C41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.41Å | |
| O2 | C3 | sing | 1.43Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O6 | sing | 1.43Å | 1.43Å | |
| O6 | C7 | sing | 1.36Å | 1.41Å | |
| C7 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.42Å | |
| O13 | C14 | sing | 1.43Å | 1.44Å | |
| C9 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C16 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.48Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C30 | sing | 1.51Å | 1.53Å | |
| C30 | O31 | doub | 1.21Å | 1.24Å | |
| C30 | N32 | sing | 1.35Å | 1.33Å | |
| N32 | C33 | sing | 1.46Å | 1.46Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | C37 | sing | 1.51Å | 1.42Å | |
| C37 | O38 | doub | 1.21Å | 1.23Å | |
| C37 | N39 | sing | 1.35Å | 1.33Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N22 | H221 | sing | 1.01Å | 1.00Å | |
| N22 | H222 | sing | 1.01Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | 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 | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| N39 | H392 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 108.8° | 114.0° |
| O2 | C1 | H1C1 | 109.5° | 109.5° |
| O2 | C1 | H1C2 | 109.5° | 109.5° |
| O2 | C1 | H1C3 | 109.5° | 109.5° |
| O2 | C3 | C4 | 111.2° | 109.4° |
| O2 | C3 | H3C1 | 108.9° | 109.4° |
| O2 | C3 | H3C2 | 108.6° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C4 | C3 | H3C1 | 108.9° | 109.5° |
| C4 | C3 | H3C2 | 108.5° | 109.5° |
| C3 | C4 | H4C1 | 108.9° | 109.5° |
| C3 | C4 | H4C2 | 108.5° | 109.5° |
| C4 | C5 | O6 | 112.1° | 109.5° |
| C5 | C4 | H4C1 | 108.9° | 109.4° |
| C5 | C4 | H4C2 | 108.6° | 109.4° |
| C4 | C5 | H5C1 | 108.6° | 109.4° |
| C4 | C5 | H5C2 | 108.0° | 109.5° |
| C5 | O6 | C7 | 119.7° | 117.0° |
| O6 | C5 | H5C1 | 108.6° | 109.5° |
| O6 | C5 | H5C2 | 108.0° | 109.5° |
| O6 | C7 | C8 | 123.9° | 120.1° |
| O6 | C7 | C12 | 115.0° | 120.0° |
| C7 | C8 | C9 | 118.5° | 120.0° |
| C8 | C7 | C12 | 121.1° | 119.9° |
| C7 | C8 | H8 | 120.7° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.2° |
| C8 | C9 | C15 | 120.2° | 119.9° |
| C9 | C8 | H8 | 120.7° | 120.0° |
| C9 | C10 | C11 | 121.2° | 120.1° |
| C10 | C9 | C15 | 119.4° | 119.9° |
| C9 | C10 | H10 | 119.4° | 120.0° |
| C10 | C11 | C12 | 117.8° | 120.1° |
| C11 | C10 | H10 | 119.4° | 119.9° |
| C10 | C11 | H11 | 121.1° | 120.0° |
| C7 | C12 | C11 | 120.9° | 119.8° |
| C7 | C12 | O13 | 114.9° | 120.1° |
| C11 | C12 | O13 | 124.1° | 120.1° |
| C12 | C11 | H11 | 121.1° | 120.0° |
| C12 | O13 | C14 | 120.2° | 117.0° |
| O13 | C14 | H141 | 109.5° | 109.4° |
| O13 | C14 | H142 | 109.5° | 109.5° |
