CYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C42 | doub | 1.21Å | 1.23Å | |
| C42 | N41 | sing | 1.35Å | 1.34Å | |
| C42 | O44 | sing | 1.35Å | 1.47Å | |
| O44 | C46 | sing | 1.45Å | 1.45Å | |
| C46 | C49 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| N41 | C39 | sing | 1.46Å | 1.46Å | |
| N41 | HN41 | sing | 0.97Å | 1.00Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C39 | C37 | sing | 1.51Å | 1.51Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | O45 | sing | 1.43Å | 1.44Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| O45 | HO45 | sing | 0.97Å | 0.95Å | |
| C37 | O38 | doub | 1.21Å | 1.23Å | |
| C37 | N36 | sing | 1.35Å | 1.34Å | |
| N36 | C32 | sing | 1.47Å | 1.46Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å | |
| C32 | C30 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | 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 | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.51Å | 1.52Å | |
| C30 | O31 | doub | 1.21Å | 1.22Å | |
| C29 | C22 | sing | 1.53Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.31Å | 1.35Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | |
| C21 | O28 | doub | 1.21Å | 1.23Å | |
| N20 | C12 | sing | 1.46Å | 1.47Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C12 | C19 | sing | 1.53Å | 1.53Å | |
| C12 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C7 | O11 | sing | 1.34Å | 1.46Å | |
| O11 | C9 | sing | 1.45Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C19 | C13 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.71Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.73Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N16 | C17 | sing | 1.34Å | 1.30Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C17 | O18 | doub | 1.21Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C42 | N41 | 122.8° | 120.0° |
| O43 | C42 | O44 | 118.6° | 120.0° |
| N41 | C42 | O44 | 118.5° | 120.0° |
| C42 | N41 | C39 | 123.4° | 120.0° |
| C42 | N41 | HN41 | 118.3° | 120.0° |
| C42 | O44 | C46 | 124.9° | 117.0° |
| O44 | C46 | C49 | 108.1° | 109.4° |
| O44 | C46 | C47 | 111.1° | 109.5° |
| O44 | C46 | C48 | 110.2° | 109.4° |
| C49 | C46 | C47 | 108.3° | 109.5° |
| C49 | C46 | C48 | 108.5° | 109.4° |
| C46 | C49 | H491 | 109.5° | 109.5° |
| C46 | C49 | H492 | 109.5° | 109.4° |
| C46 | C49 | H493 | 109.4° | 109.4° |
| C47 | C46 | C48 | 110.6° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.5° |
| C46 | C47 | H472 | 109.5° | 109.4° |
| C46 | C47 | H473 | 109.5° | 109.5° |
| C46 | C48 | H481 | 109.5° | 109.5° |
| C46 | C48 | H482 | 109.5° | 109.5° |
| C46 | C48 | H483 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.4° | 109.5° |
