Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13A | sing | 1.09Å | 1.11Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | N4 | sing | 1.35Å | 1.32Å | |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | doub | 1.42Å | 1.41Å | Aromatic |
| C11 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.39Å | 1.36Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| C20 | C23 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | N26 | sing | 1.35Å | 1.31Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| N26 | C27 | sing | 1.47Å | 1.42Å | |
| N26 | HNQ | sing | 0.97Å | 1.02Å | |
| C27 | C32 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.11Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C31 | C29 | sing | 1.53Å | 1.51Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | O34 | sing | 1.43Å | 1.41Å | |
| C32 | H32 | sing | 1.09Å | 1.11Å | |
| C33 | C35 | sing | 1.51Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C35 | O36 | doub | 1.21Å | 1.23Å | |
| C35 | N37 | sing | 1.35Å | 1.33Å | |
| N4 | C5 | sing | 1.47Å | 1.45Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C17 | sing | 1.51Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| C17 | N19 | sing | 1.35Å | 1.31Å | |
| N19 | HNJ | sing | 0.97Å | 1.02Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| O34 | HOY | sing | 0.97Å | 0.95Å | |
| N37 | C38 | sing | 1.47Å | 1.43Å | |
| N37 | HN3 | sing | 0.97Å | 1.02Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | C41 | sing | 1.51Å | 1.52Å | |
| C38 | H38 | sing | 1.09Å | 1.11Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.12Å | |
| C41 | O42 | doub | 1.21Å | 1.23Å | |
| C41 | N43 | sing | 1.35Å | 1.34Å | |
| N43 | C44 | sing | 1.46Å | 1.46Å | |
| N43 | HN' | sing | 0.97Å | 1.02Å | |
| C44 | C45 | sing | 1.53Å | 1.56Å | |
| C44 | C56 | sing | 1.51Å | 1.53Å | |
| C44 | H44 | sing | 1.09Å | 1.12Å | |
| C45 | C46 | sing | 1.51Å | 1.54Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.11Å | |
| C46 | C47 | doub | 1.36Å | 1.39Å | Aromatic |
| C46 | C50 | sing | 1.40Å | 1.41Å | Aromatic |
| C47 | C48 | sing | 1.39Å | 1.41Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | C49 | doub | 1.36Å | 1.39Å | Aromatic |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C51 | sing | 1.40Å | 1.41Å | Aromatic |
| C49 | H49 | sing | 1.08Å | 1.10Å | |
| C50 | C51 | doub | 1.42Å | 1.44Å | Aromatic |
| C50 | C52 | sing | 1.41Å | 1.41Å | Aromatic |
| C51 | C53 | sing | 1.41Å | 1.39Å | Aromatic |
| C52 | C54 | doub | 1.36Å | 1.38Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | C55 | doub | 1.36Å | 1.39Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C54 | C55 | sing | 1.39Å | 1.38Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.10Å | |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | O57 | doub | 1.21Å | 1.24Å | |
| C56 | N58 | sing | 1.35Å | 1.31Å | |
| N58 | HN1 | sing | 0.97Å | 1.02Å | |
| N58 | HN2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 124.9° | 109.5° |
| C2 | C1 | H12 | 106.7° | 109.5° |
| C2 | C1 | H13A | 106.7° | 109.5° |
| C1 | C2 | O3 | 125.0° | 120.0° |
| C1 | C2 | N4 | 115.6° | 120.0° |
| H11 | C1 | H12 | 106.8° | 109.5° |
| H11 | C1 | H13A | 106.7° | 109.5° |
| H12 | C1 | H13A | 102.9° | 109.5° |
| O3 | C2 | N4 | 119.4° | 120.0° |
| C2 | N4 | C5 | 125.3° | 120.0° |
| C2 | N4 | HN4 | 112.2° | 120.0° |
| C8 | C7 | C11 | 118.6° | 119.6° |
| C8 | C7 | C6 | 123.7° | 120.1° |
| C7 | C8 | C9 | 121.6° | 121.0° |
| C7 | C8 | H8 | 118.9° | 119.5° |
| C11 | C7 | C6 | 117.8° | 120.2° |
| C7 | C11 | C12 | 120.8° | 119.3° |
| C7 | C11 | C13 | 119.4° | 121.3° |
