BC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C2 | doub | 1.23Å | 1.26Å | |
| C2 | C3 | sing | 1.46Å | 1.41Å | |
| C3 | C4 | doub | 1.32Å | 1.40Å | |
| C4 | C5 | sing | 1.50Å | 1.42Å | |
| C5 | O24 | doub | 1.21Å | 1.28Å | |
| C5 | C6 | sing | 1.43Å | 1.41Å | |
| C3 | N22 | sing | 1.42Å | 1.38Å | |
| N22 | C21 | sing | 1.30Å | 1.38Å | |
| C21 | O37 | doub | 1.18Å | 1.24Å | |
| C21 | C20 | sing | 1.47Å | 1.36Å | |
| C20 | C36 | sing | 1.50Å | 1.53Å | |
| C20 | C19 | doub | 1.34Å | 1.31Å | |
| C19 | C18 | sing | 1.53Å | 1.28Å | |
| C18 | C17 | doub | 1.34Å | 1.30Å | |
| C17 | C16 | sing | 1.58Å | 1.50Å | |
| C16 | C35 | sing | 1.52Å | 1.54Å | |
| C2 | C1 | sing | 1.49Å | 1.41Å | |
| C6 | C1 | doub | 1.42Å | 1.42Å | |
| C1 | C7 | sing | 1.49Å | 1.50Å | |
| C7 | O38 | sing | 1.33Å | 1.44Å | |
| O38 | C39 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C25 | sing | 1.50Å | 1.54Å | |
| C8 | C9 | sing | 1.52Å | 1.53Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C10 | O26 | sing | 1.33Å | 1.44Å | |
| O26 | C27 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | O28 | sing | 1.47Å | 1.45Å | |
| O28 | C40 | sing | 1.43Å | 1.47Å | |
| C11 | C12 | sing | 1.50Å | 1.55Å | |
| C12 | C29 | sing | 1.55Å | 1.53Å | |
| C12 | C13 | sing | 1.42Å | 1.51Å | |
| C13 | C14 | doub | 1.32Å | 1.35Å | |
| C14 | C30 | sing | 1.42Å | 1.51Å | |
| C16 | C15 | sing | 1.46Å | 1.55Å | |
| C14 | C15 | sing | 1.59Å | 1.50Å | |
| C15 | O31 | sing | 1.52Å | 1.44Å | |
| O31 | C32 | sing | 1.35Å | 1.42Å | |
| C32 | O33 | doub | 1.22Å | 1.24Å | |
| C32 | N34 | sing | 1.35Å | 1.32Å | |
| C4 | H4C1 | sing | 1.13Å | 1.08Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C6 | H6C1 | sing | 1.05Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.11Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.07Å | 1.10Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| C8 | H8 | sing | 1.16Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C9 | H9C1 | sing | 1.05Å | 1.10Å | |
| C9 | H9C2 | sing | 1.19Å | 1.10Å | |
| C10 | H10 | sing | 1.14Å | 1.10Å | |
| C11 | H11 | sing | 1.18Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.15Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| N34 | H342 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | H19 | sing | 1.04Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C2 | C3 | 118.5° | 120.8° |