| H492 | C49 | H493 | 109.5° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H481 | C48 | H483 | 109.4° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| C39 | N41 | HN41 | 118.3° | 120.0° |
| N41 | C39 | C40 | 106.3° | 109.4° |
| N41 | C39 | C37 | 112.3° | 109.5° |
| N41 | C39 | H39 | 110.1° | 109.5° |
| C40 | C39 | C37 | 110.4° | 109.5° |
| C40 | C39 | H39 | 112.0° | 109.4° |
| C39 | C40 | O45 | 111.9° | 109.5° |
| C39 | C40 | H401 | 108.6° | 109.5° |
| C39 | C40 | H402 | 108.1° | 109.5° |
| C37 | C39 | H39 | 106.0° | 109.5° |
| C39 | C37 | O38 | 121.5° | 120.0° |
| C39 | C37 | N36 | 114.5° | 120.0° |
| O45 | C40 | H401 | 108.7° | 109.4° |
| O45 | C40 | H402 | 108.2° | 109.5° |
| C40 | O45 | HO45 | 109.5° | 114.0° |
| H401 | C40 | H402 | 111.3° | 109.4° |
| O38 | C37 | N36 | 124.0° | 120.0° |
| C37 | N36 | C32 | 123.9° | 119.9° |
| C37 | N36 | HN36 | 118.0° | 120.1° |
| C32 | N36 | HN36 | 118.1° | 120.0° |
| N36 | C32 | C30 | 109.4° | 109.4° |
| N36 | C32 | C33 | 105.5° | 109.5° |
| N36 | C32 | H32 | 114.0° | 109.5° |
| C30 | C32 | C33 | 114.6° | 109.4° |
| C30 | C32 | H32 | 104.9° | 109.5° |
| C32 | C30 | C29 | 119.0° | 120.0° |
| C32 | C30 | O31 | 119.8° | 120.0° |
| C33 | C32 | H32 | 108.7° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | C35 | 113.8° | 109.5° |
| C32 | C33 | H33 | 105.0° | 109.5° |
| C34 | C33 | C35 | 109.0° | 109.5° |
| C34 | C33 | H33 | 110.2° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H342 | 109.4° | 109.4° |
| C33 | C34 | H343 | 109.5° | 109.4° |
| C35 | C33 | H33 | 107.5° | 109.4° |
| C33 | C35 | H351 | 109.5° | 109.4° |
| C33 | C35 | H352 | 109.5° | 109.5° |
| C33 | C35 | H353 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.5° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| C29 | C30 | O31 | 121.2° | 120.0° |
| C30 | C29 | C22 | 113.8° | 109.5° |
| C30 | C29 | H291 | 108.1° | 109.5° |
| C30 | C29 | H292 | 107.0° | 109.4° |
| C22 | C29 | H291 | 108.0° | 109.4° |
| C22 | C29 | H292 | 107.1° | 109.5° |
| C29 | C22 | C23 | 110.8° | 109.4° |
| C29 | C22 | C21 | 110.0° | 109.5° |
| C29 | C22 | H22 | 108.3° | 109.5° |
| H291 | C29 | H292 | 112.9° | 109.4° |
| C23 | C22 | C21 | 109.7° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.5° |
| C22 | C23 | C24 | 113.0° | 109.5° |
| C22 | C23 | H231 | 108.3° | 109.5° |
| C22 | C23 | H232 | 107.5° | 109.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C22 | C21 | N20 | 118.1° | 120.0° |
| C22 | C21 | O28 | 120.1° | 120.0° |
| C24 | C23 | H231 | 108.3° | 109.4° |
| C24 | C23 | H232 | 107.5° | 109.5° |
| C23 | C24 | C25 | 122.7° | 120.1° |