| C7 | C6 | C5 | 114.4° | 109.5° |
| C7 | C6 | H61 | 110.4° | 109.5° |
| C7 | C6 | H62 | 110.4° | 109.4° |
| C9 | C8 | H8 | 119.6° | 119.5° |
| C8 | C9 | C10 | 120.3° | 121.0° |
| C8 | C9 | H9 | 119.9° | 119.5° |
| C10 | C9 | H9 | 119.8° | 119.5° |
| C9 | C10 | C12 | 119.5° | 119.6° |
| C9 | C10 | H10 | 119.8° | 120.2° |
| C12 | C10 | H10 | 120.7° | 120.2° |
| C10 | C12 | C11 | 119.3° | 119.4° |
| C10 | C12 | C14 | 121.2° | 121.3° |
| C12 | C11 | C13 | 119.6° | 119.4° |
| C11 | C12 | C14 | 119.5° | 119.3° |
| C11 | C13 | C15 | 120.0° | 119.7° |
| C11 | C13 | H13 | 120.9° | 120.2° |
| C12 | C14 | C16 | 118.3° | 119.6° |
| C12 | C14 | H14 | 121.6° | 120.2° |
| C15 | C13 | H13 | 119.1° | 120.1° |
| C13 | C15 | C16 | 119.4° | 120.9° |
| C13 | C15 | H15 | 120.6° | 119.5° |
| C16 | C14 | H14 | 120.2° | 120.2° |
| C14 | C16 | C15 | 123.1° | 121.0° |
| C14 | C16 | H16 | 118.9° | 119.5° |
| C16 | C15 | H15 | 120.1° | 119.5° |
| C15 | C16 | H16 | 118.0° | 119.5° |
| C21 | C20 | N19 | 105.7° | 109.4° |
| C21 | C20 | C23 | 113.8° | 109.5° |
| C21 | C20 | H20 | 110.4° | 109.5° |
| C20 | C21 | N26 | 112.2° | 120.0° |
| C20 | C21 | O22 | 121.8° | 120.0° |
| N19 | C20 | C23 | 113.0° | 109.5° |
| N19 | C20 | H20 | 111.3° | 109.5° |
| C20 | N19 | C17 | 119.1° | 120.0° |
| C20 | N19 | HNJ | 125.3° | 120.1° |
| C23 | C20 | H20 | 102.8° | 109.5° |
| C20 | C23 | C24 | 105.7° | 109.5° |
| C20 | C23 | C25 | 112.6° | 109.5° |
| C20 | C23 | H23 | 108.7° | 109.5° |
| N26 | C21 | O22 | 125.9° | 120.0° |
| C21 | N26 | C27 | 127.4° | 120.1° |
| C21 | N26 | HNQ | 111.6° | 120.0° |
| C23 | C24 | H241 | 105.7° | 109.5° |
| C23 | C24 | H242 | 113.6° | 109.4° |
| C23 | C24 | H243 | 113.6° | 109.5° |
| C24 | C23 | C25 | 105.3° | 109.5° |
| C24 | C23 | H23 | 115.6° | 109.5° |
| H241 | C24 | H242 | 113.6° | 109.4° |
| H241 | C24 | H243 | 113.7° | 109.5° |
| H242 | C24 | H243 | 96.9° | 109.5° |
| C27 | N26 | HNQ | 121.0° | 120.0° |
| N26 | C27 | C32 | 117.4° | 109.5° |
| N26 | C27 | C28 | 104.0° | 109.5° |
| N26 | C27 | H27 | 115.6° | 109.4° |
| C32 | C27 | C28 | 124.1° | 109.5° |
| C32 | C27 | H27 | 88.2° | 109.5° |
| C27 | C32 | C33 | 112.9° | 109.5° |
| C27 | C32 | O34 | 121.0° | 109.5° |
| C27 | C32 | H32 | 96.2° | 109.5° |
| C28 | C27 | H27 | 106.7° | 109.5° |
| C27 | C28 | C29 | 120.4° | 109.5° |
| C27 | C28 | H281 | 108.3° | 109.5° |
| C27 | C28 | H282 | 108.2° | 109.5° |
| C29 | C30 | H301 | 103.8° | 109.5° |
| C29 | C30 | H302 | 114.3° | 109.4° |
| C29 | C30 | H303 | 114.4° | 109.5° |
| C30 | C29 | C31 | 103.8° | 109.5° |
| C30 | C29 | C28 | 115.3° | 109.5° |
| C30 | C29 | H29 | 109.9° | 109.5° |
| H301 | C30 | H302 | 114.3° | 109.4° |
| H301 | C30 | H303 | 114.3° | 109.5° |
| H302 | C30 | H303 | 96.2° | 109.5° |
| C29 | C31 | H311 | 103.8° | 109.5° |
| C29 | C31 | H312 | 114.3° | 109.5° |
| C29 | C31 | H313 | 114.3° | 109.5° |
| C31 | C29 | C28 | 110.6° | 109.4° |
| C31 | C29 | H29 | 114.7° | 109.4° |
| H311 | C31 | H312 | 114.4° | 109.5° |
| H311 | C31 | H313 | 114.3° | 109.4° |
| H312 | C31 | H313 | 96.2° | 109.5° |
| C33 | C32 | O34 | 101.6° | 109.5° |
| C33 | C32 | H32 | 117.4° | 109.4° |
| C32 | C33 | C35 | 115.7° | 109.4° |
| C32 | C33 | H331 | 109.9° | 109.5° |
| C32 | C33 | H332 | 109.9° | 109.5° |
| O34 | C32 | H32 | 108.6° | 109.5° |
| C32 | O34 | HOY | 121.0° | 106.8° |
| C35 | C33 | H331 | 109.9° | 109.5° |
| C35 | C33 | H332 | 109.9° | 109.5° |
| C33 | C35 | O36 | 121.0° | 120.1° |
| C33 | C35 | N37 | 117.1° | 120.0° |
| H331 | C33 | H332 | 100.3° | 109.5° |
| O36 | C35 | N37 | 121.9° | 120.0° |
| C35 | N37 | C38 | 121.6° | 120.0° |
