7AK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C10 | sing | 1.53Å | 1.52Å | |
| O11 | C11 | sing | 1.43Å | 1.42Å | |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | doub | 1.31Å | 1.33Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C12 | C28 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | doub | 1.33Å | 1.31Å | |
| O5 | C5 | sing | 1.46Å | 1.43Å | |
| O5 | C1 | sing | 1.35Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | doub | 1.31Å | 1.34Å | |
| C22 | C23 | sing | 1.47Å | 1.45Å | |
| C22 | C21 | doub | 1.33Å | 1.33Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C29 | sing | 1.51Å | 1.49Å | |
| C4 | C26 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C25 | sing | 1.53Å | 1.51Å | |
| C32 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| O19 | C19 | sing | 1.45Å | 1.42Å | |
| O19 | C33 | sing | 1.35Å | 1.45Å | |
| N33 | C33 | sing | 1.35Å | 1.32Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C30 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C31 | sing | 1.53Å | 1.51Å | |
| C33 | O33 | doub | 1.22Å | 1.21Å | |
| C17 | O17 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H333 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C10 | C9 | 107.9° | 109.5° |
| C27 | C10 | C11 | 108.2° | 109.5° |
| C27 | C10 | H10 | 109.3° | 109.5° |
| C10 | C27 | H272 | 109.5° | 109.5° |
| C10 | C27 | H273 | 109.5° | 109.5° |
| C10 | C27 | H271 | 109.5° | 109.4° |
| O11 | C11 | C10 | 108.9° | 109.5° |
| O11 | C11 | C12 | 109.8° | 109.4° |
| O11 | C11 | H11 | 108.2° | 109.4° |
| C11 | O11 | HO11 | 109.5° | 114.0° |
| O7 | C7 | C8 | 110.0° | 109.4° |
| O7 | C7 | C6 | 107.1° | 109.5° |
| O7 | C7 | H7 | 111.6° | 109.5° |
| C7 | O7 | HO7 | 109.5° | 114.0° |
| C9 | C10 | C11 | 112.9° | 109.5° |
| C10 | C9 | C8 | 125.5° | 120.0° |
| C10 | C9 | H9 | 117.2° | 120.0° |
| C9 | C10 | H10 | 109.4° | 109.4° |
| C10 | C11 | C12 | 115.8° | 109.5° |
| C10 | C11 | H11 | 106.9° | 109.5° |
| C11 | C10 | H10 | 109.1° | 109.5° |
| C9 | C8 | C7 | 125.9° | 120.0° |
| C9 | C8 | H8 | 117.0° | 120.0° |
| C8 | C9 | H9 | 117.3° | 120.0° |
| C11 | C12 | C28 | 108.5° | 109.5° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H11 | 107.0° | 109.5° |
| C11 | C12 | H12 | 109.6° | 109.4° |
| C8 | C7 | C6 | 107.7° | 109.5° |
| C8 | C7 | H7 | 110.3° | 109.5° |
| C7 | C8 | H8 | 117.1° | 120.0° |
| C7 | C6 | C5 | 113.1° | 109.5° |
| C7 | C6 | H62 | 108.6° | 109.5° |
| C7 | C6 | H61 | 108.6° | 109.5° |
| C6 | C7 | H7 | 110.0° | 109.5° |
| C28 | C12 | C13 | 106.8° | 109.5° |
| C28 | C12 | H12 | 109.9° | 109.5° |
| C12 | C28 | H282 | 109.5° | 109.5° |
| C12 | C28 | H281 | 109.5° | 109.5° |
| C12 | C28 | H283 | 109.4° | 109.5° |
| C12 | C13 | C14 | 127.1° | 120.0° |
| C13 | C12 | H12 | 109.9° | 109.5° |
| C12 | C13 | H1 | 116.5° | 120.0° |