| C23 | C24 | H24 | 118.6° | 119.9° |
| H231 | C23 | H232 | 112.3° | 109.4° |
| C25 | C24 | H24 | 118.6° | 120.0° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C24 | C25 | C27 | 122.8° | 120.0° |
| C26 | C25 | C27 | 117.5° | 120.0° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H261 | C26 | H263 | 109.5° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.4° |
| N20 | C21 | O28 | 121.7° | 120.0° |
| C21 | N20 | C12 | 119.5° | 120.0° |
| C21 | N20 | HN20 | 120.2° | 120.0° |
| C12 | N20 | HN20 | 120.2° | 120.0° |
| N20 | C12 | C19 | 104.6° | 109.5° |
| N20 | C12 | C5 | 109.7° | 109.4° |
| N20 | C12 | H12 | 112.5° | 109.5° |
| C19 | C12 | C5 | 109.6° | 109.5° |
| C19 | C12 | H12 | 112.6° | 109.4° |
| C12 | C19 | C13 | 113.7° | 109.5° |
| C12 | C19 | H191 | 108.1° | 109.5° |
| C12 | C19 | H192 | 107.1° | 109.5° |
| C5 | C12 | H12 | 107.8° | 109.5° |
| C12 | C5 | C6 | 115.3° | 109.5° |
| C12 | C5 | H51 | 107.6° | 109.4° |
| C12 | C5 | H52 | 106.2° | 109.5° |
| C6 | C5 | H51 | 107.6° | 109.4° |
| C6 | C5 | H52 | 106.3° | 109.5° |
| C5 | C6 | C7 | 109.9° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.4° |
| C5 | C6 | H62 | 109.2° | 109.5° |
| H51 | C5 | H52 | 114.1° | 109.5° |
| C7 | C6 | H61 | 109.4° | 109.5° |
| C7 | C6 | H62 | 109.3° | 109.5° |
| C6 | C7 | O8 | 121.2° | 120.0° |
| C6 | C7 | O11 | 120.3° | 120.0° |
| H61 | C6 | H62 | 109.8° | 109.4° |
| O8 | C7 | O11 | 118.5° | 120.0° |
| C7 | O11 | C9 | 121.5° | 117.0° |
| O11 | C9 | C10 | 111.5° | 109.5° |
| O11 | C9 | H91 | 108.8° | 109.5° |
| O11 | C9 | H92 | 108.3° | 109.5° |
| C10 | C9 | H91 | 108.8° | 109.5° |
| C10 | C9 | H92 | 108.3° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| H91 | C9 | H92 | 111.1° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| C13 | C19 | H191 | 108.1° | 109.4° |
| C13 | C19 | H192 | 107.1° | 109.5° |
| C19 | C13 | C17 | 111.8° | 110.5° |
| C19 | C13 | C14 | 112.4° | 110.5° |
| C19 | C13 | H13 | 103.8° | 110.5° |
| H191 | C19 | H192 | 112.9° | 109.5° |
| C17 | C13 | C14 | 102.3° | 104.2° |
| C17 | C13 | H13 | 113.7° | 110.5° |
| C13 | C17 | N16 | 111.6° | 110.1° |
| C13 | C17 | O18 | 123.0° | 125.0° |
| C14 | C13 | H13 | 113.1° | 110.6° |
| C13 | C14 | C15 | 102.5° | 101.8° |
| C13 | C14 | H141 | 111.9° | 111.0° |
| C13 | C14 | H142 | 113.3° | 111.0° |
| C15 | C14 | H141 | 111.8° | 111.0° |
| C15 | C14 | H142 | 113.3° | 110.9° |
| C14 | C15 | N16 | 89.4° | 105.5° |
| C14 | C15 | H151 | 116.8° | 110.2° |
| C14 | C15 | H152 | 120.5° | 110.2° |
| H141 | C14 | H142 | 104.3° | 110.9° |
| N16 | C15 | H151 | 116.8° | 110.3° |
| N16 | C15 | H152 | 120.5° | 110.3° |
| C15 | N16 | C17 | 112.8° | 111.3° |
