VOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C09 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.50Å | 1.53Å | |
| O16 | C14 | doub | 1.22Å | 1.26Å | |
| C14 | O15 | sing | 1.31Å | 1.25Å | |
| C22 | C19 | sing | 1.51Å | 1.52Å | |
| C11 | C08 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | doub | 1.36Å | 1.41Å | |
| C09 | C10 | sing | 1.38Å | 1.38Å | |
| C08 | C07 | sing | 1.38Å | 1.40Å | |
| C17 | C10 | doub | 1.40Å | 1.37Å | |
| C17 | C18 | sing | 1.40Å | 1.40Å | |
| C10 | N02 | sing | 1.36Å | 1.37Å | |
| C19 | C18 | sing | 1.37Å | 1.41Å | |
| C19 | C20 | doub | 1.36Å | 1.40Å | |
| C18 | N03 | doub | 1.36Å | 1.37Å | |
| C07 | N02 | sing | 1.36Å | 1.38Å | |
| C07 | C06 | doub | 1.40Å | 1.40Å | |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N02 | FE | sing | 2.07Å | 1.98Å | |
| O27 | C25 | doub | 1.22Å | 1.24Å | |
| N03 | C21 | sing | 1.36Å | 1.38Å | |
| N03 | FE | sing | 2.08Å | 2.01Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C06 | C43 | sing | 1.41Å | 1.39Å | |
| C25 | O26 | sing | 1.33Å | 1.27Å | |
| C21 | C28 | doub | 1.40Å | 1.39Å | |
| FE | N05 | sing | 2.08Å | 2.01Å | |
| FE | N04 | sing | 2.08Å | 2.00Å | |
| C43 | N05 | doub | 1.39Å | 1.38Å | |
| C43 | C42 | sing | 1.39Å | 1.40Å | |
| C46 | C45 | doub | 1.31Å | 1.35Å | |
| C28 | C29 | sing | 1.40Å | 1.41Å | |
| N05 | C40 | sing | 1.36Å | 1.38Å | |
| C45 | C42 | sing | 1.49Å | 1.53Å | |
| C42 | C41 | doub | 1.41Å | 1.42Å | |
| N04 | C29 | sing | 1.36Å | 1.38Å | Aromatic |
| N04 | C32 | sing | 1.36Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.41Å | |
| C40 | C39 | doub | 1.40Å | 1.41Å | |
| C41 | C44 | sing | 1.51Å | 1.53Å | |
| C32 | C39 | sing | 1.40Å | 1.40Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C34 | sing | 1.51Å | 1.54Å | |
| C30 | C31 | sing | 1.37Å | 1.41Å | Aromatic |
| O37 | C36 | doub | 1.22Å | 1.25Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| O38 | C36 | sing | 1.33Å | 1.24Å | |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| C31 | C33 | sing | 1.51Å | 1.54Å | |
| C06 | H061 | sing | 0.94Å | 1.08Å | |
| C11 | H112 | sing | 0.97Å | 1.10Å | |
| C11 | H111 | sing | 0.97Å | 1.10Å | |
| C11 | H113 | sing | 0.97Å | 1.10Å | |
| C12 | H122 | sing | 0.98Å | 1.10Å | |
| C12 | H121 | sing | 0.98Å | 1.10Å | |
| C13 | H132 | sing | 0.98Å | 1.10Å | |
| C13 | H131 | sing | 0.99Å | 1.10Å | |
| C17 | H171 | sing | 0.95Å | 1.08Å | |
| C22 | H222 | sing | 0.97Å | 1.10Å | |
| C22 | H223 | sing | 0.97Å | 1.10Å | |
| C22 | H221 | sing | 0.97Å | 1.10Å | |
| C23 | H232 | sing | 0.98Å | 1.10Å | |
| C23 | H231 | sing | 0.98Å | 1.10Å | |
| C24 | H242 | sing | 0.98Å | 1.10Å | |
| C24 | H241 | sing | 0.99Å | 1.10Å | |
| C28 | H281 | sing | 0.95Å | 1.08Å | |
| C33 | H331 | sing | 0.97Å | 1.10Å | |
| C33 | H332 | sing | 0.97Å | 1.10Å | |
| C33 | H333 | sing | 0.97Å | 1.10Å | |