| C6 | C5 | O5 | 109.4° | 109.6° |
| C6 | C5 | C4 | 110.3° | 109.5° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C5 | C6 | H62 | 108.6° | 109.5° |
| C5 | C6 | H61 | 108.5° | 109.4° |
| C24 | C23 | C22 | 119.3° | 120.0° |
| C24 | C23 | H23 | 120.4° | 120.0° |
| C23 | C24 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C5 | O5 | C1 | 120.4° | 115.7° |
| O5 | C5 | C4 | 114.1° | 109.2° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| O5 | C1 | O1 | 118.7° | 121.0° |
| O5 | C1 | C2 | 120.1° | 118.1° |
| C5 | C4 | C26 | 113.0° | 109.5° |
| C5 | C4 | C3 | 107.8° | 109.3° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C4 | C5 | H5 | 107.2° | 109.5° |
| C13 | C14 | C15 | 124.7° | 120.0° |
| C13 | C14 | C29 | 115.6° | 120.0° |
| C14 | C13 | H1 | 116.5° | 120.0° |
| C23 | C22 | C21 | 125.1° | 120.0° |
| C23 | C22 | H22 | 117.5° | 120.0° |
| C22 | C23 | H23 | 120.3° | 120.0° |
| C22 | C21 | C20 | 124.7° | 120.0° |
| C22 | C21 | H21 | 117.6° | 120.0° |
| C21 | C22 | H22 | 117.4° | 120.0° |
| O1 | C1 | C2 | 121.1° | 120.9° |
| C1 | C2 | C3 | 112.7° | 108.4° |
| C1 | C2 | C25 | 109.4° | 109.6° |
| C1 | C2 | H2 | 109.0° | 109.7° |
| O3 | C3 | C4 | 108.8° | 109.6° |
| O3 | C3 | C2 | 109.0° | 109.6° |
| O3 | C3 | H3 | 109.1° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C21 | C20 | C32 | 107.4° | 109.4° |
| C21 | C20 | C19 | 111.6° | 109.5° |
| C21 | C20 | H20 | 109.3° | 109.5° |
| C20 | C21 | H21 | 117.6° | 120.0° |
| C15 | C14 | C29 | 119.7° | 120.0° |
| C14 | C15 | C16 | 116.6° | 109.5° |
| C14 | C15 | H152 | 107.7° | 109.5° |
| C14 | C15 | H151 | 107.6° | 109.4° |
| C14 | C29 | H293 | 109.5° | 109.5° |
| C14 | C29 | H291 | 109.5° | 109.5° |
| C14 | C29 | H292 | 109.5° | 109.5° |
| C26 | C4 | C3 | 109.7° | 109.5° |
| C26 | C4 | H4 | 108.8° | 109.5° |
| C4 | C26 | H262 | 109.5° | 109.4° |
| C4 | C26 | H261 | 109.5° | 109.5° |
| C4 | C26 | H263 | 109.5° | 109.5° |
| C4 | C3 | C2 | 114.1° | 109.0° |
| C3 | C4 | H4 | 108.7° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C15 | C16 | C17 | 111.9° | 109.5° |
| C15 | C16 | C30 | 109.1° | 109.5° |
| C16 | C15 | H152 | 107.6° | 109.5° |
| C16 | C15 | H151 | 107.7° | 109.4° |
| C15 | C16 | H16 | 108.8° | 109.4° |
| C3 | C2 | C25 | 108.1° | 109.7° |
| C2 | C3 | H3 | 107.9° | 109.6° |
| C3 | C2 | H2 | 108.7° | 109.7° |
| C25 | C2 | H2 | 108.8° | 109.7° |
| C2 | C25 | H252 | 109.5° | 109.5° |
| C2 | C25 | H251 | 109.5° | 109.5° |
| C2 | C25 | H253 | 109.5° | 109.4° |
| C32 | C20 | C19 | 110.3° | 109.5° |
| C32 | C20 | H20 | 109.2° | 109.5° |
| C20 | C32 | H333 | 109.5° | 109.5° |
| C20 | C32 | H322 | 109.5° | 109.4° |
| C20 | C32 | H321 | 109.5° | 109.5° |
| C20 | C19 | O19 | 106.4° | 109.5° |
| C20 | C19 | C18 | 114.7° | 109.4° |
| C20 | C19 | H19 | 108.6° | 109.5° |
| C19 | C20 | H20 | 109.0° | 109.5° |