| C35 | N37 | HN3 | 115.4° | 120.0° |
| C5 | N4 | HN4 | 122.5° | 120.0° |
| N4 | C5 | C6 | 109.3° | 109.4° |
| N4 | C5 | C17 | 105.6° | 109.4° |
| N4 | C5 | H5 | 112.5° | 109.4° |
| C6 | C5 | C17 | 110.7° | 109.5° |
| C6 | C5 | H5 | 107.6° | 109.6° |
| C5 | C6 | H61 | 110.4° | 109.6° |
| C5 | C6 | H62 | 110.4° | 109.4° |
| C17 | C5 | H5 | 111.2° | 109.5° |
| C5 | C17 | O18 | 117.8° | 120.0° |
| C5 | C17 | N19 | 118.2° | 120.0° |
| H61 | C6 | H62 | 99.8° | 109.5° |
| O18 | C17 | N19 | 124.0° | 120.0° |
| C17 | N19 | HNJ | 115.6° | 120.0° |
| C25 | C23 | H23 | 109.1° | 109.5° |
| C23 | C25 | H251 | 112.6° | 109.5° |
| C23 | C25 | H252 | 111.0° | 109.5° |
| C23 | C25 | H253 | 111.1° | 109.5° |
| H251 | C25 | H252 | 111.1° | 109.4° |
| H251 | C25 | H253 | 111.1° | 109.5° |
| H252 | C25 | H253 | 99.3° | 109.5° |
| C29 | C28 | H281 | 108.3° | 109.4° |
| C29 | C28 | H282 | 108.3° | 109.5° |
| C28 | C29 | H29 | 103.0° | 109.5° |
| H281 | C28 | H282 | 101.7° | 109.4° |
| C38 | N37 | HN3 | 123.0° | 120.0° |
| N37 | C38 | C39 | 114.8° | 109.5° |
| N37 | C38 | C41 | 115.8° | 109.5° |
| N37 | C38 | H38 | 101.4° | 109.5° |
| C39 | C38 | C41 | 112.1° | 109.5° |
| C39 | C38 | H38 | 106.2° | 109.4° |
| C38 | C39 | C40 | 112.8° | 109.5° |
| C38 | C39 | H391 | 111.0° | 109.4° |
| C38 | C39 | H392 | 110.9° | 109.4° |
| C41 | C38 | H38 | 104.9° | 109.4° |
| C38 | C41 | O42 | 120.1° | 120.0° |
| C38 | C41 | N43 | 115.3° | 120.1° |
| C40 | C39 | H391 | 111.0° | 109.5° |
| C40 | C39 | H392 | 111.0° | 109.5° |
| C39 | C40 | H401 | 112.8° | 109.5° |
| C39 | C40 | H402 | 110.9° | 109.5° |
| C39 | C40 | H403 | 111.0° | 109.4° |
| H391 | C39 | H392 | 99.3° | 109.5° |
| H401 | C40 | H402 | 111.0° | 109.4° |
| H401 | C40 | H403 | 111.0° | 109.5° |
| H402 | C40 | H403 | 99.3° | 109.5° |
| O42 | C41 | N43 | 124.7° | 120.0° |
| C41 | N43 | C44 | 121.3° | 120.0° |
| C41 | N43 | HN' | 114.9° | 120.0° |
| C44 | N43 | HN' | 123.8° | 120.0° |
| N43 | C44 | C45 | 112.3° | 109.5° |
| N43 | C44 | C56 | 105.8° | 109.5° |
| N43 | C44 | H44 | 112.1° | 109.4° |
| C45 | C44 | C56 | 114.9° | 109.5° |
| C45 | C44 | H44 | 102.4° | 109.5° |
| C44 | C45 | C46 | 112.7° | 109.5° |
| C44 | C45 | H451 | 111.0° | 109.4° |
| C44 | C45 | H452 | 111.0° | 109.5° |
| C56 | C44 | H44 | 109.4° | 109.5° |
| C44 | C56 | O57 | 116.5° | 120.0° |
| C44 | C56 | N58 | 125.1° | 120.0° |
| C46 | C45 | H451 | 111.0° | 109.5° |
| C46 | C45 | H452 | 111.0° | 109.5° |
| C45 | C46 | C47 | 120.7° | 120.2° |
| C45 | C46 | C50 | 120.8° | 120.2° |
| H451 | C45 | H452 | 99.4° | 109.4° |
| C47 | C46 | C50 | 118.4° | 119.7° |
| C46 | C47 | C48 | 121.7° | 121.0° |
| C46 | C47 | H47 | 118.5° | 119.5° |
| C46 | C50 | C51 | 120.3° | 119.4° |
| C46 | C50 | C52 | 120.6° | 121.3° |
| C48 | C47 | H47 | 119.7° | 119.5° |
| C47 | C48 | C49 | 120.4° | 121.0° |
| C47 | C48 | H48 | 120.3° | 119.6° |
| C49 | C48 | H48 | 119.2° | 119.4° |
| C48 | C49 | C51 | 119.7° | 119.6° |
| C48 | C49 | H49 | 119.5° | 120.2° |
| C51 | C49 | H49 | 120.8° | 120.2° |
| C49 | C51 | C50 | 119.3° | 119.4° |
| C49 | C51 | C53 | 121.5° | 121.3° |
| C51 | C50 | C52 | 119.1° | 119.3° |
| C50 | C51 | C53 | 119.1° | 119.4° |
| C50 | C52 | C54 | 119.7° | 119.6° |
| C50 | C52 | H52 | 121.0° | 120.2° |
| C51 | C53 | C55 | 120.4° | 119.6° |
| C51 | C53 | H53 | 119.8° | 120.2° |
| C54 | C52 | H52 | 119.3° | 120.2° |
| C52 | C54 | C55 | 121.1° | 121.0° |
| C52 | C54 | H54 | 119.5° | 119.5° |
| C55 | C53 | H53 | 119.7° | 120.2° |
| C53 | C55 | C54 | 120.5° | 121.0° |
| C53 | C55 | H55 | 120.1° | 119.5° |
| C55 | C54 | H54 | 119.3° | 119.5° |
| C54 | C55 | H55 | 119.4° | 119.5° |
