O3N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C15 | sing | 1.48Å | 1.48Å | |
| C8 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C16 | sing | 1.47Å | 1.50Å | |
| C9 | C26 | sing | 1.51Å | 1.48Å | |
| C10 | C27 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | O40 | sing | 1.36Å | 1.38Å | |
| C12 | O39 | sing | 1.36Å | 1.39Å | |
| C13 | C14 | doub | 1.31Å | 1.33Å | |
| C14 | C28 | sing | 1.51Å | 1.49Å | |
| C15 | N32 | sing | 1.35Å | 1.37Å | |
| C15 | O36 | doub | 1.22Å | 1.22Å | |
| C16 | O34 | sing | 1.35Å | 1.27Å | |
| C16 | O37 | doub | 1.21Å | 1.26Å | |
| C17 | C29 | sing | 1.51Å | 1.52Å | |
| C17 | O35 | sing | 1.34Å | 1.26Å | |
| C17 | O38 | doub | 1.21Å | 1.26Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | O39 | sing | 1.43Å | 1.42Å | |
| C24 | C30 | sing | 1.53Å | 1.52Å | |
| C25 | C31 | sing | 1.53Å | 1.52Å | |
| C25 | O40 | sing | 1.43Å | 1.42Å | |
| C26 | N33 | sing | 1.47Å | 1.49Å | |
| C27 | N33 | sing | 1.47Å | 1.53Å | |
| C28 | N33 | sing | 1.47Å | 1.50Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | N32 | sing | 1.47Å | 1.43Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | 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 | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 121.1° | 120.1° |
| C1 | C2 | C4 | 119.1° | 120.3° |
| C2 | C1 | H1 | 119.5° | 120.0° |
| C1 | C2 | H2 | 120.4° | 119.8° |
| C1 | C3 | C7 | 119.6° | 119.9° |
| C3 | C1 | H1 | 119.4° | 119.9° |
| C1 | C3 | H3 | 120.2° | 120.1° |
| C2 | C4 | C9 | 120.4° | 120.1° |
| C4 | C2 | H2 | 120.4° | 119.9° |
| C2 | C4 | H4 | 119.8° | 120.0° |
| C3 | C7 | C9 | 119.7° | 119.7° |
| C3 | C7 | C15 | 117.8° | 120.2° |
| C7 | C3 | H3 | 120.2° | 120.1° |
| C4 | C9 | C7 | 120.1° | 119.9° |
| C4 | C9 | C26 | 117.4° | 120.0° |
| C9 | C4 | H4 | 119.8° | 119.9° |
| C6 | C5 | C10 | 120.3° | 120.4° |
| C5 | C6 | C11 | 119.8° | 120.4° |
| C6 | C5 | H5 | 119.8° | 119.8° |
| C5 | C6 | H6 | 120.1° | 119.8° |
| C5 | C10 | C8 | 120.0° | 119.9° |
| C5 | C10 | C27 | 118.0° | 120.0° |
| C10 | C5 | H5 | 119.9° | 119.8° |
| C6 | C11 | C12 | 120.6° | 119.9° |
| C6 | C11 | O40 | 116.4° | 119.4° |
| C11 | C6 | H6 | 120.1° | 119.8° |
| C9 | C7 | C15 | 122.6° | 120.2° |
| C7 | C9 | C26 | 122.5° | 120.1° |
| C7 | C15 | N32 | 113.6° | 120.0° |
| C7 | C15 | O36 | 122.8° | 120.0° |
| C10 | C8 | C12 | 119.6° | 119.8° |
| C10 | C8 | C16 | 120.3° | 120.1° |