| O23 | C2 | C1 | 119.3° | 116.7° |
| C2 | C3 | C4 | 117.3° | 120.4° |
| C2 | C3 | N22 | 122.4° | 118.8° |
| C3 | C2 | C1 | 122.1° | 121.9° |
| C3 | C4 | C5 | 122.0° | 118.9° |
| C4 | C3 | N22 | 120.2° | 120.8° |
| C3 | C4 | H4C1 | 119.0° | 121.1° |
| C4 | C5 | O24 | 119.1° | 116.7° |
| C4 | C5 | C6 | 119.8° | 121.5° |
| C5 | C4 | H4C1 | 119.0° | 119.8° |
| O24 | C5 | C6 | 121.1° | 121.3° |
| C5 | C6 | C1 | 118.7° | 120.0° |
| C5 | C6 | H6C1 | 120.7° | 126.6° |
| C3 | N22 | C21 | 127.4° | 119.9° |
| C3 | N22 | H22 | 116.3° | 116.3° |
| N22 | C21 | O37 | 122.3° | 123.0° |
| N22 | C21 | C20 | 124.1° | 123.6° |
| C21 | N22 | H22 | 116.3° | 123.8° |
| O37 | C21 | C20 | 113.5° | 113.1° |
| C21 | C20 | C36 | 122.8° | 119.1° |
| C21 | C20 | C19 | 122.8° | 115.7° |
| C36 | C20 | C19 | 113.2° | 124.8° |
| C20 | C36 | H361 | 109.5° | 109.4° |
| C20 | C36 | H362 | 109.4° | 109.5° |
| C20 | C36 | H363 | 109.5° | 109.4° |
| C20 | C19 | C18 | 150.0° | 118.7° |
| C20 | C19 | H19 | 105.0° | 122.4° |
| C19 | C18 | C17 | 156.1° | 119.5° |
| C19 | C18 | H18 | 101.9° | 121.1° |
| C18 | C19 | H19 | 105.0° | 118.8° |
| C18 | C17 | C16 | 108.0° | 121.8° |
| C18 | C17 | H17 | 126.0° | 119.3° |
| C17 | C18 | H18 | 102.0° | 119.4° |
| C17 | C16 | C35 | 108.7° | 108.3° |
| C17 | C16 | C15 | 112.1° | 106.5° |
| C16 | C17 | H17 | 126.0° | 118.9° |
| C17 | C16 | H16 | 109.9° | 109.1° |
| C35 | C16 | C15 | 114.1° | 113.3° |
| C35 | C16 | H16 | 107.8° | 108.8° |
| C16 | C35 | H351 | 109.5° | 109.5° |
| C16 | C35 | H352 | 109.5° | 109.4° |
| C16 | C35 | H353 | 109.5° | 109.4° |
| C2 | C1 | C6 | 119.9° | 115.6° |
| C2 | C1 | C7 | 118.5° | 122.0° |
| C6 | C1 | C7 | 121.6° | 121.7° |
| C1 | C6 | H6C1 | 120.6° | 113.2° |
| C1 | C7 | O38 | 109.6° | 111.2° |
| C1 | C7 | C8 | 113.8° | 105.2° |
| C1 | C7 | H7 | 105.5° | 106.6° |
| C7 | O38 | C39 | 111.8° | 114.0° |
| O38 | C7 | C8 | 106.3° | 115.7° |
| O38 | C7 | H7 | 113.1° | 111.9° |
| O38 | C39 | H391 | 109.5° | 109.5° |
| O38 | C39 | H392 | 109.5° | 109.4° |
| O38 | C39 | H393 | 109.5° | 109.4° |
| C7 | C8 | C25 | 117.5° | 113.6° |
| C7 | C8 | C9 | 110.1° | 108.4° |
| C8 | C7 | H7 | 108.8° | 105.5° |
| C7 | C8 | H8 | 103.3° | 108.2° |
| C25 | C8 | C9 | 109.5° | 113.3° |
| C25 | C8 | H8 | 103.9° | 109.8° |
| C8 | C25 | H251 | 109.5° | 109.5° |
| C8 | C25 | H252 | 109.5° | 109.5° |
