
| C22 | C23 | sing | 1.52Å | 1.55Å | |
| N1 | C1 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C9 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.42Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.52Å | |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.27Å | |
| C8 | O1 | doub | 1.21Å | 1.27Å | |
| C4 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C16 | sing | 1.51Å | 1.56Å | |
| C7 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.48Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | O3 | sing | 1.37Å | 1.37Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C28 | O3 | 101.8° | 111.0° |
| C28 | C23 | N3 | 111.2° | 109.3° |
| C28 | C23 | C22 | 109.2° | 110.5° |
| C23 | C28 | H281 | 112.1° | 109.2° |
| C23 | C28 | H282 | 113.7° | 109.1° |
| C28 | C23 | H23 | 111.3° | 109.3° |
| C28 | O3 | C15 | 113.7° | 116.8° |
| O3 | C28 | H281 | 112.1° | 109.1° |
| O3 | C28 | H282 | 113.7° | 109.2° |
| N3 | C30 | C26 | 109.8° | 109.5° |
| C30 | N3 | C31 | 112.6° | 111.0° |
| C30 | N3 | C23 | 110.4° | 111.0° |
| N3 | C30 | H301 | 109.3° | 109.5° |
| N3 | C30 | H302 | 109.3° | 109.5° |
| C30 | C26 | N2 | 113.6° | 109.5° |
| C26 | C30 | H301 | 109.4° | 109.5° |
| C26 | C30 | H302 | 109.3° | 109.5° |
| C30 | C26 | H261 | 108.1° | 109.4° |
| C30 | C26 | H262 | 107.2° | 109.4° |
| C31 | N3 | C23 | 113.8° | 111.0° |
| N3 | C31 | H311 | 109.5° | 109.5° |
| N3 | C31 | H312 | 109.5° | 109.5° |
| N3 | C31 | H313 | 109.5° | 109.4° |
| N3 | C23 | C22 | 116.5° | 109.3° |
| N3 | C23 | H23 | 103.0° | 109.4° |
| C25 | N2 | C24 | 107.3° | 111.0° |
| C25 | N2 | C26 | 113.0° | 111.0° |
| N2 | C25 | H251 | 109.5° | 109.5° |
| N2 | C25 | H252 | 109.5° | 109.5° |
| N2 | C25 | H253 | 109.5° | 109.5° |
| C24 | N2 | C26 | 107.9° | 111.0° |
| N2 | C24 | H241 | 109.5° | 109.5° |
| N2 | C24 | H242 | 109.4° | 109.5° |
| N2 | C24 | H243 | 109.4° | 109.4° |
| N2 | C26 | H261 | 108.2° | 109.5° |
| N2 | C26 | H262 | 107.2° | 109.5° |
| N1 | C22 | C23 | 112.7° | 110.3° |
| C22 | N1 | C1 | 126.7° | 126.8° |
| C22 | N1 | C9 | 125.3° | 124.6° |
| N1 | C22 | H221 | 108.4° | 109.3° |
| N1 | C22 | H222 | 107.7° | 109.3° |
| C22 | C23 | H23 | 105.3° | 109.1° |
| C23 | C22 | H221 | 108.4° | 109.4° |
| C23 | C22 | H222 | 107.6° | 109.3° |
| C1 | N1 | C9 | 108.0° | 108.6° |
| N1 | C1 | C6 | 129.7° | 131.9° |
| N1 | C1 | C2 | 110.8° | 107.3° |
| N1 | C9 | C7 | 107.9° | 109.6° |
| N1 | C9 | C10 | 123.8° | 123.8° |
| C6 | C1 | C2 | 119.5° | 120.8° |
| C1 | C6 | C5 | 119.7° | 116.8° |