| C34 | H341 | sing | 0.98Å | 1.10Å | |
| C34 | H342 | sing | 0.98Å | 1.10Å | |
| C35 | H352 | sing | 0.99Å | 1.10Å | |
| C35 | H351 | sing | 0.98Å | 1.10Å | |
| C39 | H391 | sing | 0.95Å | 1.08Å | |
| C44 | H441 | sing | 0.97Å | 1.10Å | |
| C44 | H442 | sing | 0.97Å | 1.10Å | |
| C44 | H443 | sing | 0.97Å | 1.10Å | |
| C45 | H451 | sing | 0.94Å | 1.08Å | |
| C46 | H462 | sing | 0.94Å | 1.08Å | |
| C46 | H461 | sing | 0.94Å | 1.08Å | |
| O15 | H1 | sing | 0.88Å | 0.95Å | |
| O26 | H2 | sing | 0.88Å | 0.95Å | |
| O38 | H3 | sing | 0.88Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C09 | 110.1° | 114.1° |
| C12 | C13 | C14 | 116.6° | 113.5° |
| C13 | C12 | H122 | 109.3° | 108.5° |
| C13 | C12 | H121 | 109.3° | 108.7° |
| C12 | C13 | H132 | 107.6° | 108.9° |
| C12 | C13 | H131 | 107.7° | 109.0° |
| C12 | C09 | C08 | 131.5° | 126.2° |
| C12 | C09 | C10 | 122.7° | 126.7° |
| C09 | C12 | H122 | 109.3° | 109.3° |
| C09 | C12 | H121 | 109.3° | 109.9° |
| C13 | C14 | O16 | 122.0° | 123.7° |
| C13 | C14 | O15 | 113.4° | 112.9° |
| C14 | C13 | H132 | 107.7° | 108.6° |
| C14 | C13 | H131 | 107.7° | 108.9° |
| O16 | C14 | O15 | 124.5° | 123.4° |
| C14 | O15 | H1 | 109.5° | 112.1° |
| C22 | C19 | C18 | 125.1° | 127.2° |
| C22 | C19 | C20 | 128.1° | 125.4° |
| C19 | C22 | H222 | 109.5° | 110.1° |
| C19 | C22 | H223 | 109.4° | 110.2° |
| C19 | C22 | H221 | 109.5° | 109.6° |
| C11 | C08 | C09 | 127.8° | 124.5° |
| C11 | C08 | C07 | 125.9° | 127.8° |
| C08 | C11 | H112 | 109.5° | 110.5° |
| C08 | C11 | H111 | 109.5° | 109.8° |
| C08 | C11 | H113 | 109.4° | 109.6° |
| C08 | C09 | C10 | 105.9° | 107.0° |
| C09 | C08 | C07 | 106.3° | 107.6° |
| C09 | C10 | C17 | 123.3° | 126.8° |
| C09 | C10 | N02 | 112.6° | 109.5° |
| C08 | C07 | N02 | 110.9° | 109.4° |
| C08 | C07 | C06 | 126.2° | 127.6° |
| C10 | C17 | C18 | 126.9° | 130.0° |
| C17 | C10 | N02 | 124.1° | 123.7° |
| C10 | C17 | H171 | 116.6° | 114.8° |
| C17 | C18 | C19 | 125.8° | 127.5° |
| C17 | C18 | N03 | 122.9° | 122.8° |
| C18 | C17 | H171 | 116.5° | 115.1° |
| C10 | N02 | C07 | 104.4° | 106.4° |
| C10 | N02 | FE | 125.1° | 126.5° |
| C18 | C19 | C20 | 106.8° | 107.3° |
| C19 | C18 | N03 | 111.2° | 109.7° |
| C19 | C20 | C23 | 128.7° | 126.5° |
| C19 | C20 | C21 | 105.0° | 107.1° |
| C18 | N03 | C21 | 104.4° | 106.4° |
| C18 | N03 | FE | 125.1° | 126.9° |
| N02 | C07 | C06 | 122.9° | 122.9° |
| C07 | N02 | FE | 130.5° | 127.0° |
| C07 | C06 | C43 | 125.2° | 131.1° |
| C07 | C06 | H061 | 117.4° | 115.2° |
| C23 | C20 | C21 | 126.3° | 126.4° |
| C20 | C23 | C24 | 107.2° | 114.1° |
| C20 | C23 | H232 | 110.0° | 109.8° |
| C20 | C23 | H231 | 110.0° | 109.4° |
| C20 | C21 | N03 | 112.6° | 109.5° |
| C20 | C21 | C28 | 124.3° | 127.0° |
| C23 | C24 | C25 | 120.9° | 113.7° |
| C24 | C23 | H232 | 110.1° | 108.7° |
| C24 | C23 | H231 | 110.1° | 108.6° |
| C23 | C24 | H242 | 106.5° | 108.8° |
