BO9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C35 | doub | 1.22Å | 1.22Å | |
| C35 | O37 | sing | 1.35Å | 1.47Å | |
| C35 | N34 | sing | 1.35Å | 1.34Å | |
| O37 | C38 | sing | 1.45Å | 1.44Å | |
| C38 | C41 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H413 | 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 | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| N34 | C30 | sing | 1.47Å | 1.46Å | |
| N34 | H34 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| C31 | O33 | doub | 1.21Å | 1.25Å | |
| C31 | O32 | sing | 1.34Å | 1.25Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C28 | C26 | sing | 1.51Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C26 | N25 | sing | 1.35Å | 1.34Å | |
| N25 | C9 | sing | 1.46Å | 1.46Å | |
| N25 | H25 | sing | 0.97Å | 1.02Å | |
| C9 | C7 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C7 | N6 | sing | 1.35Å | 1.34Å | |
| N6 | C4 | sing | 1.47Å | 1.46Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | B1 | sing | 1.57Å | 1.61Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| B1 | O3 | sing | 1.42Å | 1.54Å | |
| B1 | O2 | sing | 1.42Å | 1.53Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | N14 | sing | 1.46Å | 1.46Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| N14 | C15 | sing | 1.35Å | 1.34Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C15 | O17 | sing | 1.35Å | 1.46Å | |
| O17 | C18 | sing | 1.45Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | C35 | O37 | 119.1° | 120.0° |
| O36 | C35 | N34 | 120.2° | 120.0° |
| O37 | C35 | N34 | 120.7° | 120.0° |
| C35 | O37 | C38 | 125.9° | 120.0° |
| C35 | N34 | C30 | 124.7° | 120.0° |
| C35 | N34 | H34 | 112.7° | 120.0° |
| O37 | C38 | C41 | 110.3° | 109.5° |
| O37 | C38 | C40 | 107.7° | 109.5° |
| O37 | C38 | C39 | 111.1° | 109.5° |
| C41 | C38 | C40 | 108.8° | 109.4° |
| C41 | C38 | C39 | 109.5° | 109.5° |
| C38 | C41 | H411 | 110.4° | 109.5° |
| C38 | C41 | H412 | 111.9° | 109.5° |
| C38 | C41 | H413 | 111.9° | 109.5° |
| C40 | C38 | C39 | 109.4° | 109.4° |
| C38 | C40 | H401 | 107.7° | 109.5° |
| C38 | C40 | H402 | 112.8° | 109.5° |
| C38 | C40 | H403 | 112.9° | 109.5° |
| C38 | C39 | H391 | 111.1° | 109.4° |
| C38 | C39 | H392 | 111.6° | 109.5° |
| C38 | C39 | H393 | 111.6° | 109.5° |
| H411 | C41 | H412 | 111.9° | 109.4° |
| H411 | C41 | H413 | 111.9° | 109.4° |
| H412 | C41 | H413 | 98.4° | 109.5° |
| H401 | C40 | H402 | 112.9° | 109.4° |
| H401 | C40 | H403 | 112.9° | 109.4° |
| H402 | C40 | H403 | 97.6° | 109.5° |
| H391 | C39 | H392 | 111.7° | 109.4° |
| H391 | C39 | H393 | 111.6° | 109.5° |
| H392 | C39 | H393 | 98.7° | 109.5° |