| O13 | C14 | H143 | 109.4° | 109.5° |
| C9 | C15 | C16 | 113.0° | 109.5° |
| C9 | C15 | H151 | 108.3° | 109.5° |
| C9 | C15 | H152 | 107.5° | 109.5° |
| C15 | C16 | C17 | 111.1° | 109.5° |
| C15 | C16 | C20 | 108.3° | 109.5° |
| C16 | C15 | H151 | 108.3° | 109.5° |
| C16 | C15 | H152 | 107.5° | 109.5° |
| C15 | C16 | H16 | 109.8° | 109.4° |
| C16 | C17 | C18 | 111.1° | 109.5° |
| C16 | C17 | C19 | 111.3° | 109.5° |
| C17 | C16 | C20 | 111.2° | 109.5° |
| C17 | C16 | H16 | 106.8° | 109.5° |
| C16 | C17 | H17 | 108.0° | 109.5° |
| C18 | C17 | C19 | 112.0° | 109.4° |
| C18 | C17 | H17 | 107.2° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C19 | C17 | H17 | 107.0° | 109.5° |
| C17 | C19 | H191 | 109.5° | 109.4° |
| C17 | C19 | H192 | 109.5° | 109.5° |
| C17 | C19 | H193 | 109.5° | 109.5° |
| C16 | C20 | C21 | 115.0° | 109.4° |
| C20 | C16 | H16 | 109.6° | 109.5° |
| C16 | C20 | H201 | 107.7° | 109.5° |
| C16 | C20 | H202 | 106.4° | 109.4° |
| C20 | C21 | N22 | 108.7° | 109.5° |
| C20 | C21 | C23 | 110.5° | 109.4° |
| C21 | C20 | H201 | 107.7° | 109.5° |
| C21 | C20 | H202 | 106.4° | 109.5° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| N22 | C21 | C23 | 109.7° | 109.5° |
| N22 | C21 | H21 | 110.2° | 109.5° |
| C21 | N22 | H221 | 109.5° | 111.0° |
| C21 | N22 | H222 | 109.5° | 111.0° |
| C21 | C23 | O24 | 108.5° | 109.5° |
| C21 | C23 | C25 | 111.7° | 109.5° |
| C23 | C21 | H21 | 108.4° | 109.5° |
| C21 | C23 | H23 | 108.1° | 109.5° |
| O24 | C23 | C25 | 107.9° | 109.5° |
| O24 | C23 | H23 | 111.9° | 109.5° |
| C23 | O24 | H24 | 109.5° | 114.0° |
| C23 | C25 | C26 | 114.1° | 109.4° |
| C25 | C23 | H23 | 108.7° | 109.5° |
| C23 | C25 | H251 | 108.0° | 109.5° |
| C23 | C25 | H252 | 106.9° | 109.5° |
| C25 | C26 | C27 | 112.5° | 109.5° |
| C25 | C26 | C30 | 109.1° | 109.4° |
| C26 | C25 | H251 | 108.0° | 109.5° |
| C26 | C25 | H252 | 106.9° | 109.5° |
| C25 | C26 | H26 | 107.9° | 109.5° |
| C26 | C27 | C28 | 110.9° | 109.5° |
| C26 | C27 | C29 | 111.2° | 109.5° |
| C27 | C26 | C30 | 110.2° | 109.5° |
| C27 | C26 | H26 | 106.7° | 109.5° |
| C26 | C27 | H27 | 107.4° | 109.5° |
| C28 | C27 | C29 | 109.9° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.4° |
| C29 | C27 | H27 | 108.5° | 109.5° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.4° | 109.4° |
| C27 | C29 | H293 | 109.5° | 109.5° |
| C26 | C30 | O31 | 121.2° | 120.0° |
| C26 | C30 | N32 | 115.5° | 120.0° |
| C30 | C26 | H26 | 110.3° | 109.4° |
| O31 | C30 | N32 | 123.3° | 120.0° |
| C30 | N32 | C33 | 124.2° | 120.0° |
| C30 | N32 | H32 | 117.9° | 120.0° |
| N32 | C33 | C34 | 114.4° | 109.5° |
| C33 | N32 | H32 | 117.9° | 120.0° |