| O57 | C56 | N58 | 118.4° | 120.0° |
| C56 | N58 | HN1 | 118.4° | 120.0° |
| C56 | N58 | HN2 | 125.1° | 120.0° |
| HN1 | N58 | HN2 | 116.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H13A | 125.2° | 120.0° |
| C2 | C1 | H12 | H13A | 112.2° | 120.0° |
| C1 | C2 | O3 | N4 | 178.9° | 179.9° |
| C1 | C2 | N4 | C5 | 179.7° | 180.0° |
| C1 | C2 | N4 | HN4 | 0.3° | 0.0° |
| H11 | C1 | H12 | H13A | 112.2° | 120.0° |
| H11 | C1 | C2 | O3 | 180.0° | 120.0° |
| H11 | C1 | C2 | N4 | 1.1° | 60.0° |
| H12 | C1 | C2 | O3 | 54.8° | 0.0° |
| H12 | C1 | C2 | N4 | 124.2° | 180.0° |
| H13A | C1 | C2 | O3 | 54.8° | 120.0° |
| H13A | C1 | C2 | N4 | 126.2° | 60.0° |
| O3 | C2 | N4 | C5 | 1.3° | 0.1° |
| O3 | C2 | N4 | HN4 | 178.7° | 180.0° |
| C2 | N4 | C5 | HN4 | 180.0° | 180.0° |
| C2 | N4 | C5 | C6 | 136.5° | 60.0° |
| C2 | N4 | C5 | C17 | 104.4° | 60.0° |
| C2 | N4 | C5 | H5 | 17.0° | 180.0° |
| C8 | C7 | C11 | C6 | 178.5° | 179.8° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.7° | 0.1° |
| C7 | C8 | C9 | H9 | 179.3° | 180.0° |
| C8 | C7 | C11 | C12 | 2.3° | 0.5° |
| C8 | C7 | C11 | C13 | 178.2° | 179.7° |
| C8 | C7 | C6 | C5 | 0.0° | 90.1° |
| C8 | C7 | C6 | H61 | 125.3° | 30.1° |
| C8 | C7 | C6 | H62 | 125.3° | 150.0° |
| C11 | C7 | C8 | C9 | 0.8° | 0.3° |
| C11 | C7 | C8 | H8 | 179.2° | 179.8° |
| C7 | C11 | C12 | C10 | 2.4° | 0.5° |
| C7 | C11 | C12 | C13 | 175.9° | 179.2° |
| C7 | C11 | C12 | C14 | 179.5° | 179.8° |
| C7 | C11 | C13 | C15 | 179.2° | 179.7° |
| C7 | C11 | C13 | H13 | 0.8° | 0.4° |
| C11 | C7 | C6 | C5 | 178.4° | 90.2° |
| C11 | C7 | C6 | H61 | 53.1° | 149.7° |
| C11 | C7 | C6 | H62 | 56.3° | 29.7° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C6 | C7 | C8 | H8 | 0.8° | 0.0° |
| C6 | C7 | C11 | C12 | 179.2° | 179.7° |
| C6 | C7 | C11 | C13 | 3.3° | 0.5° |
| C7 | C6 | C5 | N4 | 76.7° | 60.1° |
| C7 | C6 | C5 | H61 | 125.3° | 120.1° |
| C7 | C6 | C5 | H62 | 125.3° | 119.9° |
| C7 | C6 | C5 | C17 | 167.4° | NaN° |
| C7 | C6 | C5 | H5 | 45.7° | 59.9° |
| C7 | C6 | H61 | H62 | 116.2° | 119.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C12 | 0.6° | 0.1° |
| C8 | C9 | C10 | H10 | 179.4° | 180.0° |
| H8 | C8 | C9 | C10 | 179.3° | 180.0° |
| H8 | C8 | C9 | H9 | 0.7° | 0.0° |
| C9 | C10 | C12 | H10 | 180.0° | 179.9° |
| C9 | C10 | C12 | C11 | 0.9° | 0.3° |
| C9 | C10 | C12 | C14 | 179.0° | 180.0° |
| H9 | C9 | C10 | C12 | 179.3° | 179.9° |
| H9 | C9 | C10 | H10 | 0.7° | 0.0° |
| C10 | C12 | C11 | C14 | 178.1° | 179.7° |
| C10 | C12 | C11 | C13 | 178.3° | 179.8° |
| C10 | C12 | C14 | C16 | 179.0° | 180.0° |
| C10 | C12 | C14 | H14 | 1.0° | 0.1° |
| H10 | C10 | C12 | C11 | 179.1° | 179.8° |
| H10 | C10 | C12 | C14 | 1.0° | 0.1° |
| C12 | C11 | C13 | C15 | 4.8° | 0.5° |
| C12 | C11 | C13 | H13 | 175.2° | 179.6° |
| C11 | C12 | C14 | C16 | 0.9° | 0.3° |
| C11 | C12 | C14 | H14 | 179.1° | 179.8° |
| C13 | C11 | C12 | C14 | 3.6° | 0.5° |
| C11 | C13 | C15 | H13 | 180.0° | 179.9° |
| C11 | C13 | C15 | C16 | 3.3° | 0.2° |
| C11 | C13 | C15 | H15 | 176.7° | 179.8° |
| C12 | C14 | C16 | H14 | 180.0° | 180.0° |
| C12 | C14 | C16 | C15 | 0.7° | 0.0° |
| C12 | C14 | C16 | H16 | 179.3° | 180.0° |
| C13 | C15 | C16 | C14 | 0.6° | 0.1° |
| C13 | C15 | C16 | H15 | 180.0° | 180.0° |
| C13 | C15 | C16 | H16 | 179.4° | 180.0° |
| H13 | C13 | C15 | C16 | 176.7° | 179.9° |
| H13 | C13 | C15 | H15 | 3.3° | 0.1° |
| C14 | C16 | C15 | H16 | 180.0° | 179.9° |
| C14 | C16 | C15 | H15 | 179.5° | 180.0° |
| H14 | C14 | C16 | C15 | 179.3° | 179.9° |
| H14 | C14 | C16 | H16 | 0.7° | 0.0° |
| H15 | C15 | C16 | H16 | 0.6° | 0.1° |