| C30 | N34 | H34 | 122.5° | 120.0° |
| N34 | C30 | C31 | 112.8° | 109.4° |
| N34 | C30 | C29 | 106.6° | 109.5° |
| N34 | C30 | H30 | 109.6° | 109.5° |
| C31 | C30 | C29 | 110.7° | 109.4° |
| C31 | C30 | H30 | 105.5° | 109.5° |
| C30 | C31 | O33 | 119.6° | 120.0° |
| C30 | C31 | O32 | 118.1° | 120.0° |
| C29 | C30 | H30 | 111.7° | 109.5° |
| C30 | C29 | C28 | 113.1° | 109.5° |
| C30 | C29 | H291 | 110.9° | 109.5° |
| C30 | C29 | H292 | 110.9° | 109.5° |
| O33 | C31 | O32 | 122.3° | 120.0° |
| C31 | O32 | H32 | 118.1° | 120.0° |
| C28 | C29 | H291 | 110.8° | 109.5° |
| C28 | C29 | H292 | 110.9° | 109.4° |
| C29 | C28 | C26 | 115.1° | 109.5° |
| C29 | C28 | H281 | 110.2° | 109.5° |
| C29 | C28 | H282 | 110.2° | 109.5° |
| H291 | C29 | H292 | 99.4° | 109.5° |
| C26 | C28 | H281 | 110.1° | 109.5° |
| C26 | C28 | H282 | 110.1° | 109.4° |
| C28 | C26 | O27 | 119.8° | 120.0° |
| C28 | C26 | N25 | 117.8° | 120.0° |
| H281 | C28 | H282 | 100.0° | 109.4° |
| O27 | C26 | N25 | 122.4° | 120.0° |
| C26 | N25 | C9 | 122.1° | 120.0° |
| C26 | N25 | H25 | 114.4° | 119.9° |
| C9 | N25 | H25 | 123.5° | 120.0° |
| N25 | C9 | C7 | 106.0° | 109.5° |
| N25 | C9 | C10 | 104.1° | 109.5° |
| N25 | C9 | H9 | 115.5° | 109.5° |
| C7 | C9 | C10 | 110.7° | 109.5° |
| C7 | C9 | H9 | 109.3° | 109.4° |
| C9 | C7 | O8 | 120.1° | 120.0° |
| C9 | C7 | N6 | 117.8° | 120.0° |
| C10 | C9 | H9 | 111.1° | 109.5° |
| C9 | C10 | C11 | 115.4° | 109.5° |
| C9 | C10 | H101 | 110.0° | 109.5° |
| C9 | C10 | H102 | 110.1° | 109.5° |
| O8 | C7 | N6 | 122.0° | 120.0° |
| C7 | N6 | C4 | 120.5° | 120.0° |
| C7 | N6 | HN6 | 115.3° | 120.0° |
| C4 | N6 | HN6 | 124.1° | 119.9° |
| N6 | C4 | C5 | 109.0° | 109.5° |
| N6 | C4 | B1 | 109.4° | 109.5° |
| N6 | C4 | H4 | 110.5° | 109.4° |
| C5 | C4 | B1 | 111.4° | 109.5° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C4 | C5 | H51 | 109.0° | 109.5° |
| C4 | C5 | H52 | 112.4° | 109.5° |
| C4 | C5 | H53 | 112.4° | 109.4° |
| B1 | C4 | H4 | 108.1° | 109.5° |
| C4 | B1 | O3 | 110.5° | 120.0° |
| C4 | B1 | O2 | 111.4° | 120.0° |
| H51 | C5 | H52 | 112.3° | 109.5° |
| H51 | C5 | H53 | 112.4° | 109.5° |
| H52 | C5 | H53 | 98.0° | 109.5° |
| O3 | B1 | O2 | 109.1° | 120.0° |
| B1 | O3 | HO3 | 110.4° | 106.8° |
| B1 | O2 | HO2 | 111.5° | 106.8° |
| C11 | C10 | H101 | 110.0° | 109.5° |
| C11 | C10 | H102 | 110.0° | 109.4° |
| C10 | C11 | C12 | 108.4° | 109.5° |
| C10 | C11 | H111 | 112.6° | 109.5° |
| C10 | C11 | H112 | 112.6° | 109.4° |
| H101 | C10 | H102 | 100.2° | 109.5° |
| C12 | C11 | H111 | 112.6° | 109.5° |
| C12 | C11 | H112 | 112.6° | 109.5° |