| C1 | C6 | H6 | 120.2° | 121.6° |
| C1 | C2 | C3 | 121.1° | 121.4° |
| C1 | C2 | C7 | 105.1° | 107.0° |
| C6 | C5 | C8 | 117.2° | 119.0° |
| C6 | C5 | C4 | 121.6° | 121.9° |
| C5 | C6 | H6 | 120.2° | 121.6° |
| C8 | C5 | C4 | 121.2° | 119.1° |
| C5 | C8 | O2 | 116.2° | 120.0° |
| C5 | C8 | O1 | 116.5° | 120.0° |
| C5 | C4 | C3 | 118.8° | 121.9° |
| C5 | C4 | H4 | 120.6° | 119.0° |
| O2 | C8 | O1 | 127.2° | 119.9° |
| C8 | O2 | H2 | 109.5° | 117.0° |
| C4 | C3 | C2 | 119.3° | 117.1° |
| C3 | C4 | H4 | 120.6° | 119.1° |
| C4 | C3 | H3 | 120.3° | 121.5° |
| C3 | C2 | C7 | 133.9° | 131.7° |
| C2 | C3 | H3 | 120.4° | 121.4° |
| C2 | C7 | C16 | 125.7° | 126.3° |
| C2 | C7 | C9 | 108.2° | 107.5° |
| C16 | C7 | C9 | 126.0° | 126.3° |
| C7 | C16 | C17 | 109.2° | 109.5° |
| C7 | C16 | C18 | 112.4° | 109.5° |
| C7 | C16 | H16 | 108.0° | 109.5° |
| C7 | C9 | C10 | 128.3° | 126.5° |
| C17 | C16 | C18 | 110.1° | 109.4° |
| C16 | C17 | C20 | 113.2° | 109.5° |
| C17 | C16 | H16 | 110.2° | 109.5° |
| C16 | C17 | H171 | 108.2° | 109.5° |
| C16 | C17 | H172 | 107.4° | 109.5° |
| C16 | C18 | C19 | 113.4° | 109.5° |
| C18 | C16 | H16 | 106.9° | 109.5° |
| C16 | C18 | H181 | 108.2° | 109.5° |
| C16 | C18 | H182 | 107.3° | 109.4° |
| C17 | C20 | C21 | 109.3° | 109.5° |
| C20 | C17 | H171 | 108.2° | 109.5° |
| C20 | C17 | H172 | 107.4° | 109.5° |
| C17 | C20 | H201 | 109.5° | 109.4° |
| C17 | C20 | H202 | 109.5° | 109.5° |
| C20 | C21 | C19 | 108.5° | 109.5° |
| C21 | C20 | H201 | 109.5° | 109.5° |
| C21 | C20 | H202 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.8° | 109.5° |
| C20 | C21 | H212 | 110.0° | 109.5° |
| C21 | C19 | C18 | 111.9° | 109.5° |
| C19 | C21 | H211 | 109.8° | 109.4° |
| C19 | C21 | H212 | 110.0° | 109.4° |
| C21 | C19 | H191 | 108.7° | 109.5° |
| C21 | C19 | H192 | 108.2° | 109.5° |
| C19 | C18 | H181 | 108.2° | 109.5° |
| C19 | C18 | H182 | 107.3° | 109.5° |
| C18 | C19 | H191 | 108.7° | 109.5° |
| C18 | C19 | H192 | 108.1° | 109.5° |
| C9 | C10 | C11 | 118.3° | 121.2° |
| C9 | C10 | C15 | 122.2° | 119.2° |
| C11 | C10 | C15 | 119.4° | 119.5° |
| C10 | C11 | C12 | 120.5° | 119.6° |
| C10 | C11 | H11 | 119.8° | 120.2° |
| C10 | C15 | C14 | 120.4° | 120.3° |
| C10 | C15 | O3 | 120.8° | 118.2° |
| C11 | C12 | C13 | 120.1° | 120.5° |
| C12 | C11 | H11 | 119.8° | 120.2° |
| C11 | C12 | H12 | 119.9° | 119.7° |
| C12 | C13 | C14 | 119.9° | 120.4° |
| C13 | C12 | H12 | 119.9° | 119.8° |
| C12 | C13 | H13 | 120.1° | 119.8° |