| C23 | C24 | H241 | 106.5° | 109.1° |
| N02 | FE | N03 | 91.8° | 89.6° |
| N02 | FE | N05 | 88.4° | 89.7° |
| N02 | FE | N04 | 170.3° | 170.2° |
| O27 | C25 | C24 | 110.1° | 122.5° |
| O27 | C25 | O26 | 126.4° | 121.7° |
| C21 | N03 | FE | 130.5° | 126.5° |
| N03 | C21 | C28 | 123.1° | 123.5° |
| N03 | FE | N05 | 167.4° | 170.2° |
| N03 | FE | N04 | 87.6° | 89.5° |
| C24 | C25 | O26 | 123.5° | 115.7° |
| C25 | C24 | H242 | 106.6° | 108.3° |
| C25 | C24 | H241 | 106.5° | 109.2° |
| C06 | C43 | N05 | 124.3° | 121.2° |
| C06 | C43 | C42 | 123.3° | 127.9° |
| C43 | C06 | H061 | 117.4° | 113.5° |
| C25 | O26 | H2 | 109.5° | 117.1° |
| C21 | C28 | C29 | 125.3° | 129.8° |
| C21 | C28 | H281 | 117.4° | 115.0° |
| N05 | FE | N04 | 90.0° | 89.6° |
| FE | N05 | C43 | 128.6° | 127.1° |
| FE | N05 | C40 | 127.1° | 126.8° |
| FE | N04 | C29 | 129.8° | 126.5° |
| FE | N04 | C32 | 126.5° | 126.8° |
| N05 | C43 | C42 | 112.3° | 110.9° |
| C43 | N05 | C40 | 104.3° | 106.1° |
| C43 | C42 | C45 | 125.9° | 131.3° |
| C43 | C42 | C41 | 105.8° | 104.9° |
| C46 | C45 | C42 | 132.1° | 133.0° |
| C46 | C45 | H451 | 113.9° | 111.6° |
| C45 | C46 | H462 | 120.0° | 119.8° |
| C45 | C46 | H461 | 120.0° | 120.3° |
| C28 | C29 | N04 | 123.6° | 123.4° |
| C28 | C29 | C30 | 123.6° | 127.1° |
| C29 | C28 | H281 | 117.3° | 115.2° |
| N05 | C40 | C41 | 112.2° | 110.0° |
| N05 | C40 | C39 | 123.4° | 123.2° |
| C45 | C42 | C41 | 128.3° | 123.7° |
| C42 | C45 | H451 | 114.0° | 115.4° |
| C42 | C41 | C40 | 105.4° | 108.0° |
| C42 | C41 | C44 | 128.2° | 125.0° |
| C29 | N04 | C32 | 103.7° | 106.4° |
| N04 | C29 | C30 | 112.8° | 109.5° |
| N04 | C32 | C39 | 124.5° | 122.9° |
| N04 | C32 | C31 | 112.2° | 109.6° |
| C29 | C30 | C34 | 124.4° | 126.5° |
| C29 | C30 | C31 | 105.0° | 107.1° |
| C41 | C40 | C39 | 124.4° | 126.8° |
| C40 | C41 | C44 | 126.4° | 126.9° |
| C40 | C39 | C32 | 124.7° | 130.3° |
| C40 | C39 | H391 | 117.6° | 114.8° |
| C41 | C44 | H441 | 109.5° | 110.2° |
| C41 | C44 | H442 | 109.4° | 110.1° |
| C41 | C44 | H443 | 109.4° | 109.6° |
| C39 | C32 | C31 | 123.2° | 127.5° |
| C32 | C39 | H391 | 117.6° | 114.9° |
| C32 | C31 | C30 | 106.4° | 107.3° |
| C32 | C31 | C33 | 121.7° | 127.2° |
| C34 | C30 | C31 | 130.6° | 126.4° |
| C30 | C34 | C35 | 114.9° | 114.0° |
| C30 | C34 | H341 | 108.1° | 109.9° |
| C30 | C34 | H342 | 108.1° | 109.4° |
| C30 | C31 | C33 | 132.0° | 125.4° |
| O37 | C36 | O38 | 127.5° | 121.7° |
| O37 | C36 | C35 | 116.0° | 122.6° |
| C34 | C35 | C36 | 111.7° | 113.7° |
| C35 | C34 | H341 | 108.1° | 108.7° |
| C35 | C34 | H342 | 108.1° | 108.6° |
| C34 | C35 | H352 | 108.9° | 108.9° |
| C34 | C35 | H351 | 108.9° | 109.1° |
| O38 | C36 | C35 | 116.4° | 115.7° |
| C36 | O38 | H3 | 109.5° | 117.1° |
| C36 | C35 | H352 | 108.9° | 108.3° |
| C36 | C35 | H351 | 108.9° | 109.2° |
| C31 | C33 | H331 | 109.5° | 110.1° |