| C19 | O19 | C33 | 120.6° | 117.0° |
| O19 | C19 | C18 | 108.8° | 109.5° |
| O19 | C19 | H19 | 110.0° | 109.5° |
| O19 | C33 | N33 | 118.4° | 120.0° |
| O19 | C33 | O33 | 121.1° | 120.0° |
| N33 | C33 | O33 | 120.6° | 120.0° |
| C33 | N33 | H332 | 120.0° | 120.0° |
| C33 | N33 | H331 | 120.0° | 120.0° |
| C17 | C16 | C30 | 109.5° | 109.5° |
| C16 | C17 | C18 | 114.3° | 109.5° |
| C16 | C17 | O17 | 109.9° | 109.4° |
| C17 | C16 | H16 | 108.6° | 109.4° |
| C16 | C17 | H17 | 106.9° | 109.5° |
| C30 | C16 | H16 | 108.9° | 109.5° |
| C16 | C30 | H302 | 109.5° | 109.5° |
| C16 | C30 | H303 | 109.5° | 109.5° |
| C16 | C30 | H301 | 109.5° | 109.5° |
| C19 | C18 | C17 | 114.7° | 109.5° |
| C19 | C18 | C31 | 108.8° | 109.4° |
| C19 | C18 | H18 | 107.0° | 109.5° |
| C18 | C19 | H19 | 108.4° | 109.4° |
| C17 | C18 | C31 | 111.5° | 109.5° |
| C18 | C17 | O17 | 110.4° | 109.4° |
| C18 | C17 | H17 | 106.9° | 109.5° |
| C17 | C18 | H18 | 107.1° | 109.5° |
| C31 | C18 | H18 | 107.3° | 109.4° |
| C18 | C31 | H313 | 109.5° | 109.5° |
| C18 | C31 | H311 | 109.5° | 109.4° |
| C18 | C31 | H312 | 109.5° | 109.5° |
| O17 | C17 | H17 | 108.2° | 109.5° |
| C17 | O17 | HO17 | 109.5° | 114.0° |
| H62 | C6 | H61 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H273 | C27 | H271 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.4° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.4° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H332 | N33 | H331 | 120.0° | 119.9° |
| H333 | C32 | H322 | 109.5° | 109.5° |
| H333 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H242 | C24 | H241 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C10 | C11 | O11 | 57.0° | 180.0° |
| C27 | C10 | C9 | C11 | 119.5° | 120.0° |
| C27 | C10 | C9 | H10 | 118.8° | 120.0° |
| C27 | C10 | C11 | H10 | 118.9° | 120.1° |
| C27 | C10 | C9 | C8 | 100.8° | 112.6° |
| C27 | C10 | C11 | C12 | 178.8° | 60.0° |
| C27 | C10 | C11 | H11 | 59.7° | 60.0° |
| C27 | C10 | C9 | H9 | 79.2° | 67.4° |
| C10 | C27 | H272 | H273 | 120.0° | 120.1° |
| C10 | C27 | H272 | H271 | 120.0° | 120.0° |
| C10 | C27 | H273 | H271 | 120.0° | 120.0° |
| O11 | C11 | C10 | C9 | 62.2° | 60.0° |
| O11 | C11 | C10 | C12 | 124.2° | 120.0° |
| O11 | C11 | C10 | H11 | 116.7° | 120.0° |
| O11 | C11 | C12 | H11 | 117.2° | 119.9° |
| O11 | C11 | C12 | C28 | 66.5° | 55.1° |
| O11 | C11 | C12 | C13 | 175.8° | 65.0° |
| O11 | C11 | C10 | H10 | 175.9° | 59.9° |
| O11 | C11 | C12 | H12 | 53.5° | 175.0° |
| O7 | C7 | C8 | C9 | 100.2° | 126.3° |
| O7 | C7 | C8 | C6 | 116.4° | 120.0° |
| O7 | C7 | C8 | H7 | 123.5° | 120.0° |
| O7 | C7 | C6 | H7 | 121.4° | 120.0° |
| O7 | C7 | C6 | C5 | 62.1° | 65.0° |
| O7 | C7 | C6 | H62 | 58.4° | 175.0° |
| O7 | C7 | C6 | H61 | 177.4° | 55.0° |
| O7 | C7 | C8 | H8 | 79.8° | 53.7° |
