CS7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C10 | sing | 1.35Å | 1.33Å | |
| F2 | C12 | sing | 1.35Å | 1.33Å | |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | C21 | sing | 1.35Å | 1.36Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | C7 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C6 | sing | 1.55Å | 1.53Å | |
| C3 | N2 | sing | 1.49Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| N2 | C4 | sing | 1.48Å | 1.48Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C20 | sing | 1.48Å | 1.47Å | |
| C14 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C22 | sing | 1.51Å | 1.48Å | |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C21 | sing | 1.48Å | 1.46Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | N3 | sing | 1.35Å | 1.36Å | |
| C20 | O3 | doub | 1.22Å | 1.22Å | |
| C21 | O2 | doub | 1.22Å | 1.22Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| N3 | C33 | sing | 1.47Å | 1.46Å | |
| N3 | C30 | sing | 1.46Å | 1.46Å | |
| O4 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C10 | C9 | 120.5° | 120.0° |
| F1 | C10 | C11 | 119.3° | 120.0° |
| F2 | C12 | C11 | 119.6° | 120.0° |
| F2 | C12 | C13 | 119.9° | 120.0° |
| C1 | N1 | C21 | 120.5° | 120.0° |
| C1 | N1 | HN1 | 119.7° | 119.9° |
| N1 | C1 | C7 | 109.5° | 109.5° |
| N1 | C1 | C2 | 113.2° | 109.5° |
| N1 | C1 | H1 | 106.9° | 109.4° |
| C21 | N1 | HN1 | 119.7° | 120.0° |
| N1 | C21 | C18 | 114.9° | 120.0° |
| N1 | C21 | O2 | 122.6° | 120.0° |
| C7 | C1 | C2 | 109.4° | 109.5° |
| C7 | C1 | H1 | 110.9° | 109.5° |
| C1 | C7 | C8 | 110.5° | 109.5° |
| C1 | C7 | H71 | 109.1° | 109.5° |
| C1 | C7 | H72 | 108.9° | 109.5° |
| C2 | C1 | H1 | 107.0° | 109.5° |
| C1 | C2 | O1 | 109.3° | 109.5° |
| C1 | C2 | C3 | 112.7° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| O1 | C2 | C3 | 109.4° | 109.5° |
| O1 | C2 | H2 | 110.8° | 109.4° |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | H2 | 107.3° | 109.4° |
| C2 | C3 | C6 | 114.9° | 110.6° |
| C2 | C3 | N2 | 108.5° | 110.7° |
| C2 | C3 | H3 | 105.3° | 110.6° |
| C6 | C3 | N2 | 105.7° | 103.2° |
| C6 | C3 | H3 | 108.2° | 110.7° |
| C3 | C6 | C5 | 103.2° | 102.9° |
| C3 | C6 | H61 | 111.6° | 110.7° |
| C3 | C6 | H62 | 112.9° | 110.7° |
| N2 | C3 | H3 | 114.5° | 110.8° |
| C3 | N2 | C4 | 103.8° | 105.9° |
| C3 | N2 | HN2 | 111.4° | 111.0° |
| C4 | N2 | HN2 | 111.4° | 111.0° |
| N2 | C4 | C5 | 106.2° | 107.0° |
| N2 | C4 | H41 | 110.6° | 109.9° |
| N2 | C4 | H42 | 111.3° | 109.9° |
| C5 | C4 | H41 | 110.6° | 109.9° |
| C5 | C4 | H42 | 111.3° | 109.9° |
| C4 | C5 | C6 | 106.1° | 105.2° |
| C4 | C5 | O4 | 107.3° | 110.3° |
| C4 | C5 | H5 | 113.4° | 110.3° |