| C31 | C33 | H332 | 109.5° | 110.2° |
| C31 | C33 | H333 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 108.5° |
| H112 | C11 | H113 | 109.5° | 109.2° |
| H111 | C11 | H113 | 109.5° | 109.2° |
| H122 | C12 | H121 | 109.4° | 105.9° |
| H132 | C13 | H131 | 109.5° | 107.7° |
| H222 | C22 | H223 | 109.5° | 108.4° |
| H222 | C22 | H221 | 109.5° | 109.3° |
| H223 | C22 | H221 | 109.4° | 109.3° |
| H232 | C23 | H231 | 109.4° | 106.0° |
| H242 | C24 | H241 | 109.5° | 107.6° |
| H331 | C33 | H332 | 109.5° | 108.5° |
| H331 | C33 | H333 | 109.5° | 109.3° |
| H332 | C33 | H333 | 109.4° | 109.3° |
| H341 | C34 | H342 | 109.5° | 106.0° |
| H352 | C35 | H351 | 109.5° | 107.6° |
| H441 | C44 | H442 | 109.5° | 108.4° |
| H441 | C44 | H443 | 109.5° | 109.3° |
| H442 | C44 | H443 | 109.5° | 109.3° |
| H462 | C46 | H461 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C09 | H122 | 120.1° | 121.7° |
| C13 | C12 | C09 | H121 | 120.1° | 122.4° |
| C12 | C13 | C14 | H132 | 121.0° | 121.3° |
| C12 | C13 | C14 | H131 | 121.0° | 121.6° |
| C12 | C13 | C14 | O16 | 175.2° | 94.0° |
| C12 | C13 | C14 | O15 | 3.9° | 86.0° |
| C13 | C12 | C09 | C08 | 66.0° | 92.3° |
| C13 | C12 | C09 | C10 | 112.2° | 86.8° |
| C13 | C12 | H122 | H121 | 119.7° | 116.6° |
| C12 | C13 | H132 | H131 | 116.7° | 118.1° |
| C09 | C12 | C13 | C14 | 89.0° | 175.5° |
| C12 | C09 | C08 | C11 | 1.1° | 0.9° |
| C12 | C09 | C08 | C10 | 178.5° | 179.3° |
| C12 | C09 | C08 | C07 | 178.8° | 179.9° |
| C12 | C09 | C10 | C17 | 3.7° | 0.1° |
| C12 | C09 | C10 | N02 | 178.9° | 179.6° |
| C09 | C12 | H122 | H121 | 119.7° | 118.4° |
| C09 | C12 | C13 | H132 | 150.0° | 54.3° |
| C09 | C12 | C13 | H131 | 32.1° | 62.9° |
| C13 | C14 | O16 | O15 | 178.9° | 179.9° |
| C14 | C13 | C12 | H122 | 150.9° | 53.4° |
| C14 | C13 | C12 | H121 | 31.2° | 61.4° |
| C14 | C13 | H132 | H131 | 116.8° | 117.8° |
| C13 | C14 | O15 | H1 | 179.0° | 180.0° |
| O16 | C14 | C13 | H132 | 54.1° | 27.3° |
| O16 | C14 | C13 | H131 | 63.8° | 144.4° |
| O16 | C14 | O15 | H1 | 0.0° | 0.0° |
| O15 | C14 | C13 | H132 | 124.9° | 152.6° |
| O15 | C14 | C13 | H131 | 117.2° | 35.6° |
| C22 | C19 | C18 | C17 | 3.0° | 0.4° |
| C22 | C19 | C18 | C20 | 178.5° | 179.3° |
| C22 | C19 | C18 | N03 | 180.0° | 179.9° |
| C22 | C19 | C20 | C23 | 2.7° | 0.6° |
| C22 | C19 | C20 | C21 | 179.6° | 179.7° |
| C19 | C22 | H222 | H223 | 120.0° | 120.6° |
| C19 | C22 | H222 | H221 | 120.0° | 120.4° |
| C19 | C22 | H223 | H221 | 120.0° | 120.4° |
| C11 | C08 | C09 | C07 | 179.9° | 179.0° |
| C11 | C08 | C09 | C10 | 179.6° | 179.8° |
| C11 | C08 | C07 | N02 | 179.6° | 180.0° |
| C11 | C08 | C07 | C06 | 1.5° | 1.6° |
| C08 | C11 | H112 | H111 | 120.0° | 120.4° |
| C08 | C11 | H112 | H113 | 120.0° | 120.6° |
| C08 | C11 | H111 | H113 | 120.0° | 120.1° |
| C08 | C09 | C10 | C17 | 177.7° | 179.4° |