| C13 | C14 | C15 | 119.6° | 119.6° |
| C14 | C13 | H13 | 120.0° | 119.7° |
| C13 | C14 | H14 | 120.2° | 120.2° |
| C14 | C15 | O3 | 118.8° | 121.5° |
| C15 | C14 | H14 | 120.2° | 120.1° |
| H281 | C28 | H282 | 103.7° | 109.2° |
| H301 | C30 | H302 | 109.7° | 109.4° |
| H261 | C26 | H262 | 112.7° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H221 | C22 | H222 | 112.1° | 109.2° |
| H171 | C17 | H172 | 112.5° | 109.5° |
| H181 | C18 | H182 | 112.6° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.4° |
| H211 | C21 | H212 | 108.7° | 109.5° |
| H191 | C19 | H192 | 111.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C28 | O3 | H281 | 120.0° | 120.4° |
| C23 | C28 | O3 | H282 | 122.7° | 120.4° |
| C28 | C23 | N3 | C30 | 171.0° | 53.3° |
| C28 | C23 | N3 | C31 | 61.4° | 70.6° |
| C28 | C23 | N3 | C22 | 126.0° | 121.0° |
| C28 | C23 | N3 | H23 | 119.3° | 119.6° |
| C28 | C23 | C22 | N1 | 93.8° | 86.1° |
| C28 | C23 | C22 | H23 | 119.6° | 120.2° |
| C23 | C28 | O3 | C15 | 106.6° | 99.3° |
| C23 | C28 | H281 | H282 | 123.1° | 119.2° |
| C28 | C23 | C22 | H221 | 146.2° | 153.6° |
| C28 | C23 | C22 | H222 | 24.8° | 34.2° |
| O3 | C28 | C23 | N3 | 158.0° | 177.9° |
| O3 | C28 | C23 | C22 | 72.0° | 57.6° |
| C28 | O3 | C15 | C10 | 101.2° | 105.8° |
| C28 | O3 | C15 | C14 | 78.1° | 76.9° |
| O3 | C28 | H281 | H282 | 123.1° | 119.2° |
| O3 | C28 | C23 | H23 | 43.8° | 62.5° |
| N3 | C30 | C26 | H301 | 120.0° | 120.1° |
| N3 | C30 | C26 | H302 | 119.9° | 120.0° |
| C30 | N3 | C31 | C23 | 126.5° | 124.0° |
| N3 | C30 | C26 | N2 | 164.9° | 180.0° |
| C30 | N3 | C23 | C22 | 63.0° | 67.7° |
| C30 | N3 | C23 | H23 | 51.7° | 172.9° |
| N3 | C30 | H301 | H302 | 119.8° | 120.0° |
| N3 | C30 | C26 | H261 | 75.1° | 60.0° |
| N3 | C30 | C26 | H262 | 46.7° | 60.0° |
| C30 | N3 | C31 | H311 | 50.3° | 53.9° |
| C30 | N3 | C31 | H312 | 69.8° | 173.9° |
| C30 | N3 | C31 | H313 | 170.3° | 66.1° |
| C26 | C30 | N3 | C31 | 72.2° | 66.0° |
| C26 | C30 | N3 | C23 | 159.5° | 170.0° |
| C30 | C26 | N2 | C25 | 67.8° | 66.1° |
| C30 | C26 | N2 | C24 | 173.7° | 170.0° |
| C30 | C26 | N2 | H261 | 120.0° | 120.0° |
| C30 | C26 | N2 | H262 | 118.2° | 119.9° |
| C26 | C30 | H301 | H302 | 119.9° | 120.0° |
| C30 | C26 | H261 | H262 | 118.3° | 119.9° |
| C31 | N3 | C23 | C22 | 64.6° | 168.4° |
| C31 | N3 | C23 | H23 | 179.3° | 49.0° |
| C31 | N3 | C30 | H301 | 167.8° | 173.9° |
| C31 | N3 | C30 | H302 | 47.7° | 53.9° |
| N3 | C31 | H311 | H312 | 120.0° | 120.0° |