| C8 | C10 | C27 | 122.0° | 120.1° |
| C12 | C8 | C16 | 120.1° | 120.2° |
| C8 | C12 | C11 | 119.8° | 119.7° |
| C8 | C12 | O39 | 118.8° | 119.4° |
| C8 | C16 | O34 | 112.9° | 120.0° |
| C8 | C16 | O37 | 121.7° | 120.0° |
| C9 | C26 | N33 | 115.0° | 109.5° |
| C9 | C26 | H261 | 108.1° | 109.5° |
| C9 | C26 | H262 | 108.1° | 109.4° |
| C10 | C27 | N33 | 108.7° | 109.5° |
| C10 | C27 | H271 | 109.7° | 109.5° |
| C10 | C27 | H272 | 109.7° | 109.5° |
| C12 | C11 | O40 | 123.0° | 120.7° |
| C11 | C12 | O39 | 121.4° | 120.9° |
| C11 | O40 | C25 | 109.2° | 116.7° |
| C12 | O39 | C23 | 112.1° | 116.7° |
| C13 | C14 | C28 | 123.6° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C14 | C13 | H132 | 120.0° | 120.0° |
| C13 | C14 | H14 | 118.2° | 120.0° |
| C14 | C28 | N33 | 114.7° | 109.4° |
| C28 | C14 | H14 | 118.2° | 120.0° |
| C14 | C28 | H281 | 108.2° | 109.5° |
| C14 | C28 | H282 | 108.1° | 109.5° |
| N32 | C15 | O36 | 123.6° | 120.0° |
| C15 | N32 | C30 | 118.9° | 120.0° |
| C15 | N32 | H32 | 120.6° | 120.1° |
| O34 | C16 | O37 | 125.0° | 120.0° |
| C16 | O34 | H34 | 109.5° | 117.0° |
| C29 | C17 | O35 | 114.9° | 119.9° |
| C29 | C17 | O38 | 116.5° | 120.0° |
| C17 | C29 | C31 | 105.1° | 109.5° |
| C17 | C29 | H291 | 110.5° | 109.5° |
| C17 | C29 | H292 | 110.6° | 109.5° |
| O35 | C17 | O38 | 128.6° | 120.0° |
| C17 | O35 | H35 | 109.5° | 117.0° |
| C19 | C18 | C20 | 108.5° | 109.5° |
| C18 | C19 | C21 | 110.5° | 109.5° |
| C19 | C18 | H181 | 109.7° | 109.5° |
| C19 | C18 | H182 | 109.7° | 109.5° |
| C18 | C19 | H191 | 109.2° | 109.5° |
| C18 | C19 | H192 | 109.2° | 109.4° |
| C18 | C20 | C22 | 108.7° | 109.5° |
| C20 | C18 | H181 | 109.7° | 109.5° |
| C20 | C18 | H182 | 109.7° | 109.4° |
| C18 | C20 | H201 | 109.7° | 109.5° |
| C18 | C20 | H202 | 109.7° | 109.5° |
| C19 | C21 | C24 | 110.2° | 109.5° |
| C21 | C19 | H191 | 109.2° | 109.5° |
| C21 | C19 | H192 | 109.2° | 109.5° |
| C19 | C21 | H211 | 109.3° | 109.5° |
| C19 | C21 | H212 | 109.3° | 109.4° |
| C20 | C22 | C24 | 110.3° | 109.4° |
| C22 | C20 | H201 | 109.7° | 109.4° |
| C22 | C20 | H202 | 109.7° | 109.4° |
| C20 | C22 | H221 | 109.3° | 109.5° |
| C20 | C22 | H222 | 109.3° | 109.5° |
| C21 | C24 | C22 | 113.1° | 109.5° |
| C21 | C24 | C30 | 116.8° | 109.5° |
| C24 | C21 | H211 | 109.3° | 109.5° |
| C24 | C21 | H212 | 109.3° | 109.5° |