| H41 | C4 | H42 | 107.0° | 110.1° |
| C6 | C5 | O4 | 110.6° | 110.3° |
| C6 | C5 | H5 | 110.3° | 110.3° |
| C5 | C6 | H61 | 111.6° | 110.7° |
| C5 | C6 | H62 | 112.9° | 110.7° |
| O4 | C5 | H5 | 109.1° | 110.4° |
| C5 | O4 | C23 | 109.5° | 114.0° |
| H61 | C6 | H62 | 104.7° | 110.8° |
| C8 | C7 | H71 | 109.1° | 109.4° |
| C8 | C7 | H72 | 108.9° | 109.5° |
| C7 | C8 | C13 | 119.7° | 120.0° |
| C7 | C8 | C9 | 120.4° | 120.0° |
| H71 | C7 | H72 | 110.3° | 109.5° |
| C13 | C8 | C9 | 119.8° | 120.0° |
| C8 | C13 | C12 | 119.9° | 120.0° |
| C8 | C13 | H13 | 120.1° | 119.9° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C8 | C9 | H9 | 120.1° | 119.9° |
| C10 | C9 | H9 | 120.1° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C12 | C13 | H13 | 120.1° | 120.0° |
| C20 | C14 | C19 | 120.2° | 120.1° |
| C20 | C14 | C15 | 120.2° | 120.1° |
| C14 | C20 | N3 | 119.4° | 120.0° |
| C14 | C20 | O3 | 120.3° | 120.0° |
| C19 | C14 | C15 | 119.6° | 119.8° |
| C14 | C19 | C18 | 120.3° | 119.7° |
| C14 | C19 | H19 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.2° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.3° |
| C15 | C16 | C22 | 119.9° | 119.9° |
| C17 | C16 | C22 | 119.8° | 119.9° |
| C16 | C17 | C18 | 120.0° | 120.2° |
| C16 | C17 | H17 | 120.0° | 119.9° |
| C16 | C22 | H221 | 109.5° | 109.4° |
| C16 | C22 | H222 | 109.4° | 109.5° |
| C16 | C22 | H223 | 109.5° | 109.4° |
| C18 | C17 | H17 | 120.0° | 119.9° |
| C17 | C18 | C19 | 119.8° | 119.8° |
| C17 | C18 | C21 | 119.6° | 120.1° |
| C19 | C18 | C21 | 120.5° | 120.1° |
| C18 | C19 | H19 | 119.8° | 120.1° |
| C18 | C21 | O2 | 122.5° | 120.1° |
| N3 | C20 | O3 | 120.4° | 120.0° |
| C20 | N3 | C33 | 124.8° | 120.0° |
| C20 | N3 | C30 | 116.1° | 120.0° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| C33 | N3 | C30 | 119.1° | 120.0° |
| N3 | C33 | C34 | 109.1° | 109.4° |
| N3 | C33 | H331 | 109.6° | 109.4° |
| N3 | C33 | H332 | 109.7° | 109.5° |
| N3 | C30 | C31 | 110.5° | 109.5° |
| N3 | C30 | H301 | 109.1° | 109.5° |
| N3 | C30 | H302 | 108.9° | 109.5° |
| O4 | C23 | C24 | 110.0° | 109.5° |
| O4 | C23 | H231 | 109.3° | 109.5° |
| O4 | C23 | H232 | 109.2° | 109.5° |
| C24 | C23 | H231 | 109.3° | 109.5° |
| C24 | C23 | H232 | 109.2° | 109.5° |
| C23 | C24 | C29 | 119.0° | 120.0° |
| C23 | C24 | C25 | 121.2° | 120.0° |
| H231 | C23 | H232 | 109.9° | 109.4° |
| C29 | C24 | C25 | 119.8° | 120.0° |
| C24 | C29 | C28 | 120.1° | 120.1° |
| C24 | C29 | H29 | 120.0° | 119.9° |
| C24 | C25 | C26 | 120.1° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C31 | C30 | H301 | 109.2° | 109.5° |
| C31 | C30 | H302 | 108.9° | 109.5° |
| C30 | C31 | C32 | 113.8° | 109.5° |