| N3 | C31 | H311 | H313 | 120.0° | 119.9° |
| N3 | C31 | H312 | H313 | 120.0° | 119.9° |
| N3 | C23 | C22 | N1 | 139.3° | 153.7° |
| N3 | C23 | C22 | H23 | 113.4° | 119.6° |
| N3 | C23 | C28 | H281 | 38.0° | 61.8° |
| N3 | C23 | C28 | H282 | 79.3° | 57.5° |
| C23 | N3 | C30 | H301 | 39.5° | 50.0° |
| C23 | N3 | C30 | H302 | 80.7° | 70.0° |
| C23 | N3 | C31 | H311 | 176.8° | 70.1° |
| C23 | N3 | C31 | H312 | 56.8° | 50.0° |
| C23 | N3 | C31 | H313 | 63.2° | 169.9° |
| N3 | C23 | C22 | H221 | 19.3° | 33.4° |
| N3 | C23 | C22 | H222 | 102.2° | 86.1° |
| C25 | N2 | C24 | C26 | 122.0° | 123.9° |
| C25 | N2 | C26 | H261 | 52.2° | 53.9° |
| C25 | N2 | C26 | H262 | 174.0° | 174.0° |
| N2 | C25 | H251 | H252 | 120.0° | 120.0° |
| N2 | C25 | H251 | H253 | 120.0° | 120.0° |
| N2 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | N2 | C24 | H241 | 112.8° | 64.0° |
| C25 | N2 | C24 | H242 | 127.2° | 176.1° |
| C25 | N2 | C24 | H243 | 7.2° | 56.0° |
| C24 | N2 | C26 | H261 | 66.3° | 70.0° |
| C24 | N2 | C26 | H262 | 55.5° | 50.0° |
| C24 | N2 | C25 | H251 | 14.8° | 60.0° |
| C24 | N2 | C25 | H252 | 134.9° | 180.0° |
| C24 | N2 | C25 | H253 | 105.1° | 60.0° |
| N2 | C24 | H241 | H242 | 120.0° | 120.0° |
| N2 | C24 | H241 | H243 | 120.0° | 119.9° |
| N2 | C24 | H242 | H243 | 120.0° | 120.0° |
| N2 | C26 | C30 | H301 | 44.9° | 59.9° |
| N2 | C26 | C30 | H302 | 75.2° | 60.0° |
| N2 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | N2 | C25 | H251 | 133.6° | 176.0° |
| C26 | N2 | C25 | H252 | 106.3° | 56.0° |
| C26 | N2 | C25 | H253 | 13.7° | 63.9° |
| C26 | N2 | C24 | H241 | 9.2° | 60.0° |
| C26 | N2 | C24 | H242 | 110.8° | 60.0° |
| C26 | N2 | C24 | H243 | 129.2° | 179.9° |
| N1 | C22 | C23 | H221 | 120.0° | 120.3° |
| N1 | C22 | C23 | H222 | 118.6° | 120.2° |
| C22 | N1 | C1 | C9 | 179.5° | 178.7° |
| C22 | N1 | C1 | C6 | 1.4° | 3.5° |
| C22 | N1 | C1 | C2 | 179.7° | 176.1° |
| C22 | N1 | C9 | C7 | 179.5° | 175.9° |
| C22 | N1 | C9 | C10 | 0.1° | 6.1° |
| N1 | C22 | C23 | H23 | 25.8° | 34.1° |
| N1 | C22 | H221 | H222 | 118.7° | 119.5° |
| C23 | C22 | N1 | C1 | 92.9° | 84.5° |
| C23 | C22 | N1 | C9 | 87.7° | 96.9° |
| C22 | C23 | C28 | H281 | 168.0° | 178.0° |
| C22 | C23 | C28 | H282 | 50.7° | 62.8° |
| C23 | C22 | H221 | H222 | 118.6° | 119.6° |
| N1 | C1 | C6 | C2 | 178.9° | 179.5° |
| N1 | C1 | C6 | C5 | 179.3° | 179.3° |
| N1 | C1 | C2 | C3 | 179.9° | 178.9° |
| N1 | C1 | C2 | C7 | 0.3° | 1.5° |
| C1 | N1 | C9 | C7 | 0.1° | 2.8° |
| C1 | N1 | C9 | C10 | 179.5° | 175.1° |