| C21 | C24 | H24 | 103.2° | 109.5° |
| C22 | C24 | C30 | 114.8° | 109.4° |
| C24 | C22 | H221 | 109.2° | 109.4° |
| C24 | C22 | H222 | 109.3° | 109.5° |
| C22 | C24 | H24 | 103.3° | 109.4° |
| C25 | C23 | O39 | 107.9° | 108.2° |
| C23 | C25 | C31 | 108.8° | 109.7° |
| C23 | C25 | O40 | 109.0° | 108.3° |
| C25 | C23 | H231 | 109.8° | 109.7° |
| C25 | C23 | H232 | 109.8° | 109.7° |
| C23 | C25 | H25 | 109.2° | 109.7° |
| O39 | C23 | H231 | 109.8° | 109.8° |
| O39 | C23 | H232 | 109.9° | 109.7° |
| C24 | C30 | N32 | 115.3° | 109.5° |
| C30 | C24 | H24 | 103.2° | 109.4° |
| C24 | C30 | H301 | 108.0° | 109.5° |
| C24 | C30 | H302 | 108.0° | 109.5° |
| C31 | C25 | O40 | 110.7° | 109.7° |
| C25 | C31 | C29 | 112.0° | 109.5° |
| C31 | C25 | H25 | 108.9° | 109.6° |
| C25 | C31 | H311 | 108.8° | 109.4° |
| C25 | C31 | H312 | 108.9° | 109.5° |
| O40 | C25 | H25 | 110.2° | 109.7° |
| C26 | N33 | C27 | 114.4° | 111.0° |
| C26 | N33 | C28 | 106.6° | 111.0° |
| N33 | C26 | H261 | 108.1° | 109.5° |
| N33 | C26 | H262 | 108.1° | 109.5° |
| C27 | N33 | C28 | 118.4° | 111.0° |
| N33 | C27 | H271 | 109.7° | 109.5° |
| N33 | C27 | H272 | 109.7° | 109.4° |
| N33 | C28 | H281 | 108.2° | 109.5° |
| N33 | C28 | H282 | 108.2° | 109.5° |
| C31 | C29 | H291 | 110.6° | 109.5° |
| C31 | C29 | H292 | 110.5° | 109.4° |
| C29 | C31 | H311 | 108.8° | 109.4° |
| C29 | C31 | H312 | 108.9° | 109.5° |
| C30 | N32 | H32 | 120.6° | 120.0° |
| N32 | C30 | H301 | 108.0° | 109.5° |
| N32 | C30 | H302 | 108.0° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H131 | C13 | H132 | 120.0° | 120.0° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.7° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.6° |
| C1 | C2 | C4 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C7 | 0.2° | 0.0° |
| C1 | C2 | C4 | C9 | 0.1° | 0.0° |
| C2 | C1 | C3 | H3 | 179.8° | 179.9° |
| C1 | C2 | C4 | H4 | 179.9° | 179.9° |
| C3 | C1 | C2 | C4 | 0.2° | 0.1° |
| C1 | C3 | C7 | H3 | 180.0° | 180.0° |
| C1 | C3 | C7 | C9 | 0.1° | 0.0° |
| C1 | C3 | C7 | C15 | 179.4° | 180.0° |
| C3 | C1 | C2 | H2 | 179.8° | 180.0° |
| C2 | C4 | C9 | H4 | 180.0° | 179.9° |
| C2 | C4 | C9 | C7 | 0.4° | 0.0° |
| C2 | C4 | C9 | C26 | 179.8° | 180.0° |
| C4 | C2 | C1 | H1 | 179.8° | 179.7° |
| C3 | C7 | C9 | C4 | 0.4° | 0.1° |
| C3 | C7 | C9 | C15 | 179.3° | 180.0° |
| C3 | C7 | C9 | C26 | 179.8° | 179.9° |