| C11 | C12 | C13 | 112.7° | 109.5° |
| C11 | C12 | H121 | 111.0° | 109.5° |
| C11 | C12 | H122 | 111.0° | 109.5° |
| H111 | C11 | H112 | 97.8° | 109.4° |
| C13 | C12 | H121 | 111.1° | 109.5° |
| C13 | C12 | H122 | 111.0° | 109.4° |
| C12 | C13 | N14 | 108.4° | 109.5° |
| C12 | C13 | H131 | 112.6° | 109.4° |
| C12 | C13 | H132 | 112.6° | 109.4° |
| H121 | C12 | H122 | 99.3° | 109.4° |
| N14 | C13 | H131 | 112.6° | 109.5° |
| N14 | C13 | H132 | 112.6° | 109.5° |
| C13 | N14 | C15 | 129.8° | 120.0° |
| C13 | N14 | H14 | 120.2° | 120.0° |
| H131 | C13 | H132 | 97.8° | 109.5° |
| C15 | N14 | H14 | 110.0° | 120.0° |
| N14 | C15 | O16 | 121.3° | 120.0° |
| N14 | C15 | O17 | 121.3° | 120.0° |
| O16 | C15 | O17 | 117.4° | 120.0° |
| C15 | O17 | C18 | 120.7° | 120.0° |
| O17 | C18 | C19 | 111.9° | 109.4° |
| O17 | C18 | H181 | 111.3° | 109.5° |
| O17 | C18 | H182 | 111.3° | 109.5° |
| C19 | C18 | H181 | 111.3° | 109.5° |
| C19 | C18 | H182 | 111.3° | 109.5° |
| C18 | C19 | C24 | 119.6° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| H181 | C18 | H182 | 99.0° | 109.5° |
| C24 | C19 | C20 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C19 | C24 | H24 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C24 | C23 | C22 | 119.8° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C22 | C23 | H23 | 120.1° | 120.0° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C35 | O37 | N34 | 178.9° | 179.9° |
| O36 | C35 | O37 | C38 | 37.6° | 0.0° |
| O36 | C35 | N34 | C30 | 179.8° | 0.1° |
| O36 | C35 | N34 | H34 | 0.2° | 180.0° |
| C35 | O37 | C38 | C41 | 52.0° | 60.0° |
| C35 | O37 | C38 | C40 | 170.6° | 180.0° |
| C35 | O37 | C38 | C39 | 69.6° | 60.0° |
| O37 | C35 | N34 | C30 | 1.3° | 180.0° |
| O37 | C35 | N34 | H34 | 178.7° | 0.1° |
| N34 | C35 | O37 | C38 | 143.5° | 180.0° |
| C35 | N34 | C30 | H34 | 180.0° | 179.9° |
| C35 | N34 | C30 | C31 | 59.8° | 85.1° |
| C35 | N34 | C30 | C29 | 178.5° | 155.0° |
| C35 | N34 | C30 | H30 | 57.4° | 35.0° |
| O37 | C38 | C41 | C40 | 117.9° | 120.0° |
| O37 | C38 | C41 | C39 | 122.6° | 120.1° |
| O37 | C38 | C40 | C39 | 120.8° | 120.0° |
| O37 | C38 | C41 | H411 | 180.0° | 60.0° |
| O37 | C38 | C41 | H412 | 54.7° | 179.9° |
| O37 | C38 | C41 | H413 | 54.7° | 60.0° |
| O37 | C38 | C40 | H401 | 180.0° | 60.0° |
| O37 | C38 | C40 | H402 | 54.7° | 180.0° |
| O37 | C38 | C40 | H403 | 54.7° | 59.9° |
| O37 | C38 | C39 | H391 | 180.0° | 60.1° |
| O37 | C38 | C39 | H392 | 54.7° | 180.0° |
| O37 | C38 | C39 | H393 | 54.7° | 60.0° |
| C41 | C38 | C40 | C39 | 119.6° | 120.0° |
| C38 | C41 | H411 | H412 | 125.3° | 120.0° |
| C38 | C41 | H411 | H413 | 125.3° | 120.0° |