| C9 | C10 | C11 | H10 | 121.9° | 119.9° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 61.9° | 179.9° |
| C10 | C9 | C8 | C7 | 0.6° | 7.5° |
| C9 | C10 | C11 | H11 | 178.9° | 60.0° |
| C10 | C9 | C8 | H8 | 179.4° | 172.5° |
| C9 | C10 | C27 | H272 | 180.0° | 60.0° |
| C9 | C10 | C27 | H273 | 60.0° | 60.1° |
| C9 | C10 | C27 | H271 | 60.0° | 180.0° |
| C11 | C10 | C9 | C8 | 139.8° | 127.4° |
| C10 | C11 | C12 | H11 | 119.1° | 120.0° |
| C10 | C11 | C12 | C28 | 169.8° | 65.0° |
| C10 | C11 | C12 | C13 | 52.1° | 175.0° |
| C11 | C10 | C9 | H9 | 40.2° | 52.7° |
| C10 | C11 | C12 | H12 | 70.2° | 55.0° |
| C11 | C10 | C27 | H272 | 57.6° | 60.0° |
| C11 | C10 | C27 | H273 | 62.4° | 179.9° |
| C11 | C10 | C27 | H271 | 177.6° | 60.0° |
| C10 | C11 | O11 | HO11 | 180.0° | 60.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 143.4° | 113.7° |
| C9 | C8 | C7 | H7 | 23.3° | 6.3° |
| C8 | C9 | C10 | H10 | 18.1° | 7.5° |
| C11 | C12 | C28 | C13 | 121.0° | 120.0° |
| C11 | C12 | C28 | H12 | 119.8° | 119.9° |
| C11 | C12 | C13 | H12 | 122.2° | 119.9° |
| C11 | C12 | C13 | C14 | 123.0° | 112.7° |
| C12 | C11 | C10 | H10 | 59.9° | 60.0° |
| C11 | C12 | C13 | H1 | 57.0° | 67.3° |
| C12 | C11 | O11 | HO11 | 52.3° | 60.0° |
| C11 | C12 | C28 | H282 | 180.0° | 175.5° |
| C11 | C12 | C28 | H281 | 60.0° | 55.5° |
| C11 | C12 | C28 | H283 | 60.0° | 64.5° |
| C8 | C7 | C6 | H7 | 120.2° | 120.0° |
| C8 | C7 | C6 | C5 | 179.6° | 175.0° |
| C8 | C7 | C6 | H62 | 59.9° | 55.0° |
| C8 | C7 | C6 | H61 | 59.1° | 65.0° |
| C7 | C8 | C9 | H9 | 179.3° | 172.4° |
| C8 | C7 | O7 | HO7 | 180.0° | 55.0° |
| C7 | C6 | C5 | H62 | 120.5° | 120.0° |
| C7 | C6 | C5 | H61 | 120.5° | 120.0° |
| C7 | C6 | C5 | O5 | 45.4° | 65.3° |
| C7 | C6 | C5 | C4 | 171.7° | 175.0° |
| C7 | C6 | C5 | H5 | 71.8° | 54.9° |
| C7 | C6 | H62 | H61 | 118.4° | 120.0° |
| C6 | C7 | C8 | H8 | 36.6° | 66.3° |
| C6 | C7 | O7 | HO7 | 63.2° | 65.0° |
| C28 | C12 | C13 | H12 | 119.1° | 120.0° |
| C28 | C12 | C13 | C14 | 118.3° | 127.3° |
| C28 | C12 | C11 | H11 | 50.7° | 175.0° |
| C28 | C12 | C13 | H1 | 61.7° | 52.7° |
| C12 | C28 | H282 | H281 | 120.0° | 120.1° |
| C12 | C28 | H282 | H283 | 120.0° | 119.9° |
| C12 | C28 | H281 | H283 | 120.0° | 120.0° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.9° | 3.1° |
| C12 | C13 | C14 | C29 | 179.9° | 177.0° |
| C13 | C12 | C11 | H11 | 67.0° | 54.9° |
| C13 | C12 | C28 | H282 | 58.9° | 64.4° |
| C13 | C12 | C28 | H281 | 179.0° | 175.5° |
| C13 | C12 | C28 | H283 | 61.0° | 55.5° |
| C6 | C5 | O5 | C4 | 124.1° | 120.0° |
| C6 | C5 | O5 | H5 | 116.6° | 120.1° |
| C6 | C5 | O5 | C1 | 157.9° | 173.2° |
| C6 | C5 | C4 | H5 | 116.5° | 120.1° |
| C6 | C5 | C4 | C26 | 61.1° | 62.1° |
| C6 | C5 | C4 | C3 | 177.4° | 177.9° |
| C6 | C5 | C4 | H4 | 59.7° | 58.0° |
| C5 | C6 | H62 | H61 | 118.3° | 119.9° |