| C1 | N1 | C22 | H221 | 27.1° | 35.8° |
| C1 | N1 | C22 | H222 | 148.6° | 155.2° |
| N1 | C1 | C6 | H6 | 0.6° | 0.8° |
| C9 | N1 | C1 | C6 | 179.1° | 177.8° |
| C9 | N1 | C1 | C2 | 0.2° | 2.7° |
| N1 | C9 | C7 | C2 | 0.3° | 1.8° |
| N1 | C9 | C7 | C16 | 178.8° | 178.2° |
| N1 | C9 | C7 | C10 | 179.4° | 177.9° |
| N1 | C9 | C10 | C11 | 125.0° | 127.0° |
| N1 | C9 | C10 | C15 | 56.9° | 52.7° |
| C9 | N1 | C22 | H221 | 152.3° | 142.8° |
| C9 | N1 | C22 | H222 | 30.9° | 23.4° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C8 | 179.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.6° | 0.2° |
| C6 | C1 | C2 | C3 | 0.9° | 0.7° |
| C6 | C1 | C2 | C7 | 179.4° | 178.8° |
| C2 | C1 | C6 | C5 | 0.5° | 0.2° |
| C1 | C2 | C3 | C4 | 0.2° | 0.6° |
| C1 | C2 | C3 | C7 | 179.7° | 179.4° |
| C1 | C2 | C7 | C16 | 178.8° | 179.8° |
| C1 | C2 | C7 | C9 | 0.4° | 0.2° |
| C2 | C1 | C6 | H6 | 179.5° | 179.7° |
| C1 | C2 | C3 | H3 | 179.8° | 179.4° |
| C6 | C5 | C8 | C4 | 178.4° | 179.9° |
| C6 | C5 | C8 | O2 | 28.4° | 180.0° |
| C6 | C5 | C8 | O1 | 147.4° | 0.1° |
| C6 | C5 | C4 | C3 | 1.3° | 0.3° |
| C6 | C5 | C4 | H4 | 178.7° | 179.6° |
| C5 | C8 | O2 | O1 | 175.2° | 179.9° |
| C8 | C5 | C4 | C3 | 179.6° | 179.6° |
| C8 | C5 | C6 | H6 | 1.0° | 0.3° |
| C8 | C5 | C4 | H4 | 0.4° | 0.4° |
| C5 | C8 | O2 | H2 | 175.2° | 179.9° |
| C4 | C5 | C8 | O2 | 153.2° | 0.1° |
| C4 | C5 | C8 | O1 | 31.0° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.9° | 0.1° |
| C4 | C5 | C6 | H6 | 179.4° | 179.8° |
| C5 | C4 | C3 | H3 | 179.1° | 179.9° |
| O1 | C8 | O2 | H2 | 0.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 179.8° | 178.8° |
| C3 | C2 | C7 | C16 | 0.9° | 0.7° |
| C3 | C2 | C7 | C9 | 179.9° | 179.3° |
| C2 | C3 | C4 | H4 | 179.1° | 179.9° |
| C2 | C7 | C16 | C9 | 179.0° | 180.0° |
| C2 | C7 | C16 | C17 | 50.9° | 60.0° |
| C2 | C7 | C16 | C18 | 71.6° | 60.0° |
| C2 | C7 | C9 | C10 | 179.6° | 176.1° |
| C7 | C2 | C3 | H3 | 0.2° | 1.2° |
| C2 | C7 | C16 | H16 | 170.7° | 180.0° |
| C7 | C16 | C17 | C18 | 123.8° | 120.0° |
| C7 | C16 | C17 | H16 | 118.4° | 120.0° |
| C7 | C16 | C18 | H16 | 118.3° | 120.0° |
| C7 | C16 | C17 | C20 | 175.0° | 180.0° |
| C7 | C16 | C18 | C19 | 170.0° | 180.0° |
| C16 | C7 | C9 | C10 | 0.5° | 3.9° |
| C7 | C16 | C17 | H171 | 65.0° | 60.0° |
| C7 | C16 | C17 | H172 | 56.7° | 60.0° |
| C7 | C16 | C18 | H181 | 50.0° | 60.0° |
| C7 | C16 | C18 | H182 | 71.7° | 60.0° |
| C9 | C7 | C16 | C17 | 128.1° | 120.0° |