| C08 | C09 | C10 | N02 | 0.2° | 0.3° |
| C09 | C08 | C07 | N02 | 0.3° | 1.0° |
| C09 | C08 | C07 | C06 | 178.7° | 179.5° |
| C09 | C08 | C11 | H112 | 180.0° | 170.7° |
| C09 | C08 | C11 | H111 | 60.0° | 51.0° |
| C09 | C08 | C11 | H113 | 60.0° | 68.9° |
| C08 | C09 | C12 | H122 | 54.1° | 146.0° |
| C08 | C09 | C12 | H121 | 173.9° | 30.1° |
| C10 | C09 | C08 | C07 | 0.3° | 0.8° |
| C09 | C10 | C17 | N02 | 177.2° | 179.7° |
| C09 | C10 | C17 | C18 | 161.0° | 179.0° |
| C09 | C10 | N02 | C07 | 0.0° | 0.3° |
| C09 | C10 | N02 | FE | 177.2° | 176.3° |
| C10 | C09 | C12 | H122 | 127.7° | 34.8° |
| C10 | C09 | C12 | H121 | 7.9° | 150.7° |
| C09 | C10 | C17 | H171 | 19.0° | 1.1° |
| C08 | C07 | N02 | C10 | 0.2° | 0.8° |
| C08 | C07 | N02 | C06 | 179.0° | 178.6° |
| C08 | C07 | N02 | FE | 176.8° | 175.7° |
| C08 | C07 | C06 | C43 | 177.2° | 174.3° |
| C08 | C07 | C06 | H061 | 2.8° | 10.9° |
| C07 | C08 | C11 | H112 | 0.2° | 8.1° |
| C07 | C08 | C11 | H111 | 119.9° | 127.7° |
| C07 | C08 | C11 | H113 | 120.2° | 112.3° |
| C10 | C17 | C18 | H171 | 180.0° | 179.9° |
| C10 | C17 | C18 | C19 | 162.4° | 180.0° |
| C10 | C17 | C18 | N03 | 20.8° | 0.4° |
| C17 | C10 | N02 | C07 | 177.5° | 179.9° |
| C17 | C10 | N02 | FE | 5.3° | 3.4° |
| C18 | C17 | C10 | N02 | 16.2° | 1.3° |
| C17 | C18 | C19 | N03 | 177.1° | 179.7° |
| C17 | C18 | C19 | C20 | 178.5° | 179.7° |
| C17 | C18 | N03 | C21 | 177.5° | 179.7° |
| C17 | C18 | N03 | FE | 3.5° | 5.2° |
| C10 | N02 | C07 | FE | 177.0° | 176.6° |
| C10 | N02 | C07 | C06 | 178.8° | 179.4° |
| C10 | N02 | FE | N03 | 15.2° | 6.1° |
| C10 | N02 | FE | N05 | 177.5° | 176.4° |
| C10 | N02 | FE | N04 | 101.9° | 90.7° |
| N02 | C10 | C17 | H171 | 163.8° | 178.5° |
| C18 | C19 | C20 | C23 | 178.8° | 179.9° |
| C18 | C19 | C20 | C21 | 1.9° | 0.4° |
| C19 | C18 | N03 | C21 | 0.3° | 0.6° |
| C19 | C18 | N03 | FE | 179.3° | 174.4° |
| C19 | C18 | C17 | H171 | 17.6° | 0.1° |
| C18 | C19 | C22 | H222 | 180.0° | 144.9° |
| C18 | C19 | C22 | H223 | 60.0° | 25.3° |
| C18 | C19 | C22 | H221 | 60.0° | 94.9° |
| C20 | C19 | C18 | N03 | 1.4° | 0.6° |
| C19 | C20 | C23 | C21 | 176.3° | 179.7° |
| C19 | C20 | C23 | C24 | 86.7° | 92.0° |
| C19 | C20 | C21 | N03 | 1.9° | 0.0° |
| C19 | C20 | C21 | C28 | 177.1° | 179.4° |
| C20 | C19 | C22 | H222 | 1.8° | 36.0° |
| C20 | C19 | C22 | H223 | 118.2° | 155.5° |
| C20 | C19 | C22 | H221 | 121.8° | 84.3° |
| C19 | C20 | C23 | H232 | 153.6° | 30.2° |
| C19 | C20 | C23 | H231 | 32.9° | 146.1° |
| C18 | N03 | C21 | C20 | 1.0° | 0.4° |
| C18 | N03 | FE | N02 | 10.9° | 7.0° |
| C18 | N03 | C21 | FE | 179.0° | 175.1° |
| C18 | N03 | C21 | C28 | 178.0° | 179.8° |
| C18 | N03 | FE | N05 | 101.7° | 92.9° |
| C18 | N03 | FE | N04 | 178.8° | 177.3° |
| N03 | C18 | C17 | H171 | 159.2° | 179.5° |
| C07 | N02 | FE | N03 | 168.4° | 178.0° |
| N02 | C07 | C06 | C43 | 4.0° | 7.4° |