| C3 | C7 | C15 | N32 | 46.8° | 0.0° |
| C3 | C7 | C15 | O36 | 135.0° | 180.0° |
| C7 | C3 | C1 | H1 | 179.8° | 179.7° |
| C4 | C9 | C7 | C26 | 179.4° | 180.0° |
| C4 | C9 | C7 | C15 | 179.7° | 180.0° |
| C4 | C9 | C26 | N33 | 79.0° | 100.0° |
| C9 | C4 | C2 | H2 | 179.9° | 180.0° |
| C4 | C9 | C26 | H261 | 41.8° | 20.1° |
| C4 | C9 | C26 | H262 | 160.2° | 140.0° |
| C6 | C5 | C10 | H5 | 180.0° | 179.7° |
| C5 | C6 | C11 | H6 | 180.0° | 180.0° |
| C6 | C5 | C10 | C8 | 0.3° | 0.1° |
| C6 | C5 | C10 | C27 | 179.2° | 179.9° |
| C5 | C6 | C11 | C12 | 1.5° | 0.1° |
| C5 | C6 | C11 | O40 | 179.2° | 179.6° |
| C10 | C5 | C6 | C11 | 1.0° | 0.0° |
| C5 | C10 | C8 | C27 | 178.8° | 180.0° |
| C5 | C10 | C8 | C12 | 0.1° | 0.0° |
| C5 | C10 | C8 | C16 | 177.8° | 180.0° |
| C5 | C10 | C27 | N33 | 108.7° | 102.3° |
| C10 | C5 | C6 | H6 | 179.0° | 180.0° |
| C5 | C10 | C27 | H271 | 131.4° | 17.7° |
| C5 | C10 | C27 | H272 | 11.1° | 137.8° |
| C6 | C11 | C12 | C8 | 1.3° | 0.2° |
| C6 | C11 | C12 | O40 | 179.3° | 179.7° |
| C6 | C11 | C12 | O39 | 179.4° | 179.7° |
| C6 | C11 | O40 | C25 | 158.9° | 162.9° |
| C11 | C6 | C5 | H5 | 179.0° | 179.7° |
| C9 | C7 | C15 | N32 | 132.5° | 180.0° |
| C9 | C7 | C15 | O36 | 45.7° | 0.0° |
| C7 | C9 | C26 | N33 | 101.6° | 79.9° |
| C9 | C7 | C3 | H3 | 179.9° | 180.0° |
| C7 | C9 | C4 | H4 | 179.6° | 180.0° |
| C7 | C9 | C26 | H261 | 137.6° | 160.0° |
| C7 | C9 | C26 | H262 | 19.2° | 40.0° |
| C15 | C7 | C9 | C26 | 0.9° | 0.0° |
| C7 | C15 | N32 | O36 | 178.2° | 180.0° |
| C7 | C15 | N32 | C30 | 169.4° | 180.0° |
| C15 | C7 | C3 | H3 | 0.6° | 0.0° |
| C7 | C15 | N32 | H32 | 10.6° | 0.1° |
| C10 | C8 | C12 | C16 | 177.7° | 180.0° |
| C10 | C8 | C12 | C11 | 0.6° | 0.1° |
| C10 | C8 | C12 | O39 | 178.7° | 179.7° |
| C10 | C8 | C16 | O34 | 136.4° | 94.7° |
| C10 | C8 | C16 | O37 | 36.4° | 85.3° |
| C8 | C10 | C27 | N33 | 70.1° | 77.7° |
| C8 | C10 | C5 | H5 | 179.7° | 179.7° |
| C8 | C10 | C27 | H271 | 49.8° | 162.3° |
| C8 | C10 | C27 | H272 | 170.0° | 42.3° |
| C12 | C8 | C10 | C27 | 178.9° | 180.0° |
| C8 | C12 | C11 | O39 | 178.1° | 179.8° |
| C8 | C12 | C11 | O40 | 179.5° | 179.6° |
| C12 | C8 | C16 | O34 | 41.3° | 85.3° |
| C12 | C8 | C16 | O37 | 146.0° | 94.7° |
| C8 | C12 | O39 | C23 | 166.3° | 162.8° |
| C16 | C8 | C10 | C27 | 3.4° | 0.0° |
| C16 | C8 | C12 | C11 | 178.3° | 179.9° |