| C21 | C20 | N19 | C23 | 125.1° | 120.0° |
| C21 | C20 | N19 | H20 | 119.9° | 119.9° |
| C21 | C20 | C23 | H20 | 119.4° | 120.0° |
| C20 | C21 | N26 | O22 | 175.9° | 180.0° |
| C21 | C20 | C23 | C24 | 168.3° | 54.1° |
| C20 | C21 | N26 | C27 | 171.8° | 174.1° |
| C20 | C21 | N26 | HNQ | 8.2° | 5.8° |
| C21 | C20 | N19 | C17 | 135.5° | 150.0° |
| C21 | C20 | N19 | HNJ | 44.5° | 30.1° |
| C21 | C20 | C23 | C25 | 77.3° | 65.9° |
| C21 | C20 | C23 | H23 | 43.6° | 174.1° |
| N19 | C20 | C23 | H20 | 120.1° | 120.0° |
| N19 | C20 | C21 | N26 | 109.9° | 164.6° |
| N19 | C20 | C21 | O22 | 66.2° | 15.4° |
| N19 | C20 | C23 | C24 | 71.2° | 65.9° |
| C20 | N19 | C17 | C5 | 179.5° | 180.0° |
| C20 | N19 | C17 | O18 | 2.5° | 0.1° |
| C20 | N19 | C17 | HNJ | 180.0° | 179.9° |
| N19 | C20 | C23 | C25 | 43.2° | 174.2° |
| N19 | C20 | C23 | H23 | 164.1° | 54.2° |
| C23 | C20 | C21 | N26 | 125.5° | 75.4° |
| C23 | C20 | C21 | O22 | 58.4° | 104.6° |
| C20 | C23 | C24 | C25 | 119.3° | 120.0° |
| C20 | C23 | C24 | H23 | 120.2° | 120.0° |
| C20 | C23 | C24 | H241 | 180.0° | 180.0° |
| C20 | C23 | C24 | H242 | 54.8° | 60.1° |
| C20 | C23 | C24 | H243 | 54.7° | 60.0° |
| C23 | C20 | N19 | C17 | 99.5° | 90.0° |
| C23 | C20 | N19 | HNJ | 80.5° | 90.0° |
| C20 | C23 | C25 | H23 | 120.7° | 120.0° |
| C20 | C23 | C25 | H251 | 180.0° | 63.0° |
| C20 | C23 | C25 | H252 | 54.7° | 57.0° |
| C20 | C23 | C25 | H253 | 54.7° | 177.0° |
| H20 | C20 | C21 | N26 | 10.6° | 44.6° |
| H20 | C20 | C21 | O22 | 173.3° | 135.4° |
| H20 | C20 | C23 | C24 | 48.9° | 174.1° |
| H20 | C20 | N19 | C17 | 15.6° | 30.1° |
| H20 | C20 | N19 | HNJ | 164.4° | 150.0° |
| H20 | C20 | C23 | C25 | 163.3° | 54.1° |
| H20 | C20 | C23 | H23 | 75.8° | 65.9° |
| C21 | N26 | C27 | HNQ | 180.0° | 179.9° |
| C21 | N26 | C27 | C32 | 116.6° | 139.5° |
| C21 | N26 | C27 | C28 | 102.1° | 100.5° |
| C21 | N26 | C27 | H27 | 14.5° | 19.5° |
| O22 | C21 | N26 | C27 | 4.1° | 5.9° |
| O22 | C21 | N26 | HNQ | 175.9° | 174.2° |
| C23 | C24 | H241 | H242 | 125.2° | 119.9° |
| C23 | C24 | H241 | H243 | 125.3° | 120.0° |
| C23 | C24 | H242 | H243 | 119.5° | 120.0° |
| C24 | C23 | C25 | H23 | 124.6° | 120.0° |
| C24 | C23 | C25 | H251 | 65.4° | 57.0° |
| C24 | C23 | C25 | H252 | 60.0° | 177.0° |
| C24 | C23 | C25 | H253 | 169.4° | 63.0° |
| H241 | C24 | H242 | H243 | 119.6° | 120.0° |
| H241 | C24 | C23 | C25 | 60.7° | 60.0° |
| H241 | C24 | C23 | H23 | 59.8° | 60.0° |
| H242 | C24 | C23 | C25 | 174.1° | 180.0° |
| H242 | C24 | C23 | H23 | 65.4° | 60.0° |
| H243 | C24 | C23 | C25 | 64.6° | 60.0° |
| H243 | C24 | C23 | H23 | 174.9° | 180.0° |
| N26 | C27 | C32 | C28 | 132.9° | 120.0° |
| N26 | C27 | C32 | H27 | 118.1° | 119.9° |
| N26 | C27 | C28 | H27 | 122.7° | 119.9° |
| N26 | C27 | C32 | C33 | 77.8° | 60.0° |
| N26 | C27 | C32 | O34 | 42.7° | 60.0° |
| N26 | C27 | C32 | H32 | 158.8° | 180.0° |
| N26 | C27 | C28 | C29 | 46.4° | 65.6° |
| N26 | C27 | C28 | H281 | 78.9° | 54.3° |
| N26 | C27 | C28 | H282 | 171.7° | 174.3° |
| HNQ | N26 | C27 | C32 | 63.4° | 40.6° |
| HNQ | N26 | C27 | C28 | 77.9° | 79.5° |
| HNQ | N26 | C27 | H27 | 165.5° | 160.6° |
| C32 | C27 | C28 | H27 | 99.4° | 120.1° |
| C27 | C32 | C33 | O34 | 131.1° | 120.0° |
| C27 | C32 | C33 | H32 | 110.6° | 120.0° |
| C27 | C32 | O34 | H32 | 109.6° | 120.0° |
| C27 | C32 | C33 | C35 | 87.8° | 180.0° |
| C27 | C32 | C33 | H331 | 147.0° | 60.0° |
| C27 | C32 | C33 | H332 | 37.5° | 60.0° |
| C32 | C27 | C28 | C29 | 175.7° | 174.4° |
| C32 | C27 | C28 | H281 | 59.1° | 65.7° |
| C32 | C27 | C28 | H282 | 50.4° | 54.3° |
| C27 | C32 | O34 | HOY | 180.0° | 60.0° |