| C8 | C25 | H253 | 109.5° | 109.5° |
| C8 | C9 | C10 | 120.2° | 112.4° |
| C9 | C8 | H8 | 112.3° | 102.8° |
| C8 | C9 | H9C1 | 106.0° | 112.2° |
| C8 | C9 | H9C2 | 103.5° | 108.3° |
| C9 | C10 | O26 | 112.0° | 118.0° |
| C9 | C10 | C11 | 110.8° | 113.0° |
| C10 | C9 | H9C1 | 106.1° | 109.9° |
| C10 | C9 | H9C2 | 103.5° | 107.5° |
| C9 | C10 | H10 | 105.4° | 107.8° |
| C10 | O26 | C27 | 113.3° | 114.0° |
| O26 | C10 | C11 | 104.4° | 110.1° |
| O26 | C10 | H10 | 111.6° | 105.2° |
| O26 | C27 | H271 | 109.5° | 109.5° |
| O26 | C27 | H272 | 109.5° | 109.4° |
| O26 | C27 | H273 | 109.5° | 109.5° |
| C10 | C11 | O28 | 107.0° | 112.2° |
| C10 | C11 | C12 | 116.6° | 113.0° |
| C11 | C10 | H10 | 112.8° | 101.0° |
| C10 | C11 | H11 | 107.1° | 106.2° |
| C11 | O28 | C40 | 113.6° | 114.0° |
| O28 | C11 | C12 | 111.7° | 113.2° |
| O28 | C11 | H11 | 112.5° | 104.8° |
| O28 | C40 | H401 | 109.5° | 109.5° |
| O28 | C40 | H402 | 109.5° | 109.4° |
| O28 | C40 | H403 | 109.4° | 109.5° |
| C11 | C12 | C29 | 110.8° | 105.9° |
| C11 | C12 | C13 | 114.1° | 114.3° |
| C12 | C11 | H11 | 101.9° | 106.6° |
| C11 | C12 | H12 | 103.5° | 101.9° |
| C29 | C12 | C13 | 103.0° | 113.5° |
| C29 | C12 | H12 | 114.6° | 107.2° |
| C12 | C29 | H291 | 109.5° | 109.4° |
| C12 | C29 | H292 | 109.5° | 109.4° |
| C12 | C29 | H293 | 109.4° | 109.4° |
| C12 | C13 | C14 | 125.0° | 123.2° |
| C13 | C12 | H12 | 111.2° | 113.0° |
| C12 | C13 | H13 | 117.5° | 117.9° |
| C13 | C14 | C30 | 122.6° | 123.2° |
| C13 | C14 | C15 | 114.5° | 117.2° |
| C14 | C13 | H13 | 117.5° | 118.9° |
| C30 | C14 | C15 | 122.7° | 119.5° |
| C14 | C30 | H301 | 109.5° | 109.4° |
| C14 | C30 | H302 | 109.5° | 109.5° |
| C14 | C30 | H303 | 109.4° | 109.5° |
| C16 | C15 | C14 | 116.3° | 109.1° |
| C16 | C15 | O31 | 107.0° | 109.4° |
| C15 | C16 | H16 | 104.1° | 110.7° |
| C16 | C15 | H15 | 106.1° | 115.1° |
| C14 | C15 | O31 | 108.2° | 108.0° |
| C14 | C15 | H15 | 104.9° | 110.1° |
| C15 | O31 | C32 | 122.4° | 117.0° |
| O31 | C15 | H15 | 114.6° | 104.9° |
| O31 | C32 | O33 | 113.7° | 120.0° |
| O31 | C32 | N34 | 120.9° | 120.0° |
| O33 | C32 | N34 | 125.3° | 120.0° |
| C32 | N34 | H341 | 109.7° | 120.0° |
| C32 | N34 | H342 | 125.1° | 120.0° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H9C1 | C9 | H9C2 | 118.3° | 106.1° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.4° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H341 | N34 | H342 | 125.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C2 | C3 | C1 | 176.7° | 169.9° |