| C5 | C6 | C7 | H7 | 59.3° | 55.0° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 179.8° | 175.3° |
| C24 | C23 | C22 | H22 | 0.2° | 4.7° |
| C23 | C24 | H242 | H241 | 180.0° | 180.0° |
| O5 | C5 | C4 | H5 | 119.9° | 119.9° |
| C5 | O5 | C1 | O1 | 163.4° | 129.2° |
| C5 | O5 | C1 | C2 | 16.4° | 50.7° |
| O5 | C5 | C4 | C26 | 175.2° | 177.9° |
| O5 | C5 | C4 | C3 | 53.8° | 58.0° |
| O5 | C5 | C4 | H4 | 63.9° | 62.0° |
| O5 | C5 | C6 | H62 | 166.0° | 54.8° |
| O5 | C5 | C6 | H61 | 75.1° | 174.7° |
| C1 | O5 | C5 | C4 | 33.9° | 53.2° |
| O5 | C1 | O1 | C2 | 179.8° | 179.9° |
| O5 | C1 | C2 | C3 | 20.0° | 49.3° |
| O5 | C1 | C2 | C25 | 100.3° | 70.4° |
| C1 | O5 | C5 | H5 | 85.4° | 66.7° |
| O5 | C1 | C2 | H2 | 140.8° | 169.1° |
| C5 | C4 | C3 | O3 | 62.5° | 59.9° |
| C5 | C4 | C26 | C3 | 120.4° | 119.9° |
| C5 | C4 | C26 | H4 | 120.8° | 120.1° |
| C5 | C4 | C3 | H4 | 117.7° | 120.0° |
| C5 | C4 | C3 | C2 | 59.5° | 60.0° |
| C4 | C5 | C6 | H62 | 67.7° | 65.0° |
| C4 | C5 | C6 | H61 | 51.2° | 55.0° |
| C5 | C4 | C3 | H3 | 179.3° | 179.8° |
| C5 | C4 | C26 | H262 | 180.0° | 59.8° |
| C5 | C4 | C26 | H261 | 60.0° | 60.0° |
| C5 | C4 | C26 | H263 | 60.0° | 179.9° |
| C13 | C14 | C15 | C29 | 178.9° | 179.9° |
| C13 | C14 | C15 | C16 | 132.8° | 95.1° |
| C14 | C13 | C12 | H12 | 0.8° | 7.3° |
| C13 | C14 | C29 | H293 | 180.0° | 90.0° |
| C13 | C14 | C29 | H291 | 60.0° | 30.1° |
| C13 | C14 | C29 | H292 | 60.0° | 150.0° |
| C13 | C14 | C15 | H152 | 106.1° | 144.8° |
| C13 | C14 | C15 | H151 | 11.8° | 24.8° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 6.2° |
| C23 | C22 | C21 | H21 | 179.7° | 173.8° |
| C22 | C23 | C24 | H242 | 180.0° | 0.0° |
| C22 | C23 | C24 | H241 | 0.0° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C32 | 111.2° | 113.9° |
| C22 | C21 | C20 | C19 | 127.8° | 126.1° |
| C22 | C21 | C20 | H20 | 7.1° | 6.0° |
| C21 | C22 | C23 | H23 | 0.2° | 4.7° |
| O1 | C1 | C2 | C3 | 159.8° | 130.6° |
| O1 | C1 | C2 | C25 | 79.9° | 109.7° |
| O1 | C1 | C2 | H2 | 39.0° | 10.8° |
| C1 | C2 | C3 | O3 | 79.0° | 67.3° |
| C1 | C2 | C3 | C4 | 42.9° | 52.6° |
| C1 | C2 | C3 | C25 | 121.0° | 119.7° |
| C1 | C2 | C3 | H2 | 121.0° | 119.7° |
| C1 | C2 | C25 | H2 | 119.0° | 120.5° |
| C1 | C2 | C3 | H3 | 162.7° | 172.4° |
| C1 | C2 | C25 | H252 | 180.0° | 59.0° |
| C1 | C2 | C25 | H251 | 60.0° | 61.1° |
| C1 | C2 | C25 | H253 | 60.0° | 178.9° |
| O3 | C3 | C4 | C26 | 61.0° | 60.0° |
| O3 | C3 | C4 | C2 | 122.0° | 119.9° |
| O3 | C3 | C4 | H3 | 118.2° | 120.2° |
| O3 | C3 | C2 | H3 | 118.3° | 120.3° |
| O3 | C3 | C2 | C25 | 160.0° | 173.1° |
| O3 | C3 | C4 | H4 | 179.8° | 179.9° |
| O3 | C3 | C2 | H2 | 42.0° | 52.5° |
| C21 | C20 | C32 | C19 | 121.8° | 120.0° |
| C21 | C20 | C32 | H20 | 118.4° | 120.0° |
| C21 | C20 | C19 | H20 | 120.8° | 120.0° |