| C27 | C28 | C29 | C30 | 166.9° | 173.2° |
| C27 | C28 | C29 | C31 | 75.8° | 66.9° |
| C28 | C27 | C32 | C33 | 149.3° | 180.0° |
| C28 | C27 | C32 | O34 | 90.2° | 60.0° |
| C28 | C27 | C32 | H32 | 25.9° | 60.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.1° |
| C27 | C28 | H281 | H282 | 113.9° | 120.1° |
| C27 | C28 | C29 | H29 | 47.2° | 53.0° |
| H27 | C27 | C32 | C33 | 40.3° | 59.9° |
| H27 | C27 | C32 | O34 | 160.8° | 180.0° |
| H27 | C27 | C32 | H32 | 83.1° | 60.0° |
| H27 | C27 | C28 | C29 | 76.3° | 54.3° |
| H27 | C27 | C28 | H281 | 158.5° | 174.2° |
| H27 | C27 | C28 | H282 | 49.0° | 65.8° |
| C29 | C30 | H301 | H302 | 125.2° | 119.9° |
| C29 | C30 | H301 | H303 | 125.2° | 120.1° |
| C29 | C30 | H302 | H303 | 120.3° | 120.0° |
| C30 | C29 | C31 | C28 | 124.2° | 120.0° |
| C30 | C29 | C31 | H29 | 119.9° | 120.0° |
| C30 | C29 | C31 | H311 | 180.0° | 54.5° |
| C30 | C29 | C31 | H312 | 54.7° | 174.5° |
| C30 | C29 | C31 | H313 | 54.8° | 65.4° |
| C30 | C29 | C28 | H29 | 119.7° | 120.1° |
| C30 | C29 | C28 | H281 | 41.6° | 53.2° |
| C30 | C29 | C28 | H282 | 67.8° | 66.8° |
| H301 | C30 | H302 | H303 | 120.2° | 120.0° |
| H301 | C30 | C29 | C31 | 180.0° | 60.1° |
| H301 | C30 | C29 | C28 | 58.9° | 180.0° |
| H301 | C30 | C29 | H29 | 56.9° | 59.9° |
| H302 | C30 | C29 | C31 | 54.8° | 180.0° |
| H302 | C30 | C29 | C28 | 66.3° | 60.1° |
| H302 | C30 | C29 | H29 | 177.9° | 60.0° |
| H303 | C30 | C29 | C31 | 54.8° | 60.0° |
| H303 | C30 | C29 | C28 | 175.8° | 59.9° |
| H303 | C30 | C29 | H29 | 68.3° | 180.0° |
| C29 | C31 | H311 | H312 | 125.2° | 120.0° |
| C29 | C31 | H311 | H313 | 125.2° | 120.0° |
| C29 | C31 | H312 | H313 | 120.2° | 120.0° |
| C31 | C29 | C28 | H29 | 123.0° | 119.9° |
| C31 | C29 | C28 | H281 | 159.0° | 173.1° |
| C31 | C29 | C28 | H282 | 49.5° | 53.2° |
| H311 | C31 | H312 | H313 | 120.3° | 119.9° |
| H311 | C31 | C29 | C28 | 55.8° | 65.5° |
| H311 | C31 | C29 | H29 | 60.1° | 174.5° |
| H312 | C31 | C29 | C28 | 178.9° | 54.6° |
| H312 | C31 | C29 | H29 | 65.2° | 65.4° |
| H313 | C31 | C29 | C28 | 69.4° | 174.6° |
| H313 | C31 | C29 | H29 | 174.7° | 54.6° |
| C33 | C32 | O34 | H32 | 124.5° | 120.0° |
| C32 | C33 | C35 | H331 | 125.3° | 120.0° |
| C32 | C33 | C35 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 115.8° | 120.0° |
| C32 | C33 | C35 | O36 | 88.6° | 0.0° |
| C32 | C33 | C35 | N37 | 91.2° | 180.0° |
| C33 | C32 | O34 | HOY | 54.1° | 60.0° |
| O34 | C32 | C33 | C35 | 141.1° | 60.0° |
| O34 | C32 | C33 | H331 | 15.9° | 180.0° |
| O34 | C32 | C33 | H332 | 93.6° | 60.0° |
| H32 | C32 | C33 | C35 | 22.8° | 60.0° |
| H32 | C32 | C33 | H331 | 102.4° | 60.0° |
| H32 | C32 | C33 | H332 | 148.1° | 180.0° |
| H32 | C32 | O34 | HOY | 70.4° | 180.0° |
| C35 | C33 | H331 | H332 | 115.7° | 120.0° |
| C33 | C35 | O36 | N37 | 179.7° | 180.0° |
| C33 | C35 | N37 | C38 | 178.4° | 180.0° |
| C33 | C35 | N37 | HN3 | 1.6° | 0.0° |
| H331 | C33 | C35 | O36 | 146.1° | 120.0° |
| H331 | C33 | C35 | N37 | 34.1° | 60.0° |
| H332 | C33 | C35 | O36 | 36.7° | 120.0° |
| H332 | C33 | C35 | N37 | 143.6° | 60.0° |
| O36 | C35 | N37 | C38 | 1.9° | 0.0° |
| O36 | C35 | N37 | HN3 | 178.1° | 180.0° |
| C35 | N37 | C38 | HN3 | 180.0° | 180.0° |
| C35 | N37 | C38 | C39 | 76.4° | 90.0° |
| C35 | N37 | C38 | C41 | 150.4° | 150.0° |
| C35 | N37 | C38 | H38 | 37.5° | 30.0° |
| N4 | C5 | C6 | C17 | 115.9° | 119.9° |
| N4 | C5 | C6 | H5 | 122.5° | 120.0° |
| N4 | C5 | C17 | H5 | 122.3° | 119.9° |
| N4 | C5 | C6 | H61 | 158.0° | 60.0° |
| N4 | C5 | C6 | H62 | 48.5° | 180.0° |
| N4 | C5 | C17 | O18 | 42.7° | 30.0° |