| C9 | C7 | C16 | C18 | 109.4° | 120.1° |
| C7 | C9 | C10 | C11 | 54.2° | 55.4° |
| C7 | C9 | C10 | C15 | 123.8° | 125.0° |
| C9 | C7 | C16 | H16 | 8.3° | 0.0° |
| C17 | C16 | C18 | H16 | 119.8° | 120.0° |
| C16 | C17 | C20 | H171 | 120.0° | 120.0° |
| C16 | C17 | C20 | H172 | 118.4° | 120.0° |
| C16 | C17 | C20 | C21 | 59.1° | 60.0° |
| C17 | C16 | C18 | C19 | 48.1° | 60.0° |
| C16 | C17 | H171 | H172 | 118.5° | 120.0° |
| C17 | C16 | C18 | H181 | 71.9° | 60.0° |
| C17 | C16 | C18 | H182 | 166.3° | 180.0° |
| C16 | C17 | C20 | H201 | 60.9° | 60.0° |
| C16 | C17 | C20 | H202 | 179.1° | 179.9° |
| C18 | C16 | C17 | C20 | 51.2° | 60.0° |
| C16 | C18 | C19 | C21 | 53.6° | 60.0° |
| C16 | C18 | C19 | H181 | 120.0° | 120.0° |
| C16 | C18 | C19 | H182 | 118.3° | 119.9° |
| C18 | C16 | C17 | H171 | 171.2° | 180.0° |
| C18 | C16 | C17 | H172 | 67.1° | 60.0° |
| C16 | C18 | H181 | H182 | 118.4° | 119.9° |
| C16 | C18 | C19 | H191 | 66.4° | 60.0° |
| C16 | C18 | C19 | H192 | 172.6° | 180.0° |
| C17 | C20 | C21 | H201 | 120.0° | 120.0° |
| C17 | C20 | C21 | H202 | 120.0° | 120.0° |
| C17 | C20 | C21 | C19 | 61.2° | 60.0° |
| C20 | C17 | C16 | H16 | 66.5° | 60.0° |
| C20 | C17 | H171 | H172 | 118.4° | 120.0° |
| C17 | C20 | H201 | H202 | 120.1° | 119.9° |
| C17 | C20 | C21 | H211 | 178.8° | 180.0° |
| C17 | C20 | C21 | H212 | 59.2° | 60.0° |
| C20 | C21 | C19 | H211 | 120.0° | 120.1° |
| C20 | C21 | C19 | H212 | 120.4° | 120.0° |
| C20 | C21 | C19 | C18 | 59.4° | 60.0° |
| C21 | C20 | C17 | H171 | 179.1° | 180.0° |
| C21 | C20 | C17 | H172 | 59.3° | 60.0° |
| C21 | C20 | H201 | H202 | 120.1° | 120.0° |
| C20 | C21 | H211 | H212 | 120.4° | 120.1° |
| C20 | C21 | C19 | H191 | 60.6° | 60.0° |
| C20 | C21 | C19 | H192 | 178.4° | 180.0° |
| C21 | C19 | C18 | H191 | 120.0° | 120.0° |
| C21 | C19 | C18 | H192 | 119.0° | 120.0° |
| C21 | C19 | C18 | H181 | 66.4° | 60.0° |
| C21 | C19 | C18 | H182 | 171.9° | 179.9° |
| C19 | C21 | C20 | H201 | 58.8° | 60.0° |
| C19 | C21 | C20 | H202 | 178.8° | 180.0° |
| C19 | C21 | H211 | H212 | 120.4° | 119.9° |
| C21 | C19 | H191 | H192 | 119.0° | 120.0° |
| C19 | C18 | C16 | H16 | 71.7° | 60.0° |
| C19 | C18 | H181 | H182 | 118.4° | 120.0° |
| C18 | C19 | C21 | H211 | 179.4° | 180.0° |
| C18 | C19 | C21 | H212 | 61.0° | 60.0° |
| C18 | C19 | H191 | H192 | 119.0° | 120.0° |
| C9 | C10 | C11 | C15 | 178.1° | 179.7° |
| C9 | C10 | C11 | C12 | 179.1° | 178.4° |
| C9 | C10 | C15 | C14 | 179.4° | 177.6° |
| C9 | C10 | C15 | O3 | 1.3° | 5.1° |