| C16 | C8 | C12 | O39 | 3.6° | 0.3° |
| C8 | C16 | O34 | O37 | 172.5° | 180.0° |
| C8 | C16 | O34 | H34 | 172.5° | 180.0° |
| C9 | C26 | N33 | H261 | 120.8° | 120.1° |
| C9 | C26 | N33 | H262 | 120.8° | 119.9° |
| C9 | C26 | N33 | C27 | 68.8° | 170.0° |
| C9 | C26 | N33 | C28 | 158.3° | 66.1° |
| C26 | C9 | C4 | H4 | 0.2° | 0.0° |
| C9 | C26 | H261 | H262 | 117.5° | 119.9° |
| C10 | C27 | N33 | C26 | 171.7° | 76.4° |
| C10 | C27 | N33 | H271 | 119.9° | 120.0° |
| C10 | C27 | N33 | H272 | 119.9° | 120.0° |
| C10 | C27 | N33 | C28 | 44.6° | 159.7° |
| C27 | C10 | C5 | H5 | 0.8° | 0.3° |
| C10 | C27 | H271 | H272 | 120.4° | 120.0° |
| C11 | C12 | O39 | C23 | 15.6° | 17.4° |
| C12 | C11 | O40 | C25 | 21.8° | 17.4° |
| C12 | C11 | C6 | H6 | 178.5° | 179.9° |
| O40 | C11 | C12 | O39 | 1.3° | 0.6° |
| C11 | O40 | C25 | C23 | 54.6° | 46.2° |
| C11 | O40 | C25 | C31 | 174.2° | 165.9° |
| O40 | C11 | C6 | H6 | 0.8° | 0.4° |
| C11 | O40 | C25 | H25 | 65.2° | 73.5° |
| C12 | O39 | C23 | C25 | 47.6° | 46.2° |
| C12 | O39 | C23 | H231 | 167.4° | 166.0° |
| C12 | O39 | C23 | H232 | 72.1° | 73.4° |
| C13 | C14 | C28 | H14 | 180.0° | 179.9° |
| C13 | C14 | C28 | N33 | 111.3° | 124.7° |
| C14 | C13 | H131 | H132 | 180.0° | 180.0° |
| C13 | C14 | C28 | H281 | 9.4° | 115.3° |
| C13 | C14 | C28 | H282 | 127.9° | 4.8° |
| C14 | C28 | N33 | C26 | 70.2° | 163.9° |
| C14 | C28 | N33 | C27 | 60.5° | 72.2° |
| C14 | C28 | N33 | H281 | 120.8° | 120.0° |
| C14 | C28 | N33 | H282 | 120.8° | 120.0° |
| C28 | C14 | C13 | H131 | 0.0° | 180.0° |
| C28 | C14 | C13 | H132 | 180.0° | 0.0° |
| C14 | C28 | H281 | H282 | 117.6° | 120.0° |
| C15 | N32 | C30 | C24 | 108.0° | 180.0° |
| C15 | N32 | C30 | H32 | 180.0° | 180.0° |
| C15 | N32 | C30 | H301 | 131.2° | 60.0° |
| C15 | N32 | C30 | H302 | 12.9° | 60.0° |
| O36 | C15 | N32 | C30 | 12.4° | 0.0° |
| O36 | C15 | N32 | H32 | 167.6° | 180.0° |
| O37 | C16 | O34 | H34 | 0.0° | 0.1° |
| C29 | C17 | O35 | O38 | 178.7° | 180.0° |
| C17 | C29 | C31 | C25 | 79.8° | 180.0° |
| C17 | C29 | C31 | H291 | 119.3° | 120.0° |
| C17 | C29 | C31 | H292 | 119.3° | 120.0° |
| C17 | C29 | H291 | H292 | 122.1° | 120.0° |
| C29 | C17 | O35 | H35 | 178.7° | 180.0° |
| C17 | C29 | C31 | H311 | 159.9° | 60.0° |
| C17 | C29 | C31 | H312 | 40.6° | 60.0° |
| O35 | C17 | C29 | C31 | 135.2° | 180.0° |
| O35 | C17 | C29 | H291 | 105.6° | 60.1° |