| C07 | N02 | FE | N05 | 1.0° | 7.7° |
| C07 | N02 | FE | N04 | 81.7° | 93.4° |
| N02 | C07 | C06 | H061 | 176.0° | 167.4° |
| C06 | C07 | N02 | FE | 4.2° | 2.8° |
| C07 | C06 | C43 | H061 | 180.0° | 174.8° |
| C07 | C06 | C43 | N05 | 0.2° | 8.2° |
| C07 | C06 | C43 | C42 | 178.0° | 173.7° |
| C20 | C23 | C24 | H232 | 119.6° | 122.8° |
| C20 | C23 | C24 | H231 | 119.6° | 122.3° |
| C23 | C20 | C21 | N03 | 178.9° | 179.8° |
| C20 | C23 | C24 | C25 | 179.0° | 173.9° |
| C23 | C20 | C21 | C28 | 0.1° | 0.4° |
| C20 | C23 | H232 | H231 | 121.0° | 118.0° |
| C20 | C23 | C24 | H242 | 59.4° | 65.3° |
| C20 | C23 | C24 | H241 | 57.4° | 51.8° |
| C21 | C20 | C23 | C24 | 89.6° | 87.7° |
| C20 | C21 | N03 | C28 | 179.0° | 179.4° |
| C20 | C21 | N03 | FE | 178.0° | 174.7° |
| C20 | C21 | C28 | C29 | 178.5° | 177.5° |
| C21 | C20 | C23 | H232 | 30.1° | 150.0° |
| C21 | C20 | C23 | H231 | 150.8° | 34.1° |
| C20 | C21 | C28 | H281 | 1.5° | 3.4° |
| C23 | C24 | C25 | O27 | 139.3° | 98.9° |
| C23 | C24 | C25 | H242 | 121.6° | 121.1° |
| C23 | C24 | C25 | H241 | 121.6° | 122.0° |
| C23 | C24 | C25 | O26 | 39.9° | 81.1° |
| C24 | C23 | H232 | H231 | 121.1° | 116.6° |
| C23 | C24 | H242 | H241 | 114.8° | 118.1° |
| N02 | FE | N03 | C21 | 167.8° | 178.9° |
| N02 | FE | N03 | N05 | 90.8° | 85.8° |
| N02 | FE | N03 | N04 | 170.3° | 170.2° |
| N02 | FE | N05 | N04 | 170.4° | 170.2° |
| N02 | FE | N05 | C43 | 2.6° | 6.8° |
| N02 | FE | N05 | C40 | 178.7° | 175.7° |
| N02 | FE | N04 | C29 | 88.0° | 93.6° |
| N02 | FE | N04 | C32 | 94.9° | 92.4° |
| O27 | C25 | C24 | O26 | 179.2° | 180.0° |
| O27 | C25 | C24 | H242 | 17.7° | 22.2° |
| O27 | C25 | C24 | H241 | 99.2° | 139.1° |
| O27 | C25 | O26 | H2 | 0.0° | 179.9° |
| C21 | N03 | FE | N05 | 77.1° | 93.1° |
| C21 | N03 | FE | N04 | 2.4° | 8.7° |
| N03 | C21 | C28 | C29 | 0.4° | 3.1° |
| N03 | C21 | C28 | H281 | 179.6° | 175.9° |
| FE | N03 | C21 | C28 | 3.0° | 4.7° |
| N03 | FE | N05 | N04 | 79.2° | 84.4° |
| N03 | FE | N05 | C43 | 88.5° | 92.6° |
| N03 | FE | N05 | C40 | 90.1° | 89.8° |
| N03 | FE | N04 | C29 | 1.0° | 9.0° |
| N03 | FE | N04 | C32 | 178.1° | 177.1° |
| C25 | C24 | C23 | H232 | 59.3° | 51.0° |
| C25 | C24 | C23 | H231 | 61.4° | 63.8° |
| C25 | C24 | H242 | H241 | 114.9° | 117.9° |
| C24 | C25 | O26 | H2 | 179.1° | 0.0° |
| C06 | C43 | N05 | FE | 3.4° | 1.1° |
| C06 | C43 | N05 | C42 | 178.4° | 178.3° |
| C06 | C43 | N05 | C40 | 177.7° | 179.0° |
| C06 | C43 | C42 | C45 | 1.2° | 4.0° |
| C06 | C43 | C42 | C41 | 177.9° | 179.9° |
| O26 | C25 | C24 | H242 | 161.5° | 157.8° |
| O26 | C25 | C24 | H241 | 81.6° | 41.0° |
| C21 | C28 | C29 | H281 | 180.0° | 179.0° |
| C21 | C28 | C29 | N04 | 3.9° | 2.8° |
| C21 | C28 | C29 | C30 | 178.5° | 176.6° |
| FE | N05 | C43 | C40 | 178.9° | 177.9° |
| FE | N05 | C43 | C42 | 178.3° | 177.3° |
| N05 | FE | N04 | C29 | 168.6° | 179.3° |