| N32 | C33 | H331 | 107.8° | 109.5° |
| N32 | C33 | H332 | 106.8° | 109.5° |
| C33 | C34 | C35 | 111.4° | 109.5° |
| C33 | C34 | C36 | 107.3° | 109.5° |
| C33 | C34 | C37 | 107.6° | 109.5° |
| C34 | C33 | H331 | 107.9° | 109.4° |
| C34 | C33 | H332 | 106.7° | 109.4° |
| C35 | C34 | C36 | 108.8° | 109.4° |
| C35 | C34 | C37 | 113.0° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.4° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C36 | C34 | C37 | 108.5° | 109.5° |
| C34 | C36 | H361 | 109.5° | 109.5° |
| C34 | C36 | H362 | 109.5° | 109.5° |
| C34 | C36 | H363 | 109.5° | 109.5° |
| C34 | C37 | O38 | 118.9° | 120.0° |
| C34 | C37 | N39 | 118.8° | 120.0° |
| O38 | C37 | N39 | 122.1° | 120.0° |
| C37 | N39 | H391 | 110.7° | 120.1° |
| C37 | N39 | H392 | 124.6° | 120.0° |
| H1C1 | C1 | H1C2 | 109.4° | 109.5° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| H3C1 | C3 | H3C2 | 110.8° | 109.5° |
| H4C1 | C4 | H4C2 | 110.8° | 109.5° |
| H5C1 | C5 | H5C2 | 111.5° | 109.5° |
| H151 | C15 | H152 | 112.3° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H201 | C20 | H202 | 113.9° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.4° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.6° |
| H221 | N22 | H222 | 109.4° | 110.9° |
| H251 | C25 | H252 | 113.1° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.4° |
| H331 | C33 | H332 | 113.4° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.4° |
| H361 | C36 | H363 | 109.4° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H391 | N39 | H392 | 124.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C4 | 136.7° | 180.0° |
| O2 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| O2 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O2 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | O2 | C3 | H3C1 | 103.3° | 60.0° |
| C1 | O2 | C3 | H3C2 | 17.4° | 60.0° |
| O2 | C3 | C4 | H3C1 | 120.0° | 120.0° |
| O2 | C3 | C4 | H3C2 | 119.3° | 120.0° |
| O2 | C3 | C4 | C5 | 51.6° | 180.0° |
| C3 | O2 | C1 | H1C1 | 53.7° | 60.0° |
| C3 | O2 | C1 | H1C2 | 173.6° | 60.0° |
| C3 | O2 | C1 | H1C3 | 66.4° | 180.0° |
| O2 | C3 | H3C1 | H3C2 | 119.3° | 120.0° |
| O2 | C3 | C4 | H4C1 | 68.4° | 60.0° |
| O2 | C3 | C4 | H4C2 | 170.9° | 60.0° |
| C3 | C4 | C5 | H4C1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4C2 | 119.3° | 120.0° |
| C3 | C4 | C5 | O6 | 174.8° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 119.3° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 119.3° | 120.1° |
| C3 | C4 | C5 | H5C1 | 65.2° | 60.0° |
| C3 | C4 | C5 | H5C2 | 55.9° | 60.0° |
| C4 | C5 | O6 | H5C1 | 120.0° | 120.0° |