| C38 | C41 | H412 | H413 | 117.8° | 120.0° |
| C41 | C38 | C40 | H401 | 60.4° | 180.0° |
| C41 | C38 | C40 | H402 | 64.9° | 60.0° |
| C41 | C38 | C40 | H403 | 174.3° | 60.1° |
| C41 | C38 | C39 | H391 | 57.8° | 60.0° |
| C41 | C38 | C39 | H392 | 176.8° | 59.9° |
| C41 | C38 | C39 | H393 | 67.4° | 180.0° |
| C40 | C38 | C41 | H411 | 62.1° | 60.0° |
| C40 | C38 | C41 | H412 | 172.7° | 59.9° |
| C40 | C38 | C41 | H413 | 63.3° | 180.0° |
| C38 | C40 | H401 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H403 | 125.3° | 120.0° |
| C38 | C40 | H402 | H403 | 118.8° | 120.1° |
| C40 | C38 | C39 | H391 | 61.3° | 179.9° |
| C40 | C38 | C39 | H392 | 64.0° | 60.0° |
| C40 | C38 | C39 | H393 | 173.4° | 60.0° |
| C39 | C38 | C41 | H411 | 57.4° | 180.0° |
| C39 | C38 | C41 | H412 | 67.9° | 60.0° |
| C39 | C38 | C41 | H413 | 177.3° | 60.1° |
| C39 | C38 | C40 | H401 | 59.2° | 60.0° |
| C39 | C38 | C40 | H402 | 175.5° | 60.0° |
| C39 | C38 | C40 | H403 | 66.1° | 180.0° |
| C38 | C39 | H391 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H393 | 125.2° | 120.0° |
| C38 | C39 | H392 | H393 | 117.5° | 120.0° |
| H411 | C41 | H412 | H413 | 117.8° | 120.0° |
| H401 | C40 | H402 | H403 | 118.9° | 119.9° |
| H391 | C39 | H392 | H393 | 117.5° | 120.0° |
| N34 | C30 | C31 | C29 | 119.4° | 120.0° |
| N34 | C30 | C31 | H30 | 119.6° | 120.1° |
| N34 | C30 | C29 | H30 | 119.7° | 120.1° |
| N34 | C30 | C31 | O33 | 62.5° | 0.1° |
| N34 | C30 | C31 | O32 | 117.0° | 180.0° |
| N34 | C30 | C29 | C28 | 36.6° | 65.0° |
| N34 | C30 | C29 | H291 | 88.6° | 175.0° |
| N34 | C30 | C29 | H292 | 161.9° | 55.0° |
| H34 | N34 | C30 | C31 | 120.3° | 95.0° |
| H34 | N34 | C30 | C29 | 1.4° | 24.9° |
| H34 | N34 | C30 | H30 | 122.5° | 145.0° |
| C31 | C30 | C29 | H30 | 117.2° | 120.0° |
| C30 | C31 | O33 | O32 | 179.5° | 179.9° |
| C30 | C31 | O32 | H32 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 159.6° | 175.0° |
| C31 | C30 | C29 | H291 | 34.4° | 55.0° |
| C31 | C30 | C29 | H292 | 75.1° | 65.0° |
| C29 | C30 | C31 | O33 | 56.9° | 120.0° |
| C29 | C30 | C31 | O32 | 123.6° | 60.0° |
| C30 | C29 | C28 | H291 | 125.3° | 120.0° |
| C30 | C29 | C28 | H292 | 125.3° | 120.0° |
| C30 | C29 | H291 | H292 | 116.8° | 120.0° |
| C30 | C29 | C28 | C26 | 141.1° | 180.0° |
| C30 | C29 | C28 | H281 | 15.9° | 60.0° |
| C30 | C29 | C28 | H282 | 93.6° | 60.0° |
| H30 | C30 | C31 | O33 | 177.9° | 120.0° |
| H30 | C30 | C31 | O32 | 2.6° | 59.9° |
| H30 | C30 | C29 | C28 | 83.1° | 55.0° |
| H30 | C30 | C29 | H291 | 151.6° | 65.0° |
| H30 | C30 | C29 | H292 | 42.1° | 175.0° |