| C30 | C31 | H311 | 108.1° | 109.5° |
| C30 | C31 | H312 | 107.1° | 109.4° |
| H301 | C30 | H302 | 110.3° | 109.5° |
| C32 | C31 | H311 | 108.0° | 109.5° |
| C32 | C31 | H312 | 107.0° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.4° | 109.5° |
| C31 | C32 | H323 | 109.4° | 109.5° |
| H311 | C31 | H312 | 112.9° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| C34 | C33 | H331 | 109.6° | 109.5° |
| C34 | C33 | H332 | 109.7° | 109.5° |
| C33 | C34 | C35 | 112.7° | 109.4° |
| C33 | C34 | H341 | 108.4° | 109.5° |
| C33 | C34 | H342 | 107.7° | 109.5° |
| H331 | C33 | H332 | 109.2° | 109.5° |
| C35 | C34 | H341 | 108.4° | 109.5° |
| C35 | C34 | H342 | 107.7° | 109.4° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| H341 | C34 | H342 | 112.0° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C10 | C9 | C8 | 179.9° | 180.0° |
| F1 | C10 | C9 | C11 | 180.0° | 180.0° |
| F1 | C10 | C9 | H9 | 0.1° | 0.0° |
| F1 | C10 | C11 | C12 | 180.0° | 180.0° |
| F1 | C10 | C11 | H11 | 0.0° | 0.0° |
| F2 | C12 | C13 | C8 | 179.9° | 179.7° |
| F2 | C12 | C11 | C10 | 180.0° | 180.0° |
| F2 | C12 | C11 | C13 | 180.0° | 179.8° |
| F2 | C12 | C11 | H11 | 0.0° | 0.0° |
| F2 | C12 | C13 | H13 | 0.0° | 0.0° |
| C1 | N1 | C21 | HN1 | 180.0° | 179.7° |
| N1 | C1 | C7 | C2 | 124.5° | 120.0° |
| N1 | C1 | C7 | H1 | 117.7° | 120.0° |
| N1 | C1 | C2 | H1 | 117.5° | 120.0° |
| N1 | C1 | C2 | O1 | 179.0° | 65.0° |
| N1 | C1 | C2 | C3 | 59.1° | 175.0° |
| N1 | C1 | C2 | H2 | 58.8° | 55.0° |
| N1 | C1 | C7 | C8 | 47.5° | 65.0° |
| N1 | C1 | C7 | H71 | 72.5° | 55.0° |
| N1 | C1 | C7 | H72 | 167.1° | 175.0° |
| C1 | N1 | C21 | C18 | 178.8° | 180.0° |
| C1 | N1 | C21 | O2 | 1.0° | 0.0° |
| C21 | N1 | C1 | C7 | 131.0° | 85.0° |
| C21 | N1 | C1 | C2 | 106.7° | 155.0° |
| C21 | N1 | C1 | H1 | 10.8° | 35.0° |
| N1 | C21 | C18 | C17 | 150.0° | 0.0° |
| N1 | C21 | C18 | C19 | 30.9° | 179.7° |
| N1 | C21 | C18 | O2 | 179.8° | 180.0° |
| HN1 | N1 | C1 | C7 | 49.0° | 95.3° |
| HN1 | N1 | C1 | C2 | 73.3° | 24.7° |
| HN1 | N1 | C1 | H1 | 169.2° | 144.7° |
| HN1 | N1 | C21 | C18 | 1.2° | 0.3° |
| HN1 | N1 | C21 | O2 | 179.0° | 179.7° |
| C7 | C1 | C2 | H1 | 120.2° | 120.0° |
| C7 | C1 | C2 | O1 | 56.7° | 55.0° |
| C7 | C1 | C2 | C3 | 178.5° | 65.0° |
| C7 | C1 | C2 | H2 | 63.5° | 175.0° |
| C1 | C7 | C8 | H71 | 120.0° | 120.0° |
| C1 | C7 | C8 | H72 | 119.6° | 120.0° |
| C1 | C7 | H71 | H72 | 119.5° | 120.0° |
| C1 | C7 | C8 | C13 | 58.7° | 90.0° |
| C1 | C7 | C8 | C9 | 121.2° | 89.7° |
| C1 | C2 | O1 | C3 | 123.8° | 120.0° |
| C1 | C2 | O1 | H2 | 118.1° | 120.0° |
| C1 | C2 | C3 | H2 | 118.0° | 120.0° |
| C1 | C2 | C3 | C6 | 67.6° | 180.0° |