| C4 | C5 | O6 | H5C2 | 118.9° | 120.0° |
| C4 | C5 | O6 | C7 | 75.0° | 180.0° |
| C5 | C4 | C3 | H3C1 | 171.6° | 60.0° |
| C5 | C4 | C3 | H3C2 | 67.7° | 60.0° |
| C5 | C4 | H4C1 | H4C2 | 119.3° | 119.9° |
| C4 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| C5 | O6 | C7 | C8 | 15.7° | 0.0° |
| C5 | O6 | C7 | C12 | 163.2° | 179.7° |
| O6 | C5 | C4 | H4C1 | 54.8° | 60.0° |
| O6 | C5 | C4 | H4C2 | 65.9° | 60.0° |
| O6 | C5 | H5C1 | H5C2 | 118.9° | 120.0° |
| O6 | C7 | C8 | C12 | 178.7° | 179.7° |
| O6 | C7 | C8 | C9 | 178.2° | 180.0° |
| O6 | C7 | C12 | C11 | 178.3° | 179.7° |
| O6 | C7 | C12 | O13 | 2.9° | 0.1° |
| C7 | O6 | C5 | H5C1 | 45.0° | 60.0° |
| C7 | O6 | C5 | H5C2 | 166.1° | 60.0° |
| O6 | C7 | C8 | H8 | 1.8° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C8 | C7 | C12 | C11 | 0.6° | 0.6° |
| C8 | C7 | C12 | O13 | 178.3° | 179.7° |
| C7 | C8 | C9 | C15 | 179.6° | 180.0° |
| C8 | C9 | C10 | C15 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C9 | C8 | C7 | C12 | 0.5° | 0.3° |
| C8 | C9 | C15 | C16 | 56.8° | 118.6° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C8 | C9 | C15 | H151 | 63.2° | 121.4° |
| C8 | C9 | C15 | H152 | 175.2° | 1.4° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.3° |
| C10 | C9 | C15 | C16 | 123.0° | 61.4° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| C10 | C9 | C15 | H151 | 117.0° | 58.6° |
| C10 | C9 | C15 | H152 | 4.5° | 178.6° |
| C9 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C11 | C12 | C7 | 0.2° | 0.6° |
| C10 | C11 | C12 | H11 | 180.0° | 179.7° |
| C10 | C11 | C12 | O13 | 178.5° | 179.7° |
| C11 | C10 | C9 | C15 | 180.0° | 180.0° |
| C7 | C12 | C11 | O13 | 178.7° | 179.7° |
| C7 | C12 | O13 | C14 | 178.6° | 180.0° |
| C12 | C7 | C8 | H8 | 179.5° | 179.7° |
| C7 | C12 | C11 | H11 | 179.8° | 179.7° |
| C11 | C12 | O13 | C14 | 2.6° | 0.3° |
| C12 | C11 | C10 | H10 | 179.9° | 179.8° |
| O13 | C12 | C11 | H11 | 1.5° | 0.0° |
| C12 | O13 | C14 | H141 | 117.8° | 60.0° |
| C12 | O13 | C14 | H142 | 122.2° | 60.0° |
| C12 | O13 | C14 | H143 | 2.1° | 180.0° |
| O13 | C14 | H141 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H143 | 120.0° | 120.0° |
| O13 | C14 | H142 | H143 | 120.0° | 120.1° |
| C9 | C15 | C16 | H151 | 120.0° | 120.0° |
| C9 | C15 | C16 | H152 | 118.4° | 120.0° |
| C9 | C15 | C16 | C17 | 53.4° | 75.8° |
| C9 | C15 | C16 | C20 | 175.8° | 164.2° |
| C15 | C9 | C8 | H8 | 0.4° | 0.0° |
| C15 | C9 | C10 | H10 | 0.0° | 0.0° |
| C9 | C15 | H151 | H152 | 118.5° | 120.0° |
| C9 | C15 | C16 | H16 | 64.5° | 44.2° |
| C15 | C16 | C17 | C20 | 120.8° | 120.0° |
| C15 | C16 | C17 | H16 | 119.7° | 120.0° |
| C15 | C16 | C17 | C18 | 172.1° | 53.3° |