| O23 | C2 | C3 | C4 | 179.1° | 178.2° |
| O23 | C2 | C3 | N22 | 2.0° | 0.8° |
| O23 | C2 | C1 | C6 | 179.9° | 176.9° |
| O23 | C2 | C1 | C7 | 0.7° | 6.6° |
| C2 | C3 | C4 | N22 | 177.2° | 179.0° |
| C2 | C3 | C4 | C5 | 2.9° | 0.7° |
| C2 | C3 | N22 | C21 | 56.8° | 10.5° |
| C3 | C2 | C1 | C6 | 3.4° | 12.8° |
| C3 | C2 | C1 | C7 | 176.1° | 176.9° |
| C2 | C3 | C4 | H4C1 | 177.1° | 173.8° |
| C2 | C3 | N22 | H22 | 123.2° | 166.6° |
| C3 | C4 | C5 | H4C1 | 180.0° | 174.5° |
| C3 | C4 | C5 | O24 | 178.8° | 179.1° |
| C3 | C4 | C5 | C6 | 1.0° | 9.2° |
| C4 | C3 | N22 | C21 | 126.1° | 170.5° |
| C4 | C3 | C2 | C1 | 4.1° | 11.9° |
| C4 | C3 | N22 | H22 | 53.9° | 12.5° |
| C4 | C5 | O24 | C6 | 179.8° | 171.7° |
| C5 | C4 | C3 | N22 | 179.9° | 179.7° |
| C4 | C5 | C6 | C1 | 0.2° | 7.8° |
| C4 | C5 | C6 | H6C1 | 179.9° | 177.3° |
| O24 | C5 | C6 | C1 | 179.7° | 179.0° |
| O24 | C5 | C4 | H4C1 | 1.2° | 4.6° |
| O24 | C5 | C6 | H6C1 | 0.3° | 6.1° |
| C5 | C6 | C1 | C2 | 1.3° | 2.9° |
| C5 | C6 | C1 | H6C1 | 180.0° | 175.5° |
| C5 | C6 | C1 | C7 | 178.1° | 173.3° |
| C6 | C5 | C4 | H4C1 | 179.0° | 176.2° |
| C3 | N22 | C21 | H22 | 180.0° | 176.9° |
| C3 | N22 | C21 | O37 | 176.5° | 68.0° |
| C3 | N22 | C21 | C20 | 4.6° | 118.5° |
| N22 | C3 | C2 | C1 | 178.7° | 169.1° |
| N22 | C3 | C4 | H4C1 | 0.1° | 5.2° |
| N22 | C21 | O37 | C20 | 179.0° | 174.1° |
| N22 | C21 | C20 | C36 | 132.9° | 4.5° |
| N22 | C21 | C20 | C19 | 60.7° | 168.5° |
| O37 | C21 | C20 | C36 | 46.1° | 169.6° |
| O37 | C21 | C20 | C19 | 120.3° | 17.4° |
| O37 | C21 | N22 | H22 | 3.5° | 108.9° |
| C21 | C20 | C36 | C19 | 167.6° | 172.3° |
| C21 | C20 | C19 | C18 | 151.1° | 179.3° |
| C20 | C21 | N22 | H22 | 175.4° | 64.6° |
| C21 | C20 | C36 | H361 | 45.0° | 90.0° |
| C21 | C20 | C36 | H362 | 165.0° | 150.0° |
| C21 | C20 | C36 | H363 | 74.9° | 30.0° |
| C21 | C20 | C19 | H19 | 28.9° | 4.3° |
| C36 | C20 | C19 | C18 | 16.5° | 6.8° |
| C20 | C36 | H361 | H362 | 120.0° | 120.0° |
| C20 | C36 | H361 | H363 | 120.0° | 120.0° |
| C20 | C36 | H362 | H363 | 120.0° | 120.0° |
| C36 | C20 | C19 | H19 | 163.5° | 176.8° |
| C20 | C19 | C18 | H19 | 180.0° | 176.5° |
| C20 | C19 | C18 | C17 | 171.5° | 164.0° |