| C9 | C10 | C11 | H11 | 0.9° | 1.6° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.2° |
| C11 | C10 | C15 | C14 | 1.3° | 2.1° |
| C11 | C10 | C15 | O3 | 179.3° | 175.3° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 1.0° | 1.2° |
| C10 | C15 | C14 | C13 | 0.8° | 1.5° |
| C10 | C15 | C14 | O3 | 179.3° | 177.2° |
| C15 | C10 | C11 | H11 | 179.0° | 178.8° |
| C10 | C15 | C14 | H14 | 179.3° | 178.5° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.8° |
| C11 | C12 | C13 | H13 | 179.5° | 179.2° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C12 | C11 | H11 | 179.9° | 179.8° |
| C12 | C13 | C14 | H14 | 179.8° | 179.9° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O3 | 179.9° | 175.7° |
| C14 | C13 | C12 | H12 | 179.4° | 179.3° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C15 | O3 | C28 | H281 | 133.4° | 140.3° |
| C15 | O3 | C28 | H282 | 16.1° | 21.1° |
| O3 | C15 | C14 | H14 | 0.1° | 4.2° |
| H281 | C28 | C23 | H23 | 76.2° | 57.9° |
| H282 | C28 | C23 | H23 | 166.5° | 177.1° |
| H23 | C23 | C22 | H221 | 94.2° | 86.2° |
| H23 | C23 | C22 | H222 | 144.4° | 154.3° |
| H301 | C30 | C26 | H261 | 164.9° | 179.9° |
| H301 | C30 | C26 | H262 | 73.3° | 60.1° |
| H302 | C30 | C26 | H261 | 44.8° | 60.0° |
| H302 | C30 | C26 | H262 | 166.5° | 180.0° |
| H311 | C31 | H312 | H313 | 119.9° | 120.0° |
| H251 | C25 | H252 | H253 | 119.9° | 119.9° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H4 | C4 | C3 | H3 | 0.9° | 0.0° |
| H16 | C16 | C17 | H171 | 53.5° | 60.0° |
| H16 | C16 | C17 | H172 | 175.1° | 180.0° |
| H16 | C16 | C18 | H181 | 168.3° | 180.0° |
| H16 | C16 | C18 | H182 | 46.6° | 60.0° |
| H171 | C17 | C20 | H201 | 59.1° | 60.0° |
| H171 | C17 | C20 | H202 | 60.9° | 59.9° |
| H172 | C17 | C20 | H201 | 179.3° | 179.9° |
| H172 | C17 | C20 | H202 | 60.8° | 60.0° |
| H181 | C18 | C19 | H191 | 173.6° | 180.0° |
| H181 | C18 | C19 | H192 | 52.6° | 60.0° |
| H182 | C18 | C19 | H191 | 51.9° | 59.9° |
| H182 | C18 | C19 | H192 | 69.1° | 60.1° |
| H201 | C20 | C21 | H211 | 61.2° | 60.0° |
| H201 | C20 | C21 | H212 | 179.2° | 180.0° |
| H202 | C20 | C21 | H211 | 58.8° | 60.0° |
| H202 | C20 | C21 | H212 | 60.9° | 60.0° |
| H211 | C21 | C19 | H191 | 59.4° | 60.0° |
| H211 | C21 | C19 | H192 | 61.6° | 60.0° |
| H212 | C21 | C19 | H191 | 179.0° | 180.0° |
| H212 | C21 | C19 | H192 | 58.0° | 60.0° |
| H11 | C11 | C12 | H12 | 0.1° | 0.1° |
| H12 | C12 | C13 | H13 | 0.6° | 0.7° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