| N05 | FE | N04 | C32 | 14.3° | 6.8° |
| FE | N05 | C40 | C41 | 178.4° | 178.6° |
| FE | N05 | C40 | C39 | 2.6° | 2.1° |
| N04 | FE | N05 | C43 | 167.8° | 177.0° |
| FE | N04 | C29 | C28 | 3.9° | 5.4° |
| N04 | FE | N05 | C40 | 10.9° | 5.4° |
| FE | N04 | C29 | C32 | 177.6° | 175.0° |
| FE | N04 | C29 | C30 | 178.2° | 175.1° |
| FE | N04 | C32 | C39 | 4.6° | 4.8° |
| FE | N04 | C32 | C31 | 178.1° | 175.4° |
| N05 | C43 | C42 | C45 | 179.6° | 177.8° |
| N05 | C43 | C42 | C41 | 0.5° | 1.7° |
| C43 | N05 | C40 | C41 | 0.5° | 0.6° |
| C43 | N05 | C40 | C39 | 178.4° | 180.0° |
| N05 | C43 | C06 | H061 | 179.8° | 166.6° |
| C43 | C42 | C45 | C46 | 98.9° | 17.1° |
| C42 | C43 | N05 | C40 | 0.7° | 0.7° |
| C43 | C42 | C45 | C41 | 178.9° | 175.6° |
| C43 | C42 | C41 | C40 | 0.2° | 2.0° |
| C43 | C42 | C41 | C44 | 179.9° | 179.3° |
| C42 | C43 | C06 | H061 | 2.0° | 11.4° |
| C43 | C42 | C45 | H451 | 81.2° | 159.9° |
| C46 | C45 | C42 | H451 | 180.0° | 177.0° |
| C46 | C45 | C42 | C41 | 82.3° | 158.5° |
| C45 | C46 | H462 | H461 | 180.0° | 177.3° |
| C28 | C29 | N04 | C30 | 177.9° | 179.5° |
| C28 | C29 | N04 | C32 | 178.5° | 179.6° |
| C28 | C29 | C30 | C34 | 3.1° | 0.1° |
| C28 | C29 | C30 | C31 | 178.4° | 179.3° |
| N05 | C40 | C41 | C42 | 0.2° | 1.7° |
| N05 | C40 | C41 | C39 | 178.9° | 179.3° |
| N05 | C40 | C41 | C44 | 179.7° | 179.6° |
| N05 | C40 | C39 | C32 | 19.2° | 2.9° |
| N05 | C40 | C39 | H391 | 160.8° | 175.0° |
| C45 | C42 | C41 | C40 | 179.2° | 178.5° |
| C45 | C42 | C41 | C44 | 0.8° | 2.8° |
| C42 | C45 | C46 | H462 | 180.0° | 176.4° |
| C42 | C45 | C46 | H461 | 0.0° | 6.3° |
| C42 | C41 | C40 | C44 | 179.9° | 178.7° |
| C42 | C41 | C40 | C39 | 178.7° | 179.0° |
| C42 | C41 | C44 | H441 | 180.0° | 153.0° |
| C42 | C41 | C44 | H442 | 60.0° | 33.5° |
| C42 | C41 | C44 | H443 | 60.0° | 86.7° |
| C41 | C42 | C45 | H451 | 97.7° | 24.5° |
| C29 | N04 | C32 | C39 | 177.7° | 179.8° |
| C29 | N04 | C32 | C31 | 0.4° | 0.4° |
| N04 | C29 | C30 | C34 | 179.1° | 179.6° |
| N04 | C29 | C30 | C31 | 0.6° | 0.2° |
| N04 | C29 | C28 | H281 | 176.1° | 176.2° |
| C32 | N04 | C29 | C30 | 0.6° | 0.2° |
| N04 | C32 | C39 | C40 | 15.5° | 1.4° |
| N04 | C32 | C39 | C31 | 177.0° | 179.7° |
| N04 | C32 | C31 | C30 | 0.1° | 0.6° |
| N04 | C32 | C31 | C33 | 179.9° | 179.9° |
| N04 | C32 | C39 | H391 | 164.5° | 176.4° |
| C29 | C30 | C31 | C32 | 0.3° | 0.5° |
| C29 | C30 | C34 | C31 | 178.1° | 179.3° |
| C29 | C30 | C34 | C35 | 150.9° | 87.2° |
| C29 | C30 | C31 | C33 | 179.7° | 179.8° |
| C30 | C29 | C28 | H281 | 1.5° | 4.4° |
| C29 | C30 | C34 | H341 | 30.1° | 150.6° |
| C29 | C30 | C34 | H342 | 88.3° | 34.6° |
| C41 | C40 | C39 | C32 | 162.0° | 176.3° |
| C41 | C40 | C39 | H391 | 18.0° | 5.8° |
| C40 | C41 | C44 | H441 | 0.1° | 28.5° |
| C40 | C41 | C44 | H442 | 120.1° | 148.0° |
| C40 | C41 | C44 | H443 | 119.9° | 91.8° |