| C19 | C20 | C36 | H361 | 122.6° | 97.6° |
| C19 | C20 | C36 | H362 | 2.6° | 22.3° |
| C19 | C20 | C36 | H363 | 117.5° | 142.4° |
| C20 | C19 | C18 | H18 | 8.5° | 16.7° |
| C19 | C18 | C17 | H18 | 180.0° | 179.3° |
| C19 | C18 | C17 | C16 | 63.1° | 0.3° |
| C19 | C18 | C17 | H17 | 117.0° | 177.6° |
| C18 | C17 | C16 | H17 | 180.0° | 177.9° |
| C18 | C17 | C16 | C35 | 93.0° | 101.7° |
| C18 | C17 | C16 | C15 | 139.9° | 136.1° |
| C18 | C17 | C16 | H16 | 24.7° | 16.6° |
| C17 | C18 | C19 | H19 | 8.5° | 19.5° |
| C17 | C16 | C35 | C15 | 125.9° | 118.0° |
| C17 | C16 | C35 | H16 | 119.1° | 118.5° |
| C17 | C16 | C15 | H16 | 118.7° | 118.5° |
| C17 | C16 | C15 | C14 | 59.0° | 147.7° |
| C17 | C16 | C15 | O31 | 180.0° | 94.4° |
| C17 | C16 | C35 | H351 | 121.0° | 60.0° |
| C17 | C16 | C35 | H352 | 1.0° | 180.0° |
| C17 | C16 | C35 | H353 | 119.0° | 60.0° |
| C17 | C16 | C15 | H15 | 57.2° | 23.3° |
| C16 | C17 | C18 | H18 | 116.9° | 179.0° |
| C35 | C16 | C15 | H16 | 117.1° | 122.5° |
| C35 | C16 | C15 | C14 | 176.9° | 93.3° |
| C35 | C16 | C15 | O31 | 55.8° | 24.6° |
| C35 | C16 | C17 | H17 | 87.0° | 80.4° |
| C16 | C35 | H351 | H352 | 120.0° | 120.0° |
| C16 | C35 | H351 | H353 | 120.0° | 120.0° |
| C16 | C35 | H352 | H353 | 120.0° | 119.9° |
| C35 | C16 | C15 | H15 | 66.9° | 142.4° |
| C2 | C1 | C6 | C7 | 179.5° | 170.3° |
| C2 | C1 | C7 | O38 | 152.0° | 29.6° |
| C2 | C1 | C7 | C8 | 89.2° | 96.5° |
| C2 | C1 | C6 | H6C1 | 178.7° | 172.6° |
| C2 | C1 | C7 | H7 | 29.9° | 151.8° |
| C6 | C1 | C7 | O38 | 28.5° | 140.1° |
| C6 | C1 | C7 | C8 | 90.2° | 93.8° |
| C6 | C1 | C7 | H7 | 150.6° | 17.9° |
| C1 | C7 | O38 | C8 | 123.3° | 120.0° |
| C1 | C7 | O38 | H7 | 117.4° | 119.1° |
| C1 | C7 | O38 | C39 | 87.9° | 89.3° |
| C1 | C7 | C8 | H7 | 117.3° | 112.4° |
| C1 | C7 | C8 | C25 | 58.9° | 36.8° |
| C1 | C7 | C8 | C9 | 67.4° | 163.7° |
| C7 | C1 | C6 | H6C1 | 1.8° | 2.3° |
| C1 | C7 | C8 | H8 | 172.5° | 85.4° |
| O38 | C7 | C8 | H7 | 122.1° | 124.3° |
| O38 | C7 | C8 | C25 | 179.5° | 86.4° |
| O38 | C7 | C8 | C9 | 53.2° | 40.5° |
| O38 | C7 | C8 | H8 | 66.9° | 151.3° |
| C7 | O38 | C39 | H391 | 0.3° | 180.0° |
| C7 | O38 | C39 | H392 | 119.7° | 60.0° |
| C7 | O38 | C39 | H393 | 120.3° | 60.0° |
| C39 | O38 | C7 | C8 | 148.8° | 150.7° |
| C39 | O38 | C7 | H7 | 29.5° | 29.8° |
| O38 | C39 | H391 | H392 | 120.0° | 119.9° |