| C15 | C16 | C17 | C19 | 62.3° | 66.7° |
| C15 | C16 | C20 | H16 | 119.8° | 120.0° |
| C15 | C16 | C20 | C21 | 70.0° | 172.7° |
| C16 | C15 | H151 | H152 | 118.6° | 120.0° |
| C15 | C16 | C17 | H17 | 54.8° | 173.3° |
| C15 | C16 | C20 | H201 | 50.0° | 52.7° |
| C15 | C16 | C20 | H202 | 172.5° | 67.4° |
| C16 | C17 | C18 | C19 | 125.2° | 120.0° |
| C16 | C17 | C18 | H17 | 117.8° | 120.0° |
| C16 | C17 | C19 | H17 | 117.7° | 120.1° |
| C17 | C16 | C20 | H16 | 117.9° | 120.0° |
| C17 | C16 | C20 | C21 | 167.6° | 67.3° |
| C17 | C16 | C15 | H151 | 173.3° | 164.2° |
| C17 | C16 | C15 | H152 | 65.1° | 44.2° |
| C17 | C16 | C20 | H201 | 72.4° | 172.7° |
| C17 | C16 | C20 | H202 | 50.1° | 52.7° |
| C16 | C17 | C18 | H181 | 150.3° | 61.0° |
| C16 | C17 | C18 | H182 | 89.7° | 179.1° |
| C16 | C17 | C18 | H183 | 30.3° | 59.0° |
| C16 | C17 | C19 | H191 | 64.5° | 61.6° |
| C16 | C17 | C19 | H192 | 175.5° | 178.4° |
| C16 | C17 | C19 | H193 | 55.5° | 58.3° |
| C18 | C17 | C19 | H17 | 117.2° | 119.9° |
| C18 | C17 | C16 | C20 | 67.1° | 66.7° |
| C18 | C17 | C16 | H16 | 52.4° | 173.3° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.1° |
| C18 | C17 | C19 | H191 | 170.4° | 178.4° |
| C18 | C17 | C19 | H192 | 50.4° | 58.4° |
| C18 | C17 | C19 | H193 | 69.6° | 61.7° |
| C19 | C17 | C16 | C20 | 58.4° | 173.3° |
| C19 | C17 | C16 | H16 | 178.0° | 53.3° |
| C19 | C17 | C18 | H181 | 25.1° | 59.0° |
| C19 | C17 | C18 | H182 | 145.1° | 60.9° |
| C19 | C17 | C18 | H183 | 94.9° | 179.0° |
| C17 | C19 | H191 | H192 | 120.0° | 120.0° |
| C17 | C19 | H191 | H193 | 120.0° | 120.0° |
| C17 | C19 | H192 | H193 | 120.0° | 120.1° |
| C16 | C20 | C21 | H201 | 120.0° | 120.0° |
| C16 | C20 | C21 | H202 | 117.5° | 120.0° |
| C16 | C20 | C21 | N22 | 62.2° | 66.1° |
| C16 | C20 | C21 | C23 | 177.4° | 174.0° |
| C20 | C16 | C15 | H151 | 64.2° | 44.2° |
| C20 | C16 | C15 | H152 | 57.4° | 75.8° |
| C20 | C16 | C17 | H17 | 175.6° | 53.3° |
| C16 | C20 | H201 | H202 | 117.7° | 120.0° |
| C16 | C20 | C21 | H21 | 58.2° | 54.0° |
| C20 | C21 | N22 | C23 | 120.9° | 120.0° |
| C20 | C21 | N22 | H21 | 119.8° | 120.0° |
| C20 | C21 | C23 | H21 | 119.8° | 120.0° |
| C20 | C21 | C23 | O24 | 75.2° | 60.0° |
| C20 | C21 | C23 | C25 | 166.0° | 180.0° |
| C21 | C20 | C16 | H16 | 49.8° | 52.7° |
| C21 | C20 | H201 | H202 | 117.7° | 120.1° |
| C20 | C21 | N22 | H221 | 60.9° | 179.7° |
| C20 | C21 | N22 | H222 | 59.1° | 55.8° |
| C20 | C21 | C23 | H23 | 46.4° | 60.0° |
| N22 | C21 | C23 | H21 | 120.3° | 120.0° |
| N22 | C21 | C23 | O24 | 44.7° | 60.0° |
| N22 | C21 | C23 | C25 | 74.1° | 60.0° |
| N22 | C21 | C20 | H201 | 177.9° | 174.0° |