| C21 | C20 | C19 | O19 | 63.2° | 60.1° |
| C21 | C20 | C19 | C18 | 57.1° | 180.0° |
| C21 | C20 | C19 | H19 | 178.4° | 60.0° |
| C21 | C20 | C32 | H333 | 180.0° | 60.0° |
| C21 | C20 | C32 | H322 | 60.0° | 180.0° |
| C21 | C20 | C32 | H321 | 60.0° | 60.1° |
| C20 | C21 | C22 | H22 | 179.7° | 173.7° |
| C14 | C15 | C16 | H152 | 121.1° | 120.1° |
| C14 | C15 | C16 | H151 | 121.0° | 119.9° |
| C14 | C15 | C16 | C17 | 172.2° | 174.9° |
| C14 | C15 | C16 | C30 | 66.5° | 65.0° |
| C15 | C14 | C13 | H1 | 179.1° | 177.0° |
| C15 | C14 | C29 | H293 | 1.0° | 89.9° |
| C15 | C14 | C29 | H291 | 121.0° | 150.0° |
| C15 | C14 | C29 | H292 | 119.0° | 30.0° |
| C14 | C15 | H152 | H151 | 116.7° | 120.0° |
| C14 | C15 | C16 | H16 | 52.2° | 55.0° |
| C29 | C14 | C15 | C16 | 48.3° | 84.9° |
| C29 | C14 | C13 | H1 | 0.1° | 3.0° |
| C14 | C29 | H293 | H291 | 120.0° | 120.0° |
| C14 | C29 | H293 | H292 | 120.0° | 120.0° |
| C14 | C29 | H291 | H292 | 120.0° | 120.0° |
| C29 | C14 | C15 | H152 | 72.8° | 35.2° |
| C29 | C14 | C15 | H151 | 169.3° | 155.2° |
| C26 | C4 | C3 | H4 | 118.9° | 120.0° |
| C26 | C4 | C3 | C2 | 177.1° | 179.9° |
| C26 | C4 | C5 | H5 | 55.3° | 58.0° |
| C26 | C4 | C3 | H3 | 57.3° | 60.2° |
| C4 | C26 | H262 | H261 | 120.0° | 120.0° |
| C4 | C26 | H262 | H263 | 120.0° | 120.0° |
| C4 | C26 | H261 | H263 | 120.0° | 120.1° |
| C4 | C3 | C2 | H3 | 119.8° | 119.8° |
| C4 | C3 | C2 | C25 | 78.2° | 67.0° |
| C3 | C4 | C5 | H5 | 66.1° | 62.0° |
| C3 | C4 | C26 | H262 | 59.6° | 60.0° |
| C3 | C4 | C26 | H261 | 60.4° | 179.9° |
| C3 | C4 | C26 | H263 | 179.6° | 60.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 163.8° | 172.4° |
| C15 | C16 | C17 | C30 | 121.0° | 120.1° |
| C15 | C16 | C17 | H16 | 120.2° | 119.9° |
| C15 | C16 | C30 | H16 | 118.7° | 120.0° |
| C15 | C16 | C17 | C18 | 68.6° | 179.0° |
| C15 | C16 | C17 | O17 | 166.6° | 61.0° |
| C16 | C15 | H152 | H151 | 116.8° | 119.9° |
| C15 | C16 | C30 | H302 | 180.0° | 55.3° |
| C15 | C16 | C30 | H303 | 60.0° | 64.7° |
| C15 | C16 | C30 | H301 | 60.0° | 175.3° |
| C15 | C16 | C17 | H17 | 49.4° | 59.0° |
| C3 | C2 | C25 | H2 | 117.9° | 120.6° |
| C2 | C3 | C4 | H4 | 58.2° | 60.0° |
| C2 | C3 | O3 | HO3 | 55.0° | 60.5° |
| C3 | C2 | C25 | H252 | 57.0° | 59.9° |
| C3 | C2 | C25 | H251 | 63.1° | 180.0° |
| C3 | C2 | C25 | H253 | 177.0° | 60.0° |
| C25 | C2 | C3 | H3 | 41.6° | 52.8° |
| C2 | C25 | H252 | H251 | 120.0° | 120.1° |
| C2 | C25 | H252 | H253 | 120.0° | 119.9° |
| C2 | C25 | H251 | H253 | 120.0° | 120.0° |
| C32 | C20 | C19 | H20 | 119.9° | 120.0° |
| C32 | C20 | C19 | O19 | 56.1° | 180.0° |
| C32 | C20 | C19 | C18 | 176.4° | 60.0° |
| C32 | C20 | C19 | H19 | 62.2° | 59.9° |
| C20 | C32 | H333 | H322 | 120.0° | 120.0° |
| C20 | C32 | H333 | H321 | 120.0° | 120.0° |
| C20 | C32 | H322 | H321 | 120.0° | 120.0° |