| N4 | C5 | C17 | N19 | 134.5° | 150.0° |
| HN4 | N4 | C5 | C6 | 43.5° | 120.0° |
| HN4 | N4 | C5 | C17 | 75.6° | 120.0° |
| HN4 | N4 | C5 | H5 | 163.0° | 0.0° |
| C6 | C5 | C17 | H5 | 119.5° | 120.1° |
| C5 | C6 | H61 | H62 | 116.2° | 120.0° |
| C6 | C5 | C17 | O18 | 75.5° | 89.9° |
| C6 | C5 | C17 | N19 | 107.3° | 90.0° |
| C17 | C5 | C6 | H61 | 42.1° | 59.9° |
| C17 | C5 | C6 | H62 | 67.3° | 60.1° |
| C5 | C17 | O18 | N19 | 177.0° | 179.9° |
| C5 | C17 | N19 | HNJ | 0.5° | 0.0° |
| H5 | C5 | C6 | H61 | 79.5° | NaN° |
| H5 | C5 | C6 | H62 | 171.0° | 60.0° |
| H5 | C5 | C17 | O18 | 165.0° | 150.0° |
| H5 | C5 | C17 | N19 | 12.2° | 30.1° |
| O18 | C17 | N19 | HNJ | 177.5° | 180.0° |
| C23 | C25 | H251 | H252 | 125.3° | 120.0° |
| C23 | C25 | H251 | H253 | 125.2° | 120.0° |
| C23 | C25 | H252 | H253 | 116.9° | 120.0° |
| H23 | C23 | C25 | H251 | 59.3° | 177.0° |
| H23 | C23 | C25 | H252 | 175.4° | 63.0° |
| H23 | C23 | C25 | H253 | 66.0° | 57.0° |
| H251 | C25 | H252 | H253 | 116.9° | 120.0° |
| C29 | C28 | H281 | H282 | 114.0° | 119.9° |
| H281 | C28 | C29 | H29 | 78.1° | 67.0° |
| H282 | C28 | C29 | H29 | 172.5° | 173.1° |
| N37 | C38 | C39 | C41 | 134.8° | 120.0° |
| N37 | C38 | C39 | H38 | 111.2° | 120.0° |
| N37 | C38 | C41 | H38 | 110.8° | 120.0° |
| N37 | C38 | C39 | C40 | 167.8° | 60.0° |
| N37 | C38 | C39 | H391 | 42.5° | 180.0° |
| N37 | C38 | C39 | H392 | 67.0° | 60.0° |
| N37 | C38 | C41 | O42 | 57.3° | 0.1° |
| N37 | C38 | C41 | N43 | 122.9° | 180.0° |
| HN3 | N37 | C38 | C39 | 103.6° | 90.0° |
| HN3 | N37 | C38 | C41 | 29.6° | 30.0° |
| HN3 | N37 | C38 | H38 | 142.4° | 150.0° |
| C39 | C38 | C41 | H38 | 114.8° | 120.0° |
| C38 | C39 | C40 | H391 | 125.3° | 120.0° |
| C38 | C39 | C40 | H392 | 125.2° | 120.0° |
| C38 | C39 | H391 | H392 | 116.8° | 119.9° |
| C38 | C39 | C40 | H401 | 180.0° | 180.0° |
| C38 | C39 | C40 | H402 | 54.7° | 60.0° |
| C38 | C39 | C40 | H403 | 54.7° | 60.0° |
| C39 | C38 | C41 | O42 | 77.1° | 119.9° |
| C39 | C38 | C41 | N43 | 102.8° | 60.0° |
| C41 | C38 | C39 | C40 | 57.4° | 180.0° |
| C41 | C38 | C39 | H391 | 177.3° | 60.0° |
| C41 | C38 | C39 | H392 | 67.9° | 60.0° |
| C38 | C41 | O42 | N43 | 179.8° | 179.9° |
| C38 | C41 | N43 | C44 | 179.5° | 180.0° |
| C38 | C41 | N43 | HN' | 0.6° | 0.0° |
| H38 | C38 | C39 | C40 | 56.6° | 60.0° |
| H38 | C38 | C39 | H391 | 68.7° | 60.0° |
| H38 | C38 | C39 | H392 | 178.1° | 180.0° |
| H38 | C38 | C41 | O42 | 168.2° | 120.1° |
| H38 | C38 | C41 | N43 | 12.0° | 60.0° |
| C40 | C39 | H391 | H392 | 116.9° | 120.0° |
| C39 | C40 | H401 | H402 | 125.2° | 120.0° |
| C39 | C40 | H401 | H403 | 125.3° | 120.0° |
| C39 | C40 | H402 | H403 | 116.8° | 120.0° |
| H391 | C39 | C40 | H401 | 54.7° | 60.0° |
| H391 | C39 | C40 | H402 | 180.0° | 59.9° |
| H391 | C39 | C40 | H403 | 70.6° | 179.9° |
| H392 | C39 | C40 | H401 | 54.8° | 60.0° |
| H392 | C39 | C40 | H402 | 70.5° | 180.0° |
| H392 | C39 | C40 | H403 | 179.9° | 60.0° |
| H401 | C40 | H402 | H403 | 116.9° | 120.0° |
| O42 | C41 | N43 | C44 | 0.4° | 0.1° |
| O42 | C41 | N43 | HN' | 179.6° | 179.9° |
| C41 | N43 | C44 | HN' | 180.0° | 180.0° |
| C41 | N43 | C44 | C45 | 131.8° | 150.0° |
| C41 | N43 | C44 | C56 | 102.0° | 90.0° |
| C41 | N43 | C44 | H44 | 17.2° | 30.0° |
| N43 | C44 | C45 | C56 | 121.1° | 120.0° |
| N43 | C44 | C45 | H44 | 120.5° | 120.0° |
| N43 | C44 | C56 | H44 | 121.0° | 119.9° |
| N43 | C44 | C45 | C46 | 73.5° | 60.0° |
| N43 | C44 | C45 | H451 | 51.8° | 60.0° |
| N43 | C44 | C45 | H452 | 161.3° | 179.9° |
| N43 | C44 | C56 | O57 | 44.2° | 150.0° |
| N43 | C44 | C56 | N58 | 135.5° | 30.0° |