| N22 | C21 | C20 | H202 | 55.4° | 53.9° |
| C21 | N22 | H221 | H222 | 120.0° | 124.0° |
| N22 | C21 | C23 | H23 | 166.3° | 180.0° |
| C21 | C23 | O24 | C25 | 121.2° | 120.0° |
| C21 | C23 | O24 | H23 | 119.2° | 120.0° |
| C21 | C23 | C25 | H23 | 119.2° | 120.0° |
| C21 | C23 | C25 | C26 | 175.8° | 171.3° |
| C23 | C21 | C20 | H201 | 57.4° | 54.0° |
| C23 | C21 | C20 | H202 | 65.1° | 66.1° |
| C23 | C21 | N22 | H221 | 60.0° | 59.7° |
| C23 | C21 | N22 | H222 | 180.0° | 64.2° |
| C21 | C23 | O24 | H24 | 95.6° | 64.7° |
| C21 | C23 | C25 | H251 | 55.8° | 68.7° |
| C21 | C23 | C25 | H252 | 66.2° | 51.3° |
| O24 | C23 | C25 | H23 | 121.6° | 120.0° |
| O24 | C23 | C25 | C26 | 56.6° | 68.7° |
| O24 | C23 | C21 | H21 | 165.0° | 180.0° |
| O24 | C23 | C25 | H251 | 63.4° | 51.3° |
| O24 | C23 | C25 | H252 | 174.6° | 171.3° |
| C23 | C25 | C26 | H251 | 120.0° | 120.0° |
| C23 | C25 | C26 | H252 | 118.0° | 120.0° |
| C23 | C25 | C26 | C27 | 173.0° | 66.1° |
| C23 | C25 | C26 | C30 | 50.3° | 173.9° |
| C25 | C23 | C21 | H21 | 46.2° | 60.0° |
| C25 | C23 | O24 | H24 | 143.2° | 55.3° |
| C23 | C25 | H251 | H252 | 118.1° | 120.0° |
| C23 | C25 | C26 | H26 | 69.6° | 53.9° |
| C25 | C26 | C27 | C30 | 122.0° | 120.0° |
| C25 | C26 | C27 | H26 | 118.2° | 120.0° |
| C25 | C26 | C27 | C28 | 177.5° | 59.3° |
| C25 | C26 | C27 | C29 | 54.9° | 179.3° |
| C25 | C26 | C30 | H26 | 118.4° | 120.0° |
| C25 | C26 | C30 | O31 | 60.5° | 14.0° |
| C25 | C26 | C30 | N32 | 117.2° | 166.1° |
| C26 | C25 | C23 | H23 | 65.0° | 51.3° |
| C26 | C25 | H251 | H252 | 118.1° | 120.0° |
| C25 | C26 | C27 | H27 | 63.7° | 60.7° |
| C26 | C27 | C28 | C29 | 123.4° | 120.0° |
| C26 | C27 | C28 | H27 | 118.0° | 120.0° |
| C26 | C27 | C29 | H27 | 117.9° | 120.0° |
| C27 | C26 | C30 | H26 | 117.6° | 120.0° |
| C27 | C26 | C30 | O31 | 63.5° | 106.1° |
| C27 | C26 | C30 | N32 | 118.8° | 73.8° |
| C27 | C26 | C25 | H251 | 67.0° | 53.9° |
| C27 | C26 | C25 | H252 | 55.0° | 173.9° |
| C26 | C27 | C28 | H281 | 148.3° | 54.5° |
| C26 | C27 | C28 | H282 | 28.3° | 174.6° |
| C26 | C27 | C28 | H283 | 91.6° | 65.4° |
| C26 | C27 | C29 | H291 | 70.3° | 51.0° |
| C26 | C27 | C29 | H292 | 49.7° | 171.0° |
| C26 | C27 | C29 | H293 | 169.7° | 69.1° |
| C28 | C27 | C29 | H27 | 118.9° | 120.0° |
| C28 | C27 | C26 | C30 | 60.5° | 60.7° |
| C28 | C27 | C26 | H26 | 59.3° | 179.4° |
| C27 | C28 | H281 | H282 | 120.0° | 120.1° |
| C27 | C28 | H281 | H283 | 120.0° | 119.9° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H291 | 52.9° | 171.0° |
| C28 | C27 | C29 | H292 | 172.9° | 69.0° |
| C28 | C27 | C29 | H293 | 67.2° | 50.9° |
| C29 | C27 | C26 | C30 | 176.9° | 59.3° |