| O33 | C31 | O32 | H32 | 0.5° | 0.0° |
| C28 | C29 | H291 | H292 | 116.7° | 120.0° |
| C29 | C28 | C26 | H281 | 125.3° | 120.1° |
| C29 | C28 | C26 | H282 | 125.3° | 120.0° |
| C29 | C28 | H281 | H282 | 116.0° | 120.0° |
| C29 | C28 | C26 | O27 | 121.6° | 0.0° |
| C29 | C28 | C26 | N25 | 59.8° | 180.0° |
| H291 | C29 | C28 | C26 | 93.6° | 60.0° |
| H291 | C29 | C28 | H281 | 141.1° | 179.9° |
| H291 | C29 | C28 | H282 | 31.6° | 60.0° |
| H292 | C29 | C28 | C26 | 15.8° | 60.0° |
| H292 | C29 | C28 | H281 | 109.4° | 60.1° |
| H292 | C29 | C28 | H282 | 141.1° | 180.0° |
| C26 | C28 | H281 | H282 | 115.9° | 119.9° |
| C28 | C26 | O27 | N25 | 178.5° | 180.0° |
| C28 | C26 | N25 | C9 | 177.8° | 180.0° |
| C28 | C26 | N25 | H25 | 2.2° | 0.0° |
| H281 | C28 | C26 | O27 | 113.1° | 120.0° |
| H281 | C28 | C26 | N25 | 65.5° | 59.9° |
| H282 | C28 | C26 | O27 | 3.7° | 120.0° |
| H282 | C28 | C26 | N25 | 174.9° | 60.0° |
| O27 | C26 | N25 | C9 | 0.7° | 0.1° |
| O27 | C26 | N25 | H25 | 179.3° | 180.0° |
| C26 | N25 | C9 | H25 | 180.0° | 180.0° |
| C26 | N25 | C9 | C7 | 91.1° | 85.0° |
| C26 | N25 | C9 | C10 | 152.2° | 155.0° |
| C26 | N25 | C9 | H9 | 30.1° | 34.9° |
| N25 | C9 | C7 | C10 | 112.2° | 120.0° |
| N25 | C9 | C7 | H9 | 125.1° | 119.9° |
| N25 | C9 | C10 | H9 | 124.9° | 120.0° |
| N25 | C9 | C7 | O8 | 50.6° | 0.0° |
| N25 | C9 | C7 | N6 | 126.0° | 180.0° |
| N25 | C9 | C10 | C11 | 149.0° | 65.1° |
| N25 | C9 | C10 | H101 | 23.7° | 55.0° |
| N25 | C9 | C10 | H102 | 85.8° | 175.0° |
| H25 | N25 | C9 | C7 | 88.9° | 95.0° |
| H25 | N25 | C9 | C10 | 27.9° | 24.9° |
| H25 | N25 | C9 | H9 | 149.9° | 145.0° |
| C7 | C9 | C10 | H9 | 121.6° | 120.0° |
| C9 | C7 | O8 | N6 | 176.5° | 180.0° |
| C9 | C7 | N6 | C4 | 179.0° | 180.0° |
| C9 | C7 | N6 | HN6 | 1.1° | 0.0° |
| C7 | C9 | C10 | C11 | 97.6° | 175.0° |
| C7 | C9 | C10 | H101 | 137.2° | 65.0° |
| C7 | C9 | C10 | H102 | 27.7° | 55.0° |
| C10 | C9 | C7 | O8 | 61.6° | 120.0° |
| C10 | C9 | C7 | N6 | 121.7° | 60.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 119.9° |
| C9 | C10 | H101 | H102 | 115.9° | 120.0° |
| C9 | C10 | C11 | C12 | 169.8° | 180.0° |
| C9 | C10 | C11 | H111 | 64.9° | 59.9° |
| C9 | C10 | C11 | H112 | 44.5° | 60.0° |
| H9 | C9 | C7 | O8 | 175.7° | 120.0° |
| H9 | C9 | C7 | N6 | 1.0° | 60.1° |
| H9 | C9 | C10 | C11 | 24.1° | 55.0° |
| H9 | C9 | C10 | H101 | 101.1° | 175.0° |
| H9 | C9 | C10 | H102 | 149.3° | 65.0° |
| O8 | C7 | N6 | C4 | 2.4° | 0.0° |
| O8 | C7 | N6 | HN6 | 177.6° | 180.0° |
| C7 | N6 | C4 | HN6 | 180.0° | 180.0° |
| C7 | N6 | C4 | C5 | 110.2° | 135.0° |
| C7 | N6 | C4 | B1 | 127.8° | 105.0° |