| C32 | C20 | C21 | H21 | 68.8° | 66.1° |
| C20 | C19 | O19 | C18 | 124.0° | 120.0° |
| C20 | C19 | O19 | H19 | 117.4° | 120.0° |
| C20 | C19 | O19 | C33 | 116.9° | 139.2° |
| C20 | C19 | C18 | H19 | 121.5° | 120.0° |
| C20 | C19 | C18 | C17 | 49.6° | 174.7° |
| C20 | C19 | C18 | C31 | 175.3° | 65.3° |
| C20 | C19 | C18 | H18 | 69.0° | 54.6° |
| C19 | C20 | C32 | H333 | 58.2° | 179.9° |
| C19 | C20 | C32 | H322 | 61.8° | 60.0° |
| C19 | C20 | C32 | H321 | 178.2° | 59.9° |
| C19 | C20 | C21 | H21 | 52.2° | 53.9° |
| C19 | O19 | C33 | N33 | 178.2° | 177.7° |
| O19 | C19 | C18 | H19 | 119.6° | 120.1° |
| O19 | C19 | C18 | C17 | 168.6° | 65.3° |
| O19 | C19 | C18 | C31 | 65.7° | 54.6° |
| C19 | O19 | C33 | O33 | 2.0° | 2.3° |
| O19 | C19 | C18 | H18 | 49.9° | 174.6° |
| O19 | C19 | C20 | H20 | 175.9° | 60.0° |
| O19 | C33 | N33 | O33 | 179.9° | 180.0° |
| C33 | O19 | C19 | C18 | 119.1° | 100.8° |
| C33 | O19 | C19 | H19 | 0.5° | 19.2° |
| O19 | C33 | N33 | H332 | 179.8° | 0.0° |
| O19 | C33 | N33 | H331 | 0.1° | 180.0° |
| C33 | N33 | H332 | H331 | 180.0° | 180.0° |
| C17 | C16 | C30 | H16 | 118.6° | 120.0° |
| C16 | C17 | C18 | C19 | 161.9° | 65.4° |
| C16 | C17 | C18 | O17 | 124.5° | 119.9° |
| C16 | C17 | C18 | H17 | 118.0° | 120.1° |
| C16 | C17 | C18 | C31 | 73.8° | 174.6° |
| C16 | C17 | O17 | H17 | 116.4° | 120.0° |
| C17 | C16 | C15 | H152 | 51.1° | 54.9° |
| C17 | C16 | C15 | H151 | 66.8° | 65.1° |
| C17 | C16 | C30 | H302 | 57.3° | 64.8° |
| C17 | C16 | C30 | H303 | 62.7° | 175.2° |
| C17 | C16 | C30 | H301 | 177.3° | 55.2° |
| C16 | C17 | O17 | HO17 | 180.0° | 60.0° |
| C16 | C17 | C18 | H18 | 43.3° | 54.7° |
| C30 | C16 | C17 | C18 | 170.4° | 60.9° |
| C30 | C16 | C17 | O17 | 45.6° | 59.0° |
| C30 | C16 | C15 | H152 | 172.4° | 174.9° |
| C30 | C16 | C15 | H151 | 54.5° | 54.9° |
| C16 | C30 | H302 | H303 | 120.0° | 120.1° |
| C16 | C30 | H302 | H301 | 120.0° | 120.0° |
| C16 | C30 | H303 | H301 | 120.0° | 120.0° |
| C30 | C16 | C17 | H17 | 71.6° | 179.0° |
| C19 | C18 | C17 | C31 | 124.3° | 119.9° |
| C19 | C18 | C17 | H18 | 118.6° | 120.1° |
| C19 | C18 | C31 | H18 | 115.5° | 120.0° |
| C19 | C18 | C17 | O17 | 73.5° | 174.7° |
| C19 | C18 | C17 | H17 | 43.9° | 54.7° |
| C19 | C18 | C31 | H313 | 180.0° | 64.8° |
| C19 | C18 | C31 | H311 | 60.0° | 175.3° |
| C19 | C18 | C31 | H312 | 60.0° | 55.3° |
| C18 | C19 | C20 | H20 | 63.8° | 60.0° |
| C17 | C18 | C31 | H18 | 117.0° | 120.0° |
| C18 | C17 | O17 | H17 | 116.6° | 120.0° |
| C18 | C17 | C16 | H16 | 51.5° | 59.1° |
| C18 | C17 | O17 | HO17 | 53.0° | 59.9° |
| C17 | C18 | C31 | H313 | 52.5° | 55.2° |
| C17 | C18 | C31 | H311 | 172.5° | 64.8° |
| C17 | C18 | C31 | H312 | 67.5° | 175.3° |
| C17 | C18 | C19 | H19 | 71.9° | 54.7° |
| C31 | C18 | C17 | O17 | 50.7° | 54.7° |