| C29 | C27 | C26 | H26 | 63.3° | 60.7° |
| C29 | C27 | C28 | H281 | 88.3° | 65.5° |
| C29 | C27 | C28 | H282 | 151.7° | 54.6° |
| C29 | C27 | C28 | H283 | 31.7° | 174.6° |
| C27 | C29 | H291 | H292 | 120.0° | 119.9° |
| C27 | C29 | H291 | H293 | 120.0° | 120.1° |
| C27 | C29 | H292 | H293 | 120.0° | 120.0° |
| C26 | C30 | O31 | N32 | 177.5° | 179.9° |
| C26 | C30 | N32 | C33 | 177.5° | 176.9° |
| C30 | C26 | C25 | H251 | 170.3° | 66.2° |
| C30 | C26 | C25 | H252 | 67.7° | 53.8° |
| C30 | C26 | C27 | H27 | 58.3° | 179.3° |
| C26 | C30 | N32 | H32 | 2.5° | 3.1° |
| O31 | C30 | N32 | C33 | 0.1° | 3.0° |
| O31 | C30 | C26 | H26 | 178.8° | 134.0° |
| O31 | C30 | N32 | H32 | 179.9° | 177.0° |
| C30 | N32 | C33 | H32 | 180.0° | 180.0° |
| C30 | N32 | C33 | C34 | 118.2° | 180.0° |
| N32 | C30 | C26 | H26 | 1.2° | 46.1° |
| C30 | N32 | C33 | H331 | 1.8° | 60.1° |
| C30 | N32 | C33 | H332 | 124.0° | 60.0° |
| N32 | C33 | C34 | H331 | 120.0° | 120.0° |
| N32 | C33 | C34 | H332 | 117.8° | 120.0° |
| N32 | C33 | C34 | C35 | 58.7° | 60.0° |
| N32 | C33 | C34 | C36 | 177.7° | 60.0° |
| N32 | C33 | C34 | C37 | 65.7° | 180.0° |
| N32 | C33 | H331 | H332 | 118.0° | 120.1° |
| C33 | C34 | C35 | C36 | 118.0° | 120.0° |
| C33 | C34 | C35 | C37 | 121.4° | 120.0° |
| C33 | C34 | C36 | C37 | 116.0° | 120.0° |
| C33 | C34 | C37 | O38 | 115.9° | 0.0° |
| C33 | C34 | C37 | N39 | 59.3° | 180.0° |
| C34 | C33 | N32 | H32 | 61.8° | 0.0° |
| C34 | C33 | H331 | H332 | 118.0° | 120.0° |
| C33 | C34 | C35 | H351 | 106.2° | 60.0° |
| C33 | C34 | C35 | H352 | 13.8° | 180.0° |
| C33 | C34 | C35 | H353 | 133.8° | 60.0° |
| C33 | C34 | C36 | H361 | 54.5° | 60.0° |
| C33 | C34 | C36 | H362 | 65.5° | 180.0° |
| C33 | C34 | C36 | H363 | 174.5° | 60.0° |
| C35 | C34 | C36 | C37 | 123.3° | 120.0° |
| C35 | C34 | C37 | O38 | 7.6° | 120.0° |
| C35 | C34 | C37 | N39 | 177.2° | 59.9° |
| C35 | C34 | C33 | H331 | 178.7° | 180.0° |
| C35 | C34 | C33 | H332 | 59.1° | 60.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 119.9° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C34 | C36 | H361 | 175.1° | 180.0° |
| C35 | C34 | C36 | H362 | 55.2° | 60.0° |
| C35 | C34 | C36 | H363 | 64.9° | 60.0° |
| C36 | C34 | C37 | O38 | 128.3° | 120.0° |
| C36 | C34 | C37 | N39 | 56.5° | 60.0° |
| C36 | C34 | C33 | H331 | 62.3° | 60.0° |
| C36 | C34 | C33 | H332 | 59.8° | 180.0° |
| C36 | C34 | C35 | H351 | 11.9° | 60.0° |
| C36 | C34 | C35 | H352 | 131.9° | 60.0° |
| C36 | C34 | C35 | H353 | 108.1° | 180.0° |
| C34 | C36 | H361 | H362 | 120.0° | 120.0° |
| C34 | C36 | H361 | H363 | 120.0° | 120.0° |
| C34 | C36 | H362 | H363 | 120.0° | 120.0° |