| C7 | N6 | C4 | H4 | 8.9° | 15.0° |
| N6 | C4 | C5 | B1 | 120.8° | 120.0° |
| N6 | C4 | C5 | H4 | 120.4° | 119.9° |
| N6 | C4 | B1 | H4 | 120.4° | 119.9° |
| N6 | C4 | C5 | H51 | 179.9° | 60.0° |
| N6 | C4 | C5 | H52 | 54.7° | 60.0° |
| N6 | C4 | C5 | H53 | 54.7° | 180.0° |
| N6 | C4 | B1 | O3 | 65.7° | 90.0° |
| N6 | C4 | B1 | O2 | 55.7° | 90.0° |
| HN6 | N6 | C4 | C5 | 69.7° | 45.0° |
| HN6 | N6 | C4 | B1 | 52.2° | 75.0° |
| HN6 | N6 | C4 | H4 | 171.1° | 165.0° |
| C5 | C4 | B1 | H4 | 119.1° | 120.0° |
| C4 | C5 | H51 | H52 | 125.2° | 120.0° |
| C4 | C5 | H51 | H53 | 125.4° | 120.0° |
| C4 | C5 | H52 | H53 | 118.3° | 120.0° |
| C5 | C4 | B1 | O3 | 173.7° | 150.0° |
| C5 | C4 | B1 | O2 | 64.8° | 30.0° |
| B1 | C4 | C5 | H51 | 59.1° | 60.0° |
| B1 | C4 | C5 | H52 | 66.0° | 180.0° |
| B1 | C4 | C5 | H53 | 175.5° | 60.0° |
| C4 | B1 | O3 | O2 | 122.8° | 180.0° |
| C4 | B1 | O3 | HO3 | 180.0° | 0.0° |
| C4 | B1 | O2 | HO2 | 180.0° | 180.0° |
| H4 | C4 | C5 | H51 | 59.7° | 180.0° |
| H4 | C4 | C5 | H52 | 175.1° | 60.0° |
| H4 | C4 | C5 | H53 | 65.7° | 60.0° |
| H4 | C4 | B1 | O3 | 54.7° | 30.0° |
| H4 | C4 | B1 | O2 | 176.1° | 150.1° |
| H51 | C5 | H52 | H53 | 118.3° | 120.0° |
| O3 | B1 | O2 | HO2 | 57.8° | 0.0° |
| O2 | B1 | O3 | HO3 | 57.2° | 179.9° |
| C11 | C10 | H101 | H102 | 115.9° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 118.5° | 120.0° |
| C10 | C11 | C12 | C13 | 111.0° | 180.0° |
| C10 | C11 | C12 | H121 | 14.3° | 60.0° |
| C10 | C11 | C12 | H122 | 123.7° | 60.0° |
| H101 | C10 | C11 | C12 | 44.6° | 60.0° |
| H101 | C10 | C11 | H111 | 169.9° | 180.0° |
| H101 | C10 | C11 | H112 | 80.7° | 60.0° |
| H102 | C10 | C11 | C12 | 64.9° | 60.0° |
| H102 | C10 | C11 | H111 | 60.3° | 60.0° |
| H102 | C10 | C11 | H112 | 169.8° | 180.0° |
| C12 | C11 | H111 | H112 | 118.5° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 116.9° | 120.0° |
| C11 | C12 | C13 | N14 | 114.8° | 180.0° |
| C11 | C12 | C13 | H131 | 119.9° | 60.0° |
| C11 | C12 | C13 | H132 | 10.5° | 60.0° |
| H111 | C11 | C12 | C13 | 123.7° | 60.0° |
| H111 | C11 | C12 | H121 | 111.0° | 180.0° |
| H111 | C11 | C12 | H122 | 1.5° | 60.0° |
| H112 | C11 | C12 | C13 | 14.3° | 60.0° |
| H112 | C11 | C12 | H121 | 139.6° | 60.0° |
| H112 | C11 | C12 | H122 | 111.0° | 180.0° |
| C13 | C12 | H121 | H122 | 116.9° | 119.9° |
| C12 | C13 | N14 | H131 | 125.3° | 120.0° |
| C12 | C13 | N14 | H132 | 125.3° | 119.9° |
| C12 | C13 | H131 | H132 | 118.5° | 119.9° |
| C12 | C13 | N14 | C15 | 100.2° | 180.0° |
| C12 | C13 | N14 | H14 | 79.8° | 0.0° |
| H121 | C12 | C13 | N14 | 10.5° | 60.0° |