| C1 | C2 | C3 | N2 | 174.4° | 66.2° |
| C1 | C2 | C3 | H3 | 51.3° | 57.0° |
| C1 | C2 | O1 | HO1 | 153.3° | 60.0° |
| C2 | C1 | C7 | C8 | 172.0° | 175.0° |
| C2 | C1 | C7 | H71 | 52.0° | 65.0° |
| C2 | C1 | C7 | H72 | 68.4° | 55.0° |
| H1 | C1 | C2 | O1 | 63.5° | 175.0° |
| H1 | C1 | C2 | C3 | 58.4° | 55.0° |
| H1 | C1 | C2 | H2 | 176.3° | 65.0° |
| H1 | C1 | C7 | C8 | 70.2° | 55.0° |
| H1 | C1 | C7 | H71 | 169.8° | 175.0° |
| H1 | C1 | C7 | H72 | 49.4° | 65.0° |
| O1 | C2 | C3 | H2 | 120.3° | 120.0° |
| O1 | C2 | C3 | C6 | 54.2° | 60.0° |
| O1 | C2 | C3 | N2 | 63.8° | 173.7° |
| O1 | C2 | C3 | H3 | 173.1° | 63.0° |
| C2 | C3 | C6 | N2 | 119.6° | 118.4° |
| C2 | C3 | C6 | H3 | 117.3° | 122.9° |
| C2 | C3 | N2 | H3 | 117.4° | 123.1° |
| C3 | C2 | O1 | HO1 | 29.5° | 60.0° |
| C2 | C3 | N2 | C4 | 163.5° | 157.6° |
| C2 | C3 | N2 | HN2 | 43.5° | 37.1° |
| C2 | C3 | C6 | C5 | 149.9° | 155.8° |
| C2 | C3 | C6 | H61 | 90.1° | 85.8° |
| C2 | C3 | C6 | H62 | 27.6° | 37.5° |
| H2 | C2 | C3 | C6 | 174.5° | 60.0° |
| H2 | C2 | C3 | N2 | 56.5° | 53.8° |
| H2 | C2 | C3 | H3 | 66.6° | 177.0° |
| H2 | C2 | O1 | HO1 | 88.6° | 180.0° |
| C6 | C3 | N2 | H3 | 119.0° | 118.5° |
| C6 | C3 | N2 | C4 | 39.8° | 39.2° |
| C6 | C3 | N2 | HN2 | 80.2° | 81.3° |
| C3 | C6 | C5 | C4 | 9.7° | 22.0° |
| C3 | C6 | C5 | H61 | 120.0° | 118.3° |
| C3 | C6 | C5 | H62 | 122.3° | 118.3° |
| C3 | C6 | C5 | O4 | 125.7° | 140.9° |
| C3 | C6 | C5 | H5 | 113.5° | 97.0° |
| C3 | C6 | H61 | H62 | 122.5° | 123.3° |
| C3 | N2 | C4 | HN2 | 120.0° | 120.5° |
| C3 | N2 | C4 | C5 | 33.1° | 25.3° |
| C3 | N2 | C4 | H41 | 153.1° | 144.7° |
| C3 | N2 | C4 | H42 | 88.2° | 94.0° |
| N2 | C3 | C6 | C5 | 30.3° | 37.4° |
| N2 | C3 | C6 | H61 | 150.3° | 155.8° |
| N2 | C3 | C6 | H62 | 92.0° | 80.9° |
| H3 | C3 | N2 | C4 | 79.2° | 79.3° |
| H3 | C3 | N2 | HN2 | 160.8° | 160.2° |
| H3 | C3 | C6 | C5 | 92.8° | 81.2° |
| H3 | C3 | C6 | H61 | 27.2° | 37.1° |
| H3 | C3 | C6 | H62 | 144.9° | 160.5° |
| N2 | C4 | C5 | H41 | 120.0° | 119.4° |
| N2 | C4 | C5 | H42 | 121.2° | 119.3° |
| N2 | C4 | H41 | H42 | 121.3° | 121.2° |
| N2 | C4 | C5 | C6 | 14.1° | 1.2° |
| N2 | C4 | C5 | O4 | 104.2° | 117.7° |
| N2 | C4 | C5 | H5 | 135.3° | 120.1° |
| HN2 | N2 | C4 | C5 | 86.9° | 95.2° |
| HN2 | N2 | C4 | H41 | 33.1° | 24.2° |
| HN2 | N2 | C4 | H42 | 151.8° | 145.5° |
| C5 | C4 | H41 | H42 | 121.3° | 121.2° |
| C4 | C5 | C6 | O4 | 116.0° | 118.9° |
| C4 | C5 | C6 | H5 | 123.2° | 118.9° |
| C4 | C5 | O4 | H5 | 123.2° | 122.1° |
| C4 | C5 | C6 | H61 | 129.7° | 140.3° |
| C4 | C5 | C6 | H62 | 112.6° | 96.4° |
| C4 | C5 | O4 | C23 | 176.9° | 91.4° |
| H41 | C4 | C5 | C6 | 134.1° | 120.6° |