| HN' | N43 | C44 | C45 | 48.1° | 30.1° |
| HN' | N43 | C44 | C56 | 78.0° | 90.0° |
| HN' | N43 | C44 | H44 | 162.8° | 150.0° |
| C45 | C44 | C56 | H44 | 114.5° | 120.0° |
| C44 | C45 | C46 | H451 | 125.3° | 120.0° |
| C44 | C45 | C46 | H452 | 125.2° | 120.1° |
| C44 | C45 | H451 | H452 | 116.9° | 120.0° |
| C44 | C45 | C46 | C47 | 84.1° | 90.0° |
| C44 | C45 | C46 | C50 | 93.6° | 90.3° |
| C45 | C44 | C56 | O57 | 80.3° | 90.0° |
| C45 | C44 | C56 | N58 | 99.9° | 90.0° |
| C56 | C44 | C45 | C46 | 165.4° | 180.0° |
| C56 | C44 | C45 | H451 | 69.3° | 60.0° |
| C56 | C44 | C45 | H452 | 40.2° | 59.9° |
| C44 | C56 | O57 | N58 | 179.7° | 180.0° |
| C44 | C56 | N58 | HN1 | 0.3° | 180.0° |
| C44 | C56 | N58 | HN2 | 180.0° | 0.0° |
| H44 | C44 | C45 | C46 | 47.0° | 60.0° |
| H44 | C44 | C45 | H451 | 172.2° | 180.0° |
| H44 | C44 | C45 | H452 | 78.2° | 60.1° |
| H44 | C44 | C56 | O57 | 165.2° | 30.0° |
| H44 | C44 | C56 | N58 | 14.5° | 150.0° |
| C46 | C45 | H451 | H452 | 116.8° | 120.0° |
| C45 | C46 | C47 | C50 | 177.8° | 179.7° |
| C45 | C46 | C47 | C48 | 179.3° | 180.0° |
| C45 | C46 | C47 | H47 | 0.8° | 0.1° |
| C45 | C46 | C50 | C51 | 177.7° | 179.8° |
| C45 | C46 | C50 | C52 | 2.6° | 0.6° |
| H451 | C45 | C46 | C47 | 150.6° | 30.0° |
| H451 | C45 | C46 | C50 | 31.6° | 149.7° |
| H452 | C45 | C46 | C47 | 41.1° | 149.9° |
| H452 | C45 | C46 | C50 | 141.1° | 29.8° |
| C46 | C47 | C48 | H47 | 180.0° | 179.9° |
| C46 | C47 | C48 | C49 | 0.7° | 0.1° |
| C46 | C47 | C48 | H48 | 179.3° | 180.0° |
| C47 | C46 | C50 | C51 | 0.1° | 0.5° |
| C47 | C46 | C50 | C52 | 179.6° | 179.8° |
| C50 | C46 | C47 | C48 | 1.5° | 0.3° |
| C50 | C46 | C47 | H47 | 178.6° | 179.8° |
| C46 | C50 | C51 | C49 | 2.4° | 0.4° |
| C46 | C50 | C51 | C52 | 179.7° | 179.3° |
| C46 | C50 | C51 | C53 | 180.0° | 179.7° |
| C46 | C50 | C52 | C54 | 178.9° | 179.7° |
| C46 | C50 | C52 | H52 | 1.1° | 0.5° |
| C47 | C48 | C49 | H48 | 180.0° | 180.0° |
| C47 | C48 | C49 | C51 | 1.7° | 0.0° |
| C47 | C48 | C49 | H49 | 178.3° | 180.0° |
| H47 | C47 | C48 | C49 | 179.4° | 180.0° |
| H47 | C47 | C48 | H48 | 0.7° | 0.0° |
| C48 | C49 | C51 | H49 | 179.9° | 180.0° |
| C48 | C49 | C51 | C50 | 3.2° | 0.2° |
| C48 | C49 | C51 | C53 | 179.3° | 180.0° |
| H48 | C48 | C49 | C51 | 178.3° | 180.0° |
| H48 | C48 | C49 | H49 | 1.6° | 0.0° |
| C49 | C51 | C50 | C53 | 177.6° | 179.8° |
| C49 | C51 | C50 | C52 | 177.2° | 179.7° |
| C49 | C51 | C53 | C55 | 177.3° | 179.9° |
| C49 | C51 | C53 | H53 | 2.7° | 0.0° |
| H49 | C49 | C51 | C50 | 176.8° | 179.8° |
| H49 | C49 | C51 | C53 | 0.6° | 0.0° |
| C51 | C50 | C52 | C54 | 1.5° | 0.4° |
| C51 | C50 | C52 | H52 | 178.5° | 179.8° |
| C50 | C51 | C53 | C55 | 0.2° | 0.2° |
| C50 | C51 | C53 | H53 | 179.8° | 179.8° |
| C52 | C50 | C51 | C53 | 0.3° | 0.4° |
| C50 | C52 | C54 | H52 | 180.0° | 179.8° |
| C50 | C52 | C54 | C55 | 2.5° | 0.2° |
| C50 | C52 | C54 | H54 | 177.4° | 179.7° |
| C51 | C53 | C55 | H53 | 180.0° | 180.0° |
| C51 | C53 | C55 | C54 | 1.2° | 0.0° |
| C51 | C53 | C55 | H55 | 178.8° | 180.0° |
| C52 | C54 | C55 | C53 | 2.4° | 0.0° |
| C52 | C54 | C55 | H54 | 180.0° | 180.0° |
| C52 | C54 | C55 | H55 | 177.6° | 180.0° |
| H52 | C52 | C54 | C55 | 177.5° | 180.0° |
| H52 | C52 | C54 | H54 | 2.6° | 0.1° |
| C53 | C55 | C54 | H55 | 180.0° | 180.0° |
| C53 | C55 | C54 | H54 | 177.6° | 180.0° |
| H53 | C53 | C55 | C54 | 178.8° | 179.9° |
| H53 | C53 | C55 | H55 | 1.2° | 0.1° |
| H54 | C54 | C55 | H55 | 2.4° | 0.0° |
| O57 | C56 | N58 | HN1 | 180.0° | 0.0° |
| O57 | C56 | N58 | HN2 | 0.3° | 180.0° |
| C56 | N58 | HN1 | HN2 | 179.8° | 180.0° |