| O38 | C39 | H391 | H393 | 120.0° | 120.0° |
| O38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C7 | C8 | C25 | C9 | 126.5° | 124.3° |
| C7 | C8 | C25 | H8 | 113.3° | 121.4° |
| C7 | C8 | C9 | H8 | 114.5° | 114.5° |
| C7 | C8 | C9 | C10 | 169.7° | 85.8° |
| C7 | C8 | C25 | H251 | 134.8° | 60.0° |
| C7 | C8 | C25 | H252 | 105.2° | 180.0° |
| C7 | C8 | C25 | H253 | 14.8° | 60.0° |
| C7 | C8 | C9 | H9C1 | 49.6° | 38.7° |
| C7 | C8 | C9 | H9C2 | 75.6° | 155.6° |
| C25 | C8 | C9 | H8 | 114.9° | 118.5° |
| C25 | C8 | C9 | C10 | 39.0° | 41.2° |
| C25 | C8 | C7 | H7 | 58.4° | 149.3° |
| C8 | C25 | H251 | H252 | 120.0° | 120.0° |
| C8 | C25 | H251 | H253 | 120.0° | 120.1° |
| C8 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C8 | C9 | H9C1 | 81.0° | 165.8° |
| C25 | C8 | C9 | H9C2 | 153.8° | 77.4° |
| C8 | C9 | C10 | H9C1 | 120.0° | 125.8° |
| C8 | C9 | C10 | H9C2 | 114.8° | 119.1° |
| C8 | C9 | C10 | O26 | 66.2° | 26.2° |
| C8 | C9 | C10 | C11 | 177.6° | 104.2° |
| C9 | C8 | C7 | H7 | 175.3° | 83.8° |
| C9 | C8 | C25 | H251 | 8.3° | 64.2° |
| C9 | C8 | C25 | H252 | 128.3° | 55.7° |
| C9 | C8 | C25 | H253 | 111.7° | 175.7° |
| C8 | C9 | H9C1 | H9C2 | 115.6° | 118.1° |
| C8 | C9 | C10 | H10 | 55.3° | 145.1° |
| C9 | C10 | O26 | C11 | 120.0° | 131.7° |
| C9 | C10 | O26 | H10 | 117.9° | 120.3° |
| C9 | C10 | O26 | C27 | 149.5° | 118.1° |
| C9 | C10 | C11 | H10 | 117.9° | 114.9° |
| C9 | C10 | C11 | O28 | 55.0° | 42.6° |
| C9 | C10 | C11 | C12 | 70.8° | 172.1° |
| C10 | C9 | C8 | H8 | 75.8° | 159.7° |
| C10 | C9 | H9C1 | H9C2 | 115.6° | 115.9° |
| C9 | C10 | C11 | H11 | 175.9° | 71.3° |
| O26 | C10 | C11 | H10 | 121.4° | 110.8° |
| O26 | C10 | C11 | O28 | 65.7° | 176.8° |
| O26 | C10 | C11 | C12 | 168.4° | 53.7° |
| O26 | C10 | C9 | H9C1 | 173.7° | 99.6° |
| O26 | C10 | C9 | H9C2 | 48.5° | 145.3° |
| O26 | C10 | C11 | H11 | 55.2° | 62.9° |
| C10 | O26 | C27 | H271 | 33.2° | 65.3° |
| C10 | O26 | C27 | H272 | 86.8° | 174.7° |
| C10 | O26 | C27 | H273 | 153.2° | 54.7° |
| C27 | O26 | C10 | C11 | 90.5° | 110.2° |
| C27 | O26 | C10 | H10 | 31.7° | 2.2° |
| O26 | C27 | H271 | H272 | 120.0° | 120.0° |
| O26 | C27 | H271 | H273 | 120.0° | 120.0° |
| O26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C10 | C11 | O28 | C12 | 128.8° | 129.4° |
| C10 | C11 | O28 | H11 | 117.3° | 114.8° |
| C10 | C11 | O28 | C40 | 116.8° | 121.0° |