| O35 | C17 | C29 | H292 | 15.9° | 60.0° |
| O38 | C17 | C29 | C31 | 46.0° | 0.0° |
| O38 | C17 | C29 | H291 | 73.3° | 120.0° |
| O38 | C17 | C29 | H292 | 165.3° | 120.0° |
| O38 | C17 | O35 | H35 | 0.0° | 0.1° |
| C19 | C18 | C20 | H181 | 119.8° | 120.1° |
| C19 | C18 | C20 | H182 | 119.8° | 120.0° |
| C18 | C19 | C21 | H191 | 120.2° | 120.0° |
| C18 | C19 | C21 | H192 | 120.2° | 120.0° |
| C19 | C18 | C20 | C22 | 63.3° | 60.0° |
| C18 | C19 | C21 | C24 | 55.7° | 60.0° |
| C19 | C18 | H181 | H182 | 120.4° | 120.0° |
| C18 | C19 | H191 | H192 | 119.5° | 119.9° |
| C19 | C18 | C20 | H201 | 176.9° | 180.0° |
| C19 | C18 | C20 | H202 | 56.6° | 59.9° |
| C18 | C19 | C21 | H211 | 175.8° | 179.9° |
| C18 | C19 | C21 | H212 | 64.4° | 60.0° |
| C20 | C18 | C19 | C21 | 62.0° | 60.0° |
| C18 | C20 | C22 | H201 | 119.9° | 120.0° |
| C18 | C20 | C22 | H202 | 119.9° | 120.0° |
| C18 | C20 | C22 | C24 | 59.4° | 60.0° |
| C20 | C18 | H181 | H182 | 120.5° | 119.9° |
| C20 | C18 | C19 | H191 | 58.2° | 60.0° |
| C20 | C18 | C19 | H192 | 177.8° | 180.0° |
| C18 | C20 | H201 | H202 | 120.4° | 120.1° |
| C18 | C20 | C22 | H221 | 60.7° | 60.0° |
| C18 | C20 | C22 | H222 | 179.5° | 180.0° |
| C19 | C21 | C24 | H211 | 120.1° | 120.0° |
| C19 | C21 | C24 | H212 | 120.1° | 120.0° |
| C19 | C21 | C24 | C22 | 52.2° | 60.0° |
| C19 | C21 | C24 | C30 | 171.1° | 180.0° |
| C21 | C19 | C18 | H181 | 57.8° | 60.0° |
| C21 | C19 | C18 | H182 | 178.1° | 180.0° |
| C21 | C19 | H191 | H192 | 119.5° | 120.1° |
| C19 | C21 | H211 | H212 | 119.6° | 119.9° |
| C19 | C21 | C24 | H24 | 58.6° | 60.0° |
| C20 | C22 | C24 | C21 | 54.6° | 60.0° |
| C20 | C22 | C24 | H221 | 120.1° | 119.9° |
| C20 | C22 | C24 | H222 | 120.1° | 120.0° |
| C20 | C22 | C24 | C30 | 167.9° | 180.0° |
| C22 | C20 | C18 | H181 | 56.5° | 60.0° |
| C22 | C20 | C18 | H182 | 176.9° | 180.0° |
| C22 | C20 | H201 | H202 | 120.4° | 120.0° |
| C20 | C22 | H221 | H222 | 119.7° | 120.0° |
| C20 | C22 | C24 | H24 | 56.2° | 60.1° |
| C21 | C24 | C22 | C30 | 137.5° | 120.0° |
| C21 | C24 | C22 | H24 | 110.8° | 120.1° |
| C21 | C24 | C30 | H24 | 112.4° | 120.0° |
| C21 | C24 | C30 | N32 | 56.5° | 175.0° |
| C24 | C21 | C19 | H191 | 64.5° | 60.0° |
| C24 | C21 | C19 | H192 | 175.9° | 180.0° |
| C24 | C21 | H211 | H212 | 119.7° | 120.0° |
| C21 | C24 | C22 | H221 | 65.5° | 60.0° |
| C21 | C24 | C22 | H222 | 174.7° | 180.0° |