| C34 | C37 | O38 | N39 | 175.0° | 180.0° |
| C37 | C34 | C33 | H331 | 54.3° | 60.0° |
| C37 | C34 | C33 | H332 | 176.4° | 60.0° |
| C37 | C34 | C35 | H351 | 132.5° | 180.0° |
| C37 | C34 | C35 | H352 | 107.5° | 60.0° |
| C37 | C34 | C35 | H353 | 12.5° | 60.1° |
| C37 | C34 | C36 | H361 | 61.5° | 60.0° |
| C37 | C34 | C36 | H362 | 178.5° | 60.0° |
| C37 | C34 | C36 | H363 | 58.5° | 180.0° |
| C34 | C37 | N39 | H391 | 2.3° | 0.1° |
| C34 | C37 | N39 | H392 | 177.7° | 180.0° |
| O38 | C37 | N39 | H391 | 177.3° | 179.9° |
| O38 | C37 | N39 | H392 | 2.6° | 0.0° |
| C37 | N39 | H391 | H392 | 180.0° | 179.9° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H3C1 | C3 | C4 | H4C1 | 51.6° | 180.0° |
| H3C1 | C3 | C4 | H4C2 | 69.1° | 59.9° |
| H3C2 | C3 | C4 | H4C1 | 172.3° | 60.0° |
| H3C2 | C3 | C4 | H4C2 | 51.6° | 180.0° |
| H4C1 | C4 | C5 | H5C1 | 174.8° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 64.1° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 54.1° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 175.2° | 180.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
| H151 | C15 | C16 | H16 | 55.5° | 75.8° |
| H152 | C15 | C16 | H16 | 177.0° | 164.2° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H16 | C16 | C17 | H17 | 64.9° | 66.7° |
| H16 | C16 | C20 | H201 | 169.8° | 67.3° |
| H16 | C16 | C20 | H202 | 67.8° | 172.6° |
| H17 | C17 | C18 | H181 | 91.9° | 179.0° |
| H17 | C17 | C18 | H182 | 28.1° | 59.0° |
| H17 | C17 | C18 | H183 | 148.1° | 61.0° |
| H17 | C17 | C19 | H191 | 53.2° | 58.4° |
| H17 | C17 | C19 | H192 | 66.8° | 61.5° |
| H17 | C17 | C19 | H193 | 173.2° | 178.4° |
| H201 | C20 | C21 | H21 | 61.8° | 66.0° |
| H202 | C20 | C21 | H21 | 175.7° | 173.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.0° |
| H21 | C21 | N22 | H221 | 179.3° | 60.3° |
| H21 | C21 | N22 | H222 | 60.7° | 175.8° |
| H21 | C21 | C23 | H23 | 73.4° | 60.0° |
| H23 | C23 | O24 | H24 | 23.6° | 175.3° |
| H23 | C23 | C25 | H251 | 175.0° | 171.3° |
| H23 | C23 | C25 | H252 | 53.0° | 68.7° |
| H251 | C25 | C26 | H26 | 50.5° | 173.9° |
| H252 | C25 | C26 | H26 | 172.5° | 66.1° |
| H26 | C26 | C27 | H27 | 178.1° | 59.3° |
| H27 | C27 | C28 | H281 | 30.4° | 174.5° |
| H27 | C27 | C28 | H282 | 89.6° | 65.4° |
| H27 | C27 | C28 | H283 | 150.4° | 54.6° |
| H27 | C27 | C29 | H291 | 171.7° | 69.0° |
| H27 | C27 | C29 | H292 | 68.3° | 51.0° |
| H27 | C27 | C29 | H293 | 51.7° | 170.9° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H32 | N32 | C33 | H331 | 178.2° | 120.0° |
| H32 | N32 | C33 | H332 | 56.0° | 120.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 119.9° |