| H41 | C4 | C5 | O4 | 15.8° | 1.6° |
| H41 | C4 | C5 | H5 | 104.7° | 120.5° |
| H42 | C4 | C5 | C6 | 107.2° | 118.1° |
| H42 | C4 | C5 | O4 | 134.6° | 123.0° |
| H42 | C4 | C5 | H5 | 14.0° | 0.8° |
| C6 | C5 | O4 | H5 | 121.5° | 122.1° |
| C5 | C6 | H61 | H62 | 122.5° | 123.2° |
| C6 | C5 | O4 | C23 | 67.8° | 152.8° |
| O4 | C5 | C6 | H61 | 114.3° | 100.8° |
| O4 | C5 | C6 | H62 | 3.4° | 22.6° |
| C5 | O4 | C23 | C24 | 135.6° | 180.0° |
| C5 | O4 | C23 | H231 | 104.4° | 60.0° |
| C5 | O4 | C23 | H232 | 15.8° | 60.0° |
| H5 | C5 | C6 | H61 | 6.5° | 21.4° |
| H5 | C5 | C6 | H62 | 124.2° | 144.7° |
| H5 | C5 | O4 | C23 | 53.7° | 30.7° |
| C8 | C7 | H71 | H72 | 119.6° | 120.0° |
| C7 | C8 | C13 | C9 | 179.9° | 179.7° |
| C7 | C8 | C9 | C10 | 180.0° | 180.0° |
| C7 | C8 | C9 | H9 | 0.0° | 0.0° |
| C7 | C8 | C13 | C12 | 179.9° | 179.7° |
| C7 | C8 | C13 | H13 | 0.1° | 0.1° |
| H71 | C7 | C8 | C13 | 178.7° | 30.0° |
| H71 | C7 | C8 | C9 | 1.2° | 150.3° |
| H72 | C7 | C8 | C13 | 60.9° | 150.0° |
| H72 | C7 | C8 | C9 | 119.2° | 30.3° |
| C13 | C8 | C9 | C10 | 0.1° | 0.3° |
| C13 | C8 | C9 | H9 | 179.9° | 179.8° |
| C8 | C13 | C12 | C11 | 0.1° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.7° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.6° |
| C9 | C8 | C13 | H13 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| H9 | C9 | C10 | C11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.3° |
| C11 | C12 | C13 | H13 | 180.0° | 179.8° |
| H11 | C11 | C12 | C13 | 180.0° | 179.7° |
| C20 | C14 | C19 | C15 | 177.9° | 179.7° |
| C20 | C14 | C15 | C16 | 178.6° | 180.0° |
| C20 | C14 | C15 | H15 | 1.4° | 0.0° |
| C20 | C14 | C19 | C18 | 178.4° | 179.7° |
| C20 | C14 | C19 | H19 | 1.6° | 0.0° |
| C14 | C20 | N3 | O3 | 179.3° | 180.0° |
| C14 | C20 | N3 | C33 | 1.4° | 174.1° |
| C14 | C20 | N3 | C30 | 179.2° | 5.9° |
| C19 | C14 | C15 | C16 | 0.7° | 0.2° |
| C19 | C14 | C15 | H15 | 179.3° | 179.8° |
| C14 | C19 | C18 | C17 | 0.0° | 0.5° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C14 | C19 | C18 | C21 | 179.1° | 179.7° |
| C19 | C14 | C20 | N3 | 59.5° | 134.3° |
| C19 | C14 | C20 | O3 | 119.8° | 45.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | C22 | 179.7° | 180.0° |
| C15 | C14 | C19 | C18 | 0.5° | 0.5° |
| C15 | C14 | C19 | H19 | 179.5° | 179.7° |
| C15 | C14 | C20 | N3 | 122.6° | 45.5° |
| C15 | C14 | C20 | O3 | 58.1° | 134.5° |
| C15 | C16 | C17 | C22 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C15 | C16 | C22 | H221 | 97.2° | 90.0° |
| C15 | C16 | C22 | H222 | 22.8° | 150.0° |
| C15 | C16 | C22 | H223 | 142.8° | 30.0° |
| H15 | C15 | C16 | C17 | 179.6° | 180.0° |