| C31 | C18 | C17 | H17 | 168.2° | 65.3° |
| C18 | C31 | H313 | H311 | 120.0° | 119.9° |
| C18 | C31 | H313 | H312 | 120.0° | 120.1° |
| C18 | C31 | H311 | H312 | 120.0° | 120.0° |
| C31 | C18 | C19 | H19 | 53.8° | 174.7° |
| O33 | C33 | N33 | H332 | 0.0° | 180.0° |
| O33 | C33 | N33 | H331 | 180.0° | 0.0° |
| O17 | C17 | C16 | H16 | 73.2° | 179.0° |
| O17 | C17 | C18 | H18 | 167.9° | 65.2° |
| H4 | C4 | C5 | H5 | 176.2° | 178.0° |
| H4 | C4 | C3 | H3 | 61.6° | 59.8° |
| H4 | C4 | C26 | H262 | 59.2° | 179.9° |
| H4 | C4 | C26 | H261 | 179.2° | 60.0° |
| H4 | C4 | C26 | H263 | 60.8° | 60.0° |
| H5 | C5 | C6 | H62 | 48.7° | 174.9° |
| H5 | C5 | C6 | H61 | 167.6° | 65.1° |
| H62 | C6 | C7 | H7 | 179.9° | 65.0° |
| H61 | C6 | C7 | H7 | 61.2° | 175.0° |
| H11 | C11 | C10 | H10 | 59.2° | 179.9° |
| H11 | C11 | C12 | H12 | 170.7° | 65.0° |
| H11 | C11 | O11 | HO11 | 64.2° | 180.0° |
| H7 | C7 | C8 | H8 | 156.7° | 173.7° |
| H7 | C7 | O7 | HO7 | 57.2° | 175.0° |
| H8 | C8 | C9 | H9 | 0.6° | 7.6° |
| H9 | C9 | C10 | H10 | 161.9° | 172.6° |
| H10 | C10 | C27 | H272 | 61.1° | 180.0° |
| H10 | C10 | C27 | H273 | 178.9° | 59.9° |
| H10 | C10 | C27 | H271 | 58.9° | 60.0° |
| H12 | C12 | C13 | H1 | 179.2° | 172.8° |
| H12 | C12 | C28 | H282 | 60.2° | 55.6° |
| H12 | C12 | C28 | H281 | 59.8° | 64.4° |
| H12 | C12 | C28 | H283 | 179.8° | 175.6° |
| H3 | C3 | O3 | HO3 | 62.5° | 59.8° |
| H3 | C3 | C2 | H2 | 76.4° | 67.8° |
| H262 | C26 | H261 | H263 | 120.0° | 120.0° |
| H2 | C2 | C25 | H252 | 61.0° | 179.5° |
| H2 | C2 | C25 | H251 | 179.0° | 59.4° |
| H2 | C2 | C25 | H253 | 59.1° | 60.6° |
| H252 | C25 | H251 | H253 | 120.0° | 120.0° |
| H272 | C27 | H273 | H271 | 120.0° | 119.9° |
| H282 | C28 | H281 | H283 | 120.0° | 120.0° |
| H293 | C29 | H291 | H292 | 120.0° | 120.0° |
| H152 | C15 | C16 | H16 | 68.9° | 65.1° |
| H151 | C15 | C16 | H16 | 173.2° | 174.9° |
| H16 | C16 | C30 | H302 | 61.4° | 175.3° |
| H16 | C16 | C30 | H303 | 178.6° | 55.2° |
| H16 | C16 | C30 | H301 | 58.7° | 64.7° |
| H16 | C16 | C17 | H17 | 169.6° | 61.0° |
| H302 | C30 | H303 | H301 | 120.0° | 119.9° |
| H17 | C17 | O17 | HO17 | 63.6° | 180.0° |
| H17 | C17 | C18 | H18 | 74.7° | 174.8° |
| H18 | C18 | C31 | H313 | 64.5° | 175.3° |
| H18 | C18 | C31 | H311 | 55.5° | 55.3° |
| H18 | C18 | C31 | H312 | 175.5° | 64.7° |
| H18 | C18 | C19 | H19 | 169.5° | 65.4° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 57.6° | 179.9° |
| H20 | C20 | C32 | H333 | 61.6° | 60.0° |
| H20 | C20 | C32 | H322 | 178.4° | 60.0° |
| H20 | C20 | C32 | H321 | 58.4° | 180.0° |
| H20 | C20 | C21 | H21 | 172.9° | 173.9° |
| H333 | C32 | H322 | H321 | 120.0° | 120.0° |
| H21 | C21 | C22 | H22 | 0.3° | 6.2° |
| H22 | C22 | C23 | H23 | 179.8° | 175.3° |
| H23 | C23 | C24 | H242 | 0.1° | NaN° |
| H23 | C23 | C24 | H241 | 180.0° | 0.0° |