| C15 | N16 | HN16 | 123.6° | 124.3° |
| H151 | C15 | H152 | 95.1° | 110.3° |
| C17 | N16 | HN16 | 123.6° | 124.4° |
| N16 | C17 | O18 | 125.4° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C42 | N41 | O44 | 179.0° | 179.8° |
| O43 | C42 | O44 | C46 | 82.2° | 0.0° |
| O43 | C42 | N41 | C39 | 1.4° | 0.1° |
| O43 | C42 | N41 | HN41 | 178.6° | 180.0° |
| N41 | C42 | O44 | C46 | 98.8° | 179.8° |
| C42 | N41 | C39 | HN41 | 180.0° | 179.9° |
| C42 | N41 | C39 | C40 | 158.3° | 85.0° |
| C42 | N41 | C39 | C37 | 81.0° | 155.0° |
| C42 | N41 | C39 | H39 | 36.8° | 34.9° |
| C42 | O44 | C46 | C49 | 172.3° | 60.1° |
| C42 | O44 | C46 | C47 | 53.6° | 60.0° |
| C42 | O44 | C46 | C48 | 69.3° | 180.0° |
| O44 | C42 | N41 | C39 | 179.7° | 179.7° |
| O44 | C42 | N41 | HN41 | 0.3° | 0.2° |
| O44 | C46 | C49 | C47 | 120.5° | 120.0° |
| O44 | C46 | C49 | C48 | 119.5° | 119.9° |
| O44 | C46 | C47 | C48 | 122.7° | 120.0° |
| O44 | C46 | C49 | H491 | 111.5° | 59.9° |
| O44 | C46 | C49 | H492 | 128.4° | 180.0° |
| O44 | C46 | C49 | H493 | 8.4° | 60.1° |
| O44 | C46 | C48 | H481 | 92.3° | 60.0° |
| O44 | C46 | C48 | H482 | 147.7° | 180.0° |
| O44 | C46 | C48 | H483 | 27.7° | 60.0° |
| O44 | C46 | C47 | H471 | 66.6° | 60.0° |
| O44 | C46 | C47 | H472 | 173.4° | 180.0° |
| O44 | C46 | C47 | H473 | 53.4° | 60.0° |
| C49 | C46 | C47 | C48 | 118.7° | 120.0° |
| C46 | C49 | H491 | H492 | 120.0° | 120.0° |
| C46 | C49 | H491 | H493 | 120.0° | 120.0° |
| C46 | C49 | H492 | H493 | 120.0° | 119.9° |
| C49 | C46 | C48 | H481 | 149.5° | 180.0° |
| C49 | C46 | C48 | H482 | 29.5° | 60.1° |
| C49 | C46 | C48 | H483 | 90.5° | 60.0° |
| C49 | C46 | C47 | H471 | 52.0° | 60.0° |
| C49 | C46 | C47 | H472 | 68.0° | 60.0° |
| C49 | C46 | C47 | H473 | 172.0° | 180.0° |
| C47 | C46 | C49 | H491 | 128.0° | 180.0° |
| C47 | C46 | C49 | H492 | 8.0° | 60.0° |
| C47 | C46 | C49 | H493 | 112.0° | 59.9° |
| C47 | C46 | C48 | H481 | 30.9° | 60.0° |
| C47 | C46 | C48 | H482 | 89.1° | 60.0° |
| C47 | C46 | C48 | H483 | 150.9° | 180.0° |
| C46 | C47 | H471 | H472 | 120.0° | 119.9° |
| C46 | C47 | H471 | H473 | 120.0° | 120.0° |
| C46 | C47 | H472 | H473 | 120.0° | 120.0° |
| C48 | C46 | C49 | H491 | 7.9° | 60.0° |
| C48 | C46 | C49 | H492 | 112.1° | 60.1° |
| C48 | C46 | C49 | H493 | 127.9° | 180.0° |
| C46 | C48 | H481 | H482 | 120.0° | 120.0° |
| C46 | C48 | H481 | H483 | 120.0° | 120.1° |
| C46 | C48 | H482 | H483 | 120.0° | 120.1° |
| C48 | C46 | C47 | H471 | 170.7° | 180.0° |
| C48 | C46 | C47 | H472 | 50.7° | 60.0° |
| C48 | C46 | C47 | H473 | 69.3° | 59.9° |
| H491 | C49 | H492 | H493 | 120.0° | 120.1° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| N41 | C39 | C40 | C37 | 122.0° | 120.0° |