| H15 | C15 | C16 | C22 | 0.3° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.3° |
| C16 | C17 | C18 | C21 | 179.4° | 180.0° |
| C17 | C16 | C22 | H221 | 82.7° | 90.0° |
| C17 | C16 | C22 | H222 | 157.3° | 30.0° |
| C17 | C16 | C22 | H223 | 37.3° | 150.0° |
| C22 | C16 | C17 | C18 | 179.8° | 180.0° |
| C22 | C16 | C17 | H17 | 0.2° | 0.0° |
| C16 | C22 | H221 | H222 | 120.0° | 120.0° |
| C16 | C22 | H221 | H223 | 120.0° | 120.0° |
| C16 | C22 | H222 | H223 | 120.0° | 120.0° |
| C17 | C18 | C19 | C21 | 179.1° | 179.7° |
| C17 | C18 | C19 | H19 | 180.0° | 179.7° |
| C17 | C18 | C21 | O2 | 30.1° | 180.0° |
| H17 | C17 | C18 | C19 | 179.7° | 179.8° |
| H17 | C17 | C18 | C21 | 0.6° | 0.0° |
| C19 | C18 | C21 | O2 | 148.9° | 0.3° |
| C21 | C18 | C19 | H19 | 0.9° | 0.0° |
| C20 | N3 | C33 | C30 | 179.3° | 180.0° |
| C20 | N3 | C30 | C31 | 109.4° | 98.1° |
| C20 | N3 | C30 | H301 | 130.6° | 141.9° |
| C20 | N3 | C30 | H302 | 10.2° | 21.9° |
| C20 | N3 | C33 | C34 | 120.1° | 90.0° |
| C20 | N3 | C33 | H331 | 119.9° | 150.0° |
| C20 | N3 | C33 | H332 | 0.0° | 30.0° |
| O3 | C20 | N3 | C33 | 179.3° | 5.9° |
| O3 | C20 | N3 | C30 | 0.1° | 174.1° |
| H221 | C22 | H222 | H223 | 120.0° | 120.1° |
| C33 | N3 | C30 | C31 | 71.2° | 81.9° |
| C33 | N3 | C30 | H301 | 48.8° | 38.0° |
| C33 | N3 | C30 | H302 | 169.2° | 158.1° |
| N3 | C33 | C34 | H331 | 120.0° | 120.0° |
| N3 | C33 | C34 | H332 | 120.2° | 120.0° |
| N3 | C33 | H331 | H332 | 120.2° | 120.0° |
| N3 | C33 | C34 | C35 | 44.4° | 180.0° |
| N3 | C33 | C34 | H341 | 75.6° | 60.1° |
| N3 | C33 | C34 | H342 | 163.0° | 60.0° |
| N3 | C30 | C31 | H301 | 120.0° | 120.0° |
| N3 | C30 | C31 | H302 | 119.6° | 120.0° |
| N3 | C30 | H301 | H302 | 119.6° | 120.0° |
| N3 | C30 | C31 | C32 | 49.1° | 174.6° |
| N3 | C30 | C31 | H311 | 70.9° | 54.6° |
| N3 | C30 | C31 | H312 | 167.2° | 65.4° |
| C30 | N3 | C33 | C34 | 59.2° | 90.0° |
| C30 | N3 | C33 | H331 | 60.8° | 30.0° |
| C30 | N3 | C33 | H332 | 179.4° | 150.0° |
| O4 | C23 | C24 | H231 | 120.0° | 120.0° |
| O4 | C23 | C24 | H232 | 119.8° | 120.1° |
| O4 | C23 | H231 | H232 | 119.8° | 120.0° |
| O4 | C23 | C24 | C29 | 173.8° | 90.0° |
| O4 | C23 | C24 | C25 | 6.3° | 89.7° |
| C24 | C23 | H231 | H232 | 119.8° | 120.0° |
| C23 | C24 | C29 | C25 | 179.9° | 179.7° |
| C23 | C24 | C25 | C26 | 180.0° | 179.9° |
| C23 | C24 | C25 | H25 | 0.0° | 0.1° |
| C23 | C24 | C29 | C28 | 180.0° | 179.8° |
| C23 | C24 | C29 | H29 | 0.0° | 0.0° |
| H231 | C23 | C24 | C29 | 66.2° | 30.1° |
| H231 | C23 | C24 | C25 | 113.7° | 150.3° |
| H232 | C23 | C24 | C29 | 54.0° | 150.0° |
| H232 | C23 | C24 | C25 | 126.1° | 30.3° |