| C21 | C24 | C30 | H301 | 177.3° | 55.0° |
| C21 | C24 | C30 | H302 | 64.4° | 65.0° |
| C22 | C24 | C30 | H24 | 111.7° | 119.9° |
| C22 | C24 | C30 | N32 | 79.4° | 65.0° |
| C24 | C22 | C20 | H201 | 179.3° | 180.0° |
| C24 | C22 | C20 | H202 | 60.5° | 60.0° |
| C22 | C24 | C21 | H211 | 172.3° | 180.0° |
| C22 | C24 | C21 | H212 | 67.8° | 60.0° |
| C24 | C22 | H221 | H222 | 119.6° | 120.1° |
| C22 | C24 | C30 | H301 | 41.4° | 175.0° |
| C22 | C24 | C30 | H302 | 159.7° | 55.0° |
| C25 | C23 | O39 | H231 | 119.8° | 119.7° |
| C25 | C23 | O39 | H232 | 119.7° | 119.6° |
| C23 | C25 | C31 | O40 | 119.8° | 118.9° |
| C23 | C25 | C31 | H25 | 118.9° | 120.5° |
| C23 | C25 | O40 | H25 | 119.8° | 119.7° |
| C23 | C25 | C31 | C29 | 169.5° | 175.0° |
| C25 | C23 | H231 | H232 | 120.7° | 120.6° |
| C23 | C25 | C31 | H311 | 49.2° | 65.0° |
| C23 | C25 | C31 | H312 | 70.1° | 54.9° |
| O39 | C23 | C25 | C31 | 168.7° | 179.3° |
| O39 | C23 | C25 | O40 | 70.4° | 59.6° |
| O39 | C23 | H231 | H232 | 120.7° | 120.6° |
| O39 | C23 | C25 | H25 | 50.0° | 60.1° |
| C24 | C30 | N32 | H301 | 120.8° | 120.0° |
| C24 | C30 | N32 | H302 | 120.9° | 120.0° |
| C24 | C30 | N32 | H32 | 72.1° | 0.0° |
| C30 | C24 | C21 | H211 | 51.0° | 60.0° |
| C30 | C24 | C21 | H212 | 68.8° | 60.0° |
| C30 | C24 | C22 | H221 | 72.0° | 60.1° |
| C30 | C24 | C22 | H222 | 47.7° | 60.0° |
| C24 | C30 | H301 | H302 | 117.4° | 120.0° |
| C31 | C25 | O40 | H25 | 120.6° | 120.5° |
| C25 | C31 | C29 | H311 | 120.4° | 120.0° |
| C25 | C31 | C29 | H312 | 120.4° | 120.1° |
| C25 | C31 | C29 | H291 | 160.9° | 60.0° |
| C25 | C31 | C29 | H292 | 39.5° | 60.0° |
| C31 | C25 | C23 | H231 | 49.0° | 60.9° |
| C31 | C25 | C23 | H232 | 71.5° | 59.7° |
| C25 | C31 | H311 | H312 | 118.9° | 120.0° |
| O40 | C25 | C31 | C29 | 49.7° | 66.2° |
| O40 | C25 | C23 | H231 | 169.8° | 179.4° |
| O40 | C25 | C23 | H232 | 49.3° | 60.0° |
| O40 | C25 | C31 | H311 | 70.6° | 53.8° |
| O40 | C25 | C31 | H312 | 170.1° | 173.7° |
| C26 | N33 | C27 | C28 | 127.1° | 123.9° |
| N33 | C26 | H261 | H262 | 117.5° | 120.0° |
| C26 | N33 | C27 | H271 | 68.4° | 43.7° |
| C26 | N33 | C27 | H272 | 51.8° | 163.6° |
| C26 | N33 | C28 | H281 | 50.6° | 76.1° |
| C26 | N33 | C28 | H282 | 169.1° | 43.9° |
| C27 | N33 | C26 | H261 | 170.4° | 70.0° |
| C27 | N33 | C26 | H262 | 52.0° | 50.1° |
| N33 | C27 | H271 | H272 | 120.4° | 119.9° |