| N41 | C39 | C40 | H39 | 120.2° | 120.0° |
| N41 | C39 | C37 | H39 | 120.2° | 120.1° |
| N41 | C39 | C40 | O45 | 64.1° | 65.0° |
| N41 | C39 | C40 | H401 | 175.9° | 175.0° |
| N41 | C39 | C40 | H402 | 54.9° | 55.0° |
| N41 | C39 | C37 | O38 | 42.0° | 0.0° |
| N41 | C39 | C37 | N36 | 137.8° | 180.0° |
| HN41 | N41 | C39 | C40 | 21.7° | 95.1° |
| HN41 | N41 | C39 | C37 | 99.0° | 24.9° |
| HN41 | N41 | C39 | H39 | 143.2° | 145.0° |
| C40 | C39 | C37 | H39 | 121.5° | 119.9° |
| C39 | C40 | O45 | H401 | 120.0° | 120.0° |
| C39 | C40 | O45 | H402 | 119.0° | 120.1° |
| C39 | C40 | H401 | H402 | 119.0° | 120.1° |
| C39 | C40 | O45 | HO45 | 168.9° | 180.0° |
| C40 | C39 | C37 | O38 | 76.4° | 120.0° |
| C40 | C39 | C37 | N36 | 103.9° | 60.0° |
| C37 | C39 | C40 | O45 | 57.9° | 55.0° |
| C37 | C39 | C40 | H401 | 62.1° | 65.0° |
| C37 | C39 | C40 | H402 | 176.9° | 175.0° |
| C39 | C37 | O38 | N36 | 179.7° | 180.0° |
| C39 | C37 | N36 | C32 | 180.0° | 180.0° |
| C39 | C37 | N36 | HN36 | 0.0° | 0.0° |
| H39 | C39 | C40 | O45 | 175.7° | 175.0° |
| H39 | C39 | C40 | H401 | 55.7° | 55.0° |
| H39 | C39 | C40 | H402 | 65.3° | 65.0° |
| H39 | C39 | C37 | O38 | 162.2° | 120.1° |
| H39 | C39 | C37 | N36 | 17.6° | 59.9° |
| O45 | C40 | H401 | H402 | 119.0° | 120.0° |
| H401 | C40 | O45 | HO45 | 71.1° | 60.0° |
| H402 | C40 | O45 | HO45 | 49.9° | 59.9° |
| O38 | C37 | N36 | C32 | 0.2° | 0.0° |
| O38 | C37 | N36 | HN36 | 179.8° | 180.0° |
| C37 | N36 | C32 | HN36 | 180.0° | 180.0° |
| C37 | N36 | C32 | C30 | 111.6° | 155.0° |
| C37 | N36 | C32 | C33 | 124.7° | 85.0° |
| C37 | N36 | C32 | H32 | 5.4° | 35.0° |
| N36 | C32 | C30 | C33 | 118.2° | 119.9° |
| N36 | C32 | C30 | H32 | 122.7° | 120.0° |
| N36 | C32 | C33 | H32 | 122.7° | 120.1° |
| N36 | C32 | C33 | C34 | 71.5° | 54.2° |
| N36 | C32 | C33 | C35 | 165.0° | 65.8° |
| N36 | C32 | C33 | H33 | 47.7° | 174.2° |
| N36 | C32 | C30 | C29 | 116.0° | 160.1° |
| N36 | C32 | C30 | O31 | 63.1° | 19.8° |
| HN36 | N36 | C32 | C30 | 68.4° | 25.0° |
| HN36 | N36 | C32 | C33 | 55.3° | 94.9° |
| HN36 | N36 | C32 | H32 | 174.6° | 145.0° |
| C30 | C32 | C33 | H32 | 116.9° | 120.0° |
| C30 | C32 | C33 | C34 | 168.1° | 65.7° |
| C30 | C32 | C33 | C35 | 44.6° | 174.2° |
| C30 | C32 | C33 | H33 | 72.7° | 54.3° |
| C32 | C30 | C29 | O31 | 179.1° | 179.9° |
| C32 | C30 | C29 | C22 | 162.1° | 174.0° |
| C32 | C30 | C29 | H291 | 77.9° | 54.0° |
| C32 | C30 | C29 | H292 | 44.0° | 66.0° |
| C32 | C33 | C34 | C35 | 126.2° | 120.0° |
| C32 | C33 | C34 | H33 | 116.1° | 120.0° |
| C32 | C33 | C35 | H33 | 115.8° | 119.9° |