| C29 | C24 | C25 | C26 | 0.1° | 0.3° |
| C29 | C24 | C25 | H25 | 179.9° | 179.7° |
| C24 | C29 | C28 | C27 | 0.1° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C24 | C29 | C28 | H28 | 179.9° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C24 | C29 | C28 | 0.1° | 0.5° |
| C25 | C24 | C29 | H29 | 179.9° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.2° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| H26 | C26 | C27 | C28 | 180.0° | 180.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | H29 | 179.9° | 179.7° |
| H27 | C27 | C28 | C29 | 180.0° | 179.9° |
| H27 | C27 | C28 | H28 | 0.0° | 0.1° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| C31 | C30 | H301 | H302 | 119.6° | 120.0° |
| C30 | C31 | C32 | H311 | 120.0° | 120.0° |
| C30 | C31 | C32 | H312 | 118.1° | 120.0° |
| C30 | C31 | H311 | H312 | 118.2° | 119.9° |
| C30 | C31 | C32 | H321 | 166.5° | 180.0° |
| C30 | C31 | C32 | H322 | 73.5° | 60.0° |
| C30 | C31 | C32 | H323 | 46.5° | 60.0° |
| H301 | C30 | C31 | C32 | 169.1° | 65.4° |
| H301 | C30 | C31 | H311 | 49.1° | 174.6° |
| H301 | C30 | C31 | H312 | 72.8° | 54.6° |
| H302 | C30 | C31 | C32 | 70.5° | 54.6° |
| H302 | C30 | C31 | H311 | 169.5° | 65.4° |
| H302 | C30 | C31 | H312 | 47.6° | 174.6° |
| C32 | C31 | H311 | H312 | 118.2° | 120.1° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.1° |
| H311 | C31 | C32 | H321 | 46.5° | 60.0° |
| H311 | C31 | C32 | H322 | 166.5° | 180.0° |
| H311 | C31 | C32 | H323 | 73.5° | 60.0° |
| H312 | C31 | C32 | H321 | 75.4° | 60.1° |
| H312 | C31 | C32 | H322 | 44.6° | 60.0° |
| H312 | C31 | C32 | H323 | 164.7° | 180.0° |
| H321 | C32 | H322 | H323 | 120.0° | 119.9° |
| C34 | C33 | H331 | H332 | 120.1° | 120.0° |
| C33 | C34 | C35 | H341 | 120.0° | 120.0° |
| C33 | C34 | C35 | H342 | 118.6° | 120.0° |
| C33 | C34 | H341 | H342 | 118.7° | 120.1° |
| C33 | C34 | C35 | H351 | 14.1° | 60.0° |
| C33 | C34 | C35 | H352 | 134.1° | 180.0° |
| C33 | C34 | C35 | H353 | 105.9° | 60.0° |
| H331 | C33 | C34 | C35 | 164.4° | 60.0° |
| H331 | C33 | C34 | H341 | 44.4° | 180.0° |
| H331 | C33 | C34 | H342 | 77.0° | 59.9° |
| H332 | C33 | C34 | C35 | 75.8° | 60.0° |
| H332 | C33 | C34 | H341 | 164.2° | 60.0° |
| H332 | C33 | C34 | H342 | 42.8° | 180.0° |
| C35 | C34 | H341 | H342 | 118.7° | 120.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.1° |
| H341 | C34 | C35 | H351 | 105.8° | 60.0° |
| H341 | C34 | C35 | H352 | 14.1° | 60.0° |
| H341 | C34 | C35 | H353 | 134.1° | 180.0° |
| H342 | C34 | C35 | H351 | 132.8° | 180.0° |
| H342 | C34 | C35 | H352 | 107.2° | 60.1° |
| H342 | C34 | C35 | H353 | 12.8° | 60.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