| C10 | C11 | C12 | H11 | 116.2° | 116.3° |
| C10 | C11 | C12 | C29 | 172.5° | 134.7° |
| C10 | C11 | C12 | C13 | 56.9° | 99.6° |
| C11 | C10 | C9 | H9C1 | 57.6° | 130.0° |
| C11 | C10 | C9 | H9C2 | 67.7° | 14.9° |
| C10 | C11 | C12 | H12 | 64.2° | 22.6° |
| O28 | C11 | C12 | H11 | 120.4° | 114.7° |
| O28 | C11 | C12 | C29 | 64.0° | 5.7° |
| O28 | C11 | C12 | C13 | 179.6° | 131.4° |
| O28 | C11 | C10 | H10 | 172.9° | 72.3° |
| O28 | C11 | C12 | H12 | 59.3° | 106.3° |
| C11 | O28 | C40 | H401 | 48.3° | 57.2° |
| C11 | O28 | C40 | H402 | 71.7° | 62.7° |
| C11 | O28 | C40 | H403 | 168.3° | 177.2° |
| C40 | O28 | C11 | C12 | 114.5° | 109.6° |
| C40 | O28 | C11 | H11 | 0.6° | 6.2° |
| O28 | C40 | H401 | H402 | 120.0° | 119.9° |
| O28 | C40 | H401 | H403 | 120.0° | 120.1° |
| O28 | C40 | H402 | H403 | 120.0° | 120.0° |
| C11 | C12 | C29 | C13 | 122.4° | 126.2° |
| C11 | C12 | C29 | H12 | 116.7° | 108.2° |
| C11 | C12 | C13 | H12 | 116.7° | 116.0° |
| C11 | C12 | C13 | C14 | 133.4° | 149.4° |
| C12 | C11 | C10 | H10 | 47.0° | 57.1° |
| C11 | C12 | C29 | H291 | 61.8° | 59.3° |
| C11 | C12 | C29 | H292 | 58.2° | 179.3° |
| C11 | C12 | C29 | H293 | 178.3° | 60.6° |
| C11 | C12 | C13 | H13 | 46.6° | 28.2° |
| C29 | C12 | C13 | H12 | 123.2° | 122.4° |
| C29 | C12 | C13 | C14 | 106.5° | 89.0° |
| C29 | C12 | C11 | H11 | 56.3° | 109.0° |
| C12 | C29 | H291 | H292 | 120.0° | 120.0° |
| C12 | C29 | H291 | H293 | 119.9° | 119.9° |
| C12 | C29 | H292 | H293 | 120.0° | 120.0° |
| C29 | C12 | C13 | H13 | 73.5° | 93.5° |
| C12 | C13 | C14 | H13 | 180.0° | 177.5° |
| C12 | C13 | C14 | C30 | 1.1° | 0.4° |
| C12 | C13 | C14 | C15 | 177.0° | 178.4° |
| C13 | C12 | C11 | H11 | 59.3° | 16.7° |
| C13 | C12 | C29 | H291 | 175.8° | 66.9° |
| C13 | C12 | C29 | H292 | 64.2° | 53.1° |
| C13 | C12 | C29 | H293 | 55.9° | 173.1° |
| C13 | C14 | C30 | C15 | 175.6° | 178.0° |
| C13 | C14 | C15 | C16 | 117.9° | 104.9° |
| C13 | C14 | C15 | O31 | 121.6° | 136.4° |
| C13 | C14 | C15 | H15 | 1.1° | 22.4° |
| C14 | C13 | C12 | H12 | 16.7° | 33.4° |
| C13 | C14 | C30 | H301 | 17.9° | 0.1° |
| C13 | C14 | C30 | H302 | 137.9° | 120.0° |
| C13 | C14 | C30 | H303 | 102.1° | 120.0° |
| C30 | C14 | C15 | C16 | 66.1° | 77.0° |
| C30 | C14 | C15 | O31 | 54.3° | 41.7° |
| C30 | C14 | C15 | H15 | 177.0° | 155.7° |
| C30 | C14 | C13 | H13 | 179.0° | 177.9° |