| C27 | N33 | C28 | H281 | 178.7° | 47.8° |
| C27 | N33 | C28 | H282 | 60.2° | 167.8° |
| C28 | N33 | C26 | H261 | 37.5° | 53.9° |
| C28 | N33 | C26 | H262 | 80.9° | 174.0° |
| C28 | N33 | C27 | H271 | 164.5° | 80.2° |
| C28 | N33 | C27 | H272 | 75.3° | 39.7° |
| N33 | C28 | C14 | H14 | 68.7° | 55.4° |
| N33 | C28 | H281 | H282 | 117.6° | 120.0° |
| C31 | C29 | H291 | H292 | 122.0° | 120.0° |
| C29 | C31 | C25 | H25 | 71.6° | 54.4° |
| C29 | C31 | H311 | H312 | 118.9° | 120.0° |
| N32 | C30 | C24 | H24 | 168.9° | 55.0° |
| N32 | C30 | H301 | H302 | 117.4° | 120.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.4° |
| H1 | C1 | C3 | H3 | 0.2° | 0.3° |
| H2 | C2 | C4 | H4 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 1.0° | 0.4° |
| H131 | C13 | C14 | H14 | 180.0° | 0.0° |
| H132 | C13 | C14 | H14 | 0.0° | 180.0° |
| H14 | C14 | C28 | H281 | 170.6° | 64.7° |
| H14 | C14 | C28 | H282 | 52.1° | 175.3° |
| H32 | N32 | C30 | H301 | 48.8° | 120.0° |
| H32 | N32 | C30 | H302 | 167.1° | 119.9° |
| H291 | C29 | C31 | H311 | 40.6° | 60.0° |
| H291 | C29 | C31 | H312 | 78.7° | 180.0° |
| H292 | C29 | C31 | H311 | 80.8° | 180.0° |
| H292 | C29 | C31 | H312 | 159.9° | 60.0° |
| H181 | C18 | C19 | H191 | 178.0° | 180.0° |
| H181 | C18 | C19 | H192 | 62.3° | 60.0° |
| H181 | C18 | C20 | H201 | 63.3° | 59.9° |
| H181 | C18 | C20 | H202 | 176.4° | 180.0° |
| H182 | C18 | C19 | H191 | 61.7° | 60.0° |
| H182 | C18 | C19 | H192 | 58.0° | 60.0° |
| H182 | C18 | C20 | H201 | 57.0° | 60.0° |
| H182 | C18 | C20 | H202 | 63.2° | 60.1° |
| H191 | C19 | C21 | H211 | 55.7° | 60.1° |
| H191 | C19 | C21 | H212 | 175.4° | 180.0° |
| H192 | C19 | C21 | H211 | 64.0° | 60.0° |
| H192 | C19 | C21 | H212 | 55.8° | 59.9° |
| H201 | C20 | C22 | H221 | 59.2° | 60.0° |
| H201 | C20 | C22 | H222 | 60.6° | 60.0° |
| H202 | C20 | C22 | H221 | 179.4° | 179.9° |
| H202 | C20 | C22 | H222 | 59.6° | 60.1° |
| H211 | C21 | C24 | H24 | 61.5° | 60.0° |
| H212 | C21 | C24 | H24 | 178.7° | 180.0° |
| H221 | C22 | C24 | H24 | 176.3° | 180.0° |
| H222 | C22 | C24 | H24 | 63.9° | 59.9° |
| H24 | C24 | C30 | H301 | 70.3° | 65.1° |
| H24 | C24 | C30 | H302 | 48.0° | 174.9° |
| H231 | C23 | C25 | H25 | 69.8° | 59.6° |
| H232 | C23 | C25 | H25 | 169.7° | 179.7° |
| H25 | C25 | C31 | H311 | 168.0° | 174.4° |
| H25 | C25 | C31 | H312 | 48.8° | 65.6° |