| C39 | C40 | C41 | C44 | 1.3° | 0.3° |
| C40 | C39 | C32 | H391 | 180.0° | 177.9° |
| C40 | C39 | C32 | C31 | 161.5° | 178.3° |
| C41 | C44 | H441 | H442 | 120.0° | 120.5° |
| C41 | C44 | H441 | H443 | 120.0° | 120.4° |
| C41 | C44 | H442 | H443 | 120.0° | 120.4° |
| C39 | C32 | C31 | C30 | 177.5° | 179.7° |
| C39 | C32 | C31 | C33 | 2.6° | 0.4° |
| C32 | C31 | C30 | C34 | 178.7° | 179.9° |
| C32 | C31 | C30 | C33 | 180.0° | 179.3° |
| C32 | C31 | C33 | H331 | 90.0° | 144.2° |
| C32 | C31 | C33 | H332 | 150.0° | 24.6° |
| C32 | C31 | C33 | H333 | 30.0° | 95.6° |
| C31 | C32 | C39 | H391 | 18.4° | 3.8° |
| C30 | C34 | C35 | H341 | 120.8° | 122.9° |
| C30 | C34 | C35 | H342 | 120.8° | 122.2° |
| C30 | C34 | C35 | C36 | 74.2° | 176.3° |
| C34 | C30 | C31 | C33 | 1.3° | 0.8° |
| C30 | C34 | H341 | H342 | 117.5° | 118.1° |
| C30 | C34 | C35 | H352 | 165.4° | 62.9° |
| C30 | C34 | C35 | H351 | 46.1° | 54.2° |
| C31 | C30 | C34 | C35 | 31.0° | 92.2° |
| C30 | C31 | C33 | H331 | 90.0° | 36.6° |
| C30 | C31 | C33 | H332 | 30.0° | 156.2° |
| C30 | C31 | C33 | H333 | 150.0° | 83.6° |
| C31 | C30 | C34 | H341 | 151.8° | 30.1° |
| C31 | C30 | C34 | H342 | 89.8° | 146.0° |
| O37 | C36 | C35 | C34 | 71.4° | 98.9° |
| O37 | C36 | O38 | C35 | 178.2° | 179.9° |
| O37 | C36 | C35 | H352 | 168.3° | 22.2° |
| O37 | C36 | C35 | H351 | 48.9° | 139.0° |
| O37 | C36 | O38 | H3 | 0.0° | 179.9° |
| C34 | C35 | C36 | O38 | 107.0° | 81.1° |
| C34 | C35 | C36 | H352 | 120.3° | 121.1° |
| C34 | C35 | C36 | H351 | 120.3° | 122.0° |
| C35 | C34 | H341 | H342 | 117.5° | 116.6° |
| C34 | C35 | H352 | H351 | 118.9° | 118.1° |
| O38 | C36 | C35 | H352 | 13.3° | 157.8° |
| O38 | C36 | C35 | H351 | 132.6° | 40.9° |
| C36 | C35 | C34 | H341 | 46.6° | 53.4° |
| C36 | C35 | C34 | H342 | 165.0° | 61.5° |
| C36 | C35 | H352 | H351 | 119.0° | 117.9° |
| C35 | C36 | O38 | H3 | 178.2° | 0.1° |
| C31 | C33 | H331 | H332 | 120.0° | 120.6° |
| C31 | C33 | H331 | H333 | 120.0° | 120.3° |
| C31 | C33 | H332 | H333 | 120.0° | 120.4° |
| H112 | C11 | H111 | H113 | 120.0° | 119.0° |
| H122 | C12 | C13 | H132 | 29.9° | 67.8° |
| H122 | C12 | C13 | H131 | 88.0° | 175.0° |
| H121 | C12 | C13 | H132 | 89.9° | 177.4° |
| H121 | C12 | C13 | H131 | 152.2° | 60.2° |
| H222 | C22 | H223 | H221 | 120.0° | 119.1° |
| H232 | C23 | C24 | H242 | 179.1° | 171.8° |
| H232 | C23 | C24 | H241 | 62.3° | 71.1° |
| H231 | C23 | C24 | H242 | 60.2° | 57.0° |
| H231 | C23 | C24 | H241 | 177.0° | 174.1° |
| H331 | C33 | H332 | H333 | 120.0° | 119.1° |
| H341 | C34 | C35 | H352 | 73.8° | 174.2° |
| H341 | C34 | C35 | H351 | 166.9° | 68.7° |
| H342 | C34 | C35 | H352 | 44.6° | 59.3° |
| H342 | C34 | C35 | H351 | 74.7° | 176.4° |
| H441 | C44 | H442 | H443 | 120.0° | 119.0° |
| H451 | C45 | C46 | H462 | 0.0° | 0.7° |
| H451 | C45 | C46 | H461 | 180.0° | 176.6° |