| C14 | C30 | H301 | H302 | 120.0° | 120.0° |
| C14 | C30 | H301 | H303 | 120.0° | 120.0° |
| C14 | C30 | H302 | H303 | 120.0° | 120.0° |
| C16 | C15 | C14 | O31 | 120.4° | 118.8° |
| C16 | C15 | C14 | H15 | 116.8° | 127.3° |
| C16 | C15 | O31 | H15 | 117.3° | 124.0° |
| C16 | C15 | O31 | C32 | 152.9° | 150.0° |
| C15 | C16 | C17 | H17 | 40.1° | 41.8° |
| C15 | C16 | C35 | H351 | 5.0° | 177.9° |
| C15 | C16 | C35 | H352 | 124.9° | 62.0° |
| C15 | C16 | C35 | H353 | 115.0° | 57.9° |
| C14 | C15 | O31 | H15 | 116.6° | 117.4° |
| C14 | C15 | O31 | C32 | 81.0° | 91.4° |
| C14 | C15 | C16 | H16 | 59.7° | 29.2° |
| C15 | C14 | C13 | H13 | 3.0° | 4.1° |
| C15 | C14 | C30 | H301 | 157.7° | 177.9° |
| C15 | C14 | C30 | H302 | 37.7° | 58.0° |
| C15 | C14 | C30 | H303 | 82.3° | 62.0° |
| C15 | O31 | C32 | O33 | 179.5° | 0.0° |
| C15 | O31 | C32 | N34 | 1.5° | 180.0° |
| O31 | C15 | C16 | H16 | 61.3° | 147.1° |
| O31 | C32 | O33 | N34 | 178.0° | 180.0° |
| C32 | O31 | C15 | H15 | 35.6° | 26.0° |
| O31 | C32 | N34 | H341 | 1.0° | 0.0° |
| O31 | C32 | N34 | H342 | 179.0° | 180.0° |
| O33 | C32 | N34 | H341 | 178.8° | 180.0° |
| O33 | C32 | N34 | H342 | 1.2° | 0.0° |
| C32 | N34 | H341 | H342 | 179.9° | 180.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.1° |
| H17 | C17 | C16 | H16 | 155.3° | 161.3° |
| H17 | C17 | C18 | H18 | 63.1° | 3.1° |
| H16 | C16 | C35 | H351 | 119.9° | 58.5° |
| H16 | C16 | C35 | H352 | 120.1° | 61.5° |
| H16 | C16 | C35 | H353 | 0.0° | 178.5° |
| H16 | C16 | C15 | H15 | 175.9° | 95.1° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 55.2° | 27.0° |
| H8 | C8 | C25 | H251 | 111.9° | 178.6° |
| H8 | C8 | C25 | H252 | 8.1° | 58.6° |
| H8 | C8 | C25 | H253 | 128.1° | 61.4° |
| H8 | C8 | C9 | H9C1 | 164.1° | 75.7° |
| H8 | C8 | C9 | H9C2 | 38.9° | 41.1° |
| H391 | C39 | H392 | H393 | 120.0° | 120.1° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H9C1 | C9 | C10 | H10 | 64.7° | 19.3° |
| H9C2 | C9 | C10 | H10 | 170.1° | 95.9° |
| H10 | C10 | C11 | H11 | 66.2° | 173.7° |
| H11 | C11 | C12 | H12 | 179.7° | 139.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H12 | C12 | C29 | H291 | 54.9° | 167.6° |
| H12 | C12 | C29 | H292 | 174.9° | 72.4° |
| H12 | C12 | C29 | H293 | 65.1° | 47.6° |
| H12 | C12 | C13 | H13 | 163.3° | 144.1° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 171.4° | 159.8° |