| H121 | C12 | C13 | H131 | 114.8° | 180.0° |
| H121 | C12 | C13 | H132 | 135.7° | 60.0° |
| H122 | C12 | C13 | N14 | 119.9° | 60.0° |
| H122 | C12 | C13 | H131 | 5.4° | 60.0° |
| H122 | C12 | C13 | H132 | 114.8° | 180.0° |
| N14 | C13 | H131 | H132 | 118.5° | 120.1° |
| C13 | N14 | C15 | H14 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 179.3° | 0.1° |
| C13 | N14 | C15 | O17 | 1.0° | 180.0° |
| H131 | C13 | N14 | C15 | 25.1° | 60.0° |
| H131 | C13 | N14 | H14 | 154.9° | 119.9° |
| H132 | C13 | N14 | C15 | 134.5° | 60.1° |
| H132 | C13 | N14 | H14 | 45.4° | 120.0° |
| N14 | C15 | O16 | O17 | 179.7° | 179.9° |
| N14 | C15 | O17 | C18 | 80.2° | 180.0° |
| H14 | N14 | C15 | O16 | 0.7° | 180.0° |
| H14 | N14 | C15 | O17 | 179.0° | 0.1° |
| O16 | C15 | O17 | C18 | 99.6° | 0.1° |
| C15 | O17 | C18 | C19 | 140.1° | 180.0° |
| C15 | O17 | C18 | H181 | 14.8° | 60.0° |
| C15 | O17 | C18 | H182 | 94.6° | 60.1° |
| O17 | C18 | C19 | H181 | 125.3° | 120.0° |
| O17 | C18 | C19 | H182 | 125.2° | 120.0° |
| O17 | C18 | H181 | H182 | 117.2° | 120.0° |
| O17 | C18 | C19 | C24 | 148.9° | 90.0° |
| O17 | C18 | C19 | C20 | 31.3° | 90.3° |
| C19 | C18 | H181 | H182 | 117.2° | 120.0° |
| C18 | C19 | C24 | C20 | 179.8° | 179.7° |
| C18 | C19 | C24 | C23 | 180.0° | 180.0° |
| C18 | C19 | C24 | H24 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 179.9° | 179.8° |
| C18 | C19 | C20 | H20 | 0.1° | 0.3° |
| H181 | C18 | C19 | C24 | 23.6° | 30.0° |
| H181 | C18 | C19 | C20 | 156.6° | 149.7° |
| H182 | C18 | C19 | C24 | 85.9° | 150.0° |
| H182 | C18 | C19 | C20 | 93.9° | 29.7° |
| C19 | C24 | C23 | H24 | 179.9° | 180.0° |
| C19 | C24 | C23 | C22 | 0.3° | 0.0° |
| C19 | C24 | C23 | H23 | 179.8° | 180.0° |
| C24 | C19 | C20 | C21 | 0.1° | 0.5° |
| C24 | C19 | C20 | H20 | 179.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.3° |
| C20 | C19 | C24 | H24 | 179.7° | 179.8° |
| C19 | C20 | C21 | C22 | 0.0° | 0.4° |
| C19 | C20 | C21 | H20 | 180.0° | 179.5° |
| C19 | C20 | C21 | H21 | 179.9° | 179.7° |
| C24 | C23 | C22 | H23 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C24 | C23 | C22 | H22 | 179.7° | 179.9° |
| H24 | C24 | C23 | C22 | 179.6° | 180.0° |
| H24 | C24 | C23 | H23 | 0.3° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.2° |
| C23 | C22 | C21 | H21 | 180.0° | 179.9° |
| H23 | C23 | C22 | C21 | 179.9° | 180.0° |
| H23 | C23 | C22 | H22 | 0.2° | 0.1° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C22 | C21 | C20 | H20 | 180.0° | 180.0° |
| H22 | C22 | C21 | C20 | 179.9° | 179.9° |
| H22 | C22 | C21 | H21 | 0.0° | 0.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.1° |