| C32 | C33 | C35 | H351 | 14.0° | 67.7° |
| C32 | C33 | C35 | H352 | 106.0° | 172.3° |
| C32 | C33 | C35 | H353 | 134.0° | 52.3° |
| C32 | C33 | C34 | H341 | 137.5° | 60.0° |
| C32 | C33 | C34 | H342 | 17.5° | 180.0° |
| C32 | C33 | C34 | H343 | 102.4° | 60.0° |
| C33 | C32 | C30 | C29 | 125.8° | 80.0° |
| C33 | C32 | C30 | O31 | 55.1° | 100.1° |
| H32 | C32 | C33 | C34 | 51.2° | 174.3° |
| H32 | C32 | C33 | C35 | 72.3° | 54.2° |
| H32 | C32 | C33 | H33 | 170.4° | 65.7° |
| H32 | C32 | C30 | C29 | 6.7° | 40.1° |
| H32 | C32 | C30 | O31 | 174.2° | 139.9° |
| C34 | C33 | C35 | H33 | 119.4° | 120.0° |
| C34 | C33 | C35 | H351 | 138.8° | 52.3° |
| C34 | C33 | C35 | H352 | 18.7° | 67.7° |
| C34 | C33 | C35 | H353 | 101.3° | 172.3° |
| C33 | C34 | H341 | H342 | 120.0° | 120.0° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 119.9° |
| C33 | C35 | H351 | H352 | 120.0° | 120.0° |
| C33 | C35 | H351 | H353 | 120.0° | 120.0° |
| C33 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C33 | C34 | H341 | 11.3° | 180.0° |
| C35 | C33 | C34 | H342 | 108.7° | 60.0° |
| C35 | C33 | C34 | H343 | 131.3° | 60.0° |
| H33 | C33 | C35 | H351 | 101.8° | 172.3° |
| H33 | C33 | C35 | H352 | 138.2° | 52.3° |
| H33 | C33 | C35 | H353 | 18.2° | 67.7° |
| H33 | C33 | C34 | H341 | 106.4° | 60.0° |
| H33 | C33 | C34 | H342 | 133.6° | 60.0° |
| H33 | C33 | C34 | H343 | 13.6° | 180.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H341 | C34 | H342 | H343 | 120.0° | 120.1° |
| C30 | C29 | C22 | H291 | 120.0° | 120.1° |
| C30 | C29 | C22 | H292 | 118.1° | 120.0° |
| C30 | C29 | H291 | H292 | 118.2° | 120.0° |
| C30 | C29 | C22 | C23 | 171.9° | 65.0° |
| C30 | C29 | C22 | C21 | 50.4° | 175.0° |
| C30 | C29 | C22 | H22 | 69.1° | 55.0° |
| O31 | C30 | C29 | C22 | 18.8° | 5.9° |
| O31 | C30 | C29 | H291 | 101.2° | 126.0° |
| O31 | C30 | C29 | H292 | 136.9° | 114.1° |
| C22 | C29 | H291 | H292 | 118.3° | 119.9° |
| C29 | C22 | C23 | C21 | 121.6° | 120.0° |
| C29 | C22 | C23 | H22 | 118.8° | 120.0° |
| C29 | C22 | C21 | H22 | 118.9° | 120.0° |
| C29 | C22 | C23 | C24 | 52.0° | 178.5° |
| C29 | C22 | C23 | H231 | 68.0° | 58.5° |
| C29 | C22 | C23 | H232 | 170.5° | 61.5° |
| C29 | C22 | C21 | N20 | 139.2° | 158.3° |
| C29 | C22 | C21 | O28 | 40.5° | 21.7° |
| H291 | C29 | C22 | C23 | 68.1° | 55.0° |
| H291 | C29 | C22 | C21 | 170.4° | 64.9° |
| H291 | C29 | C22 | H22 | 50.8° | 175.0° |
| H292 | C29 | C22 | C23 | 53.8° | 175.0° |
| H292 | C29 | C22 | C21 | 67.6° | 55.0° |
| H292 | C29 | C22 | H22 | 172.8° | 65.0° |
| C23 | C22 | C21 | H22 | 119.0° | 120.0° |
| C22 | C23 | C24 | H231 | 120.0° | 120.0° |
| C22 | C23 | C24 | H232 | 118.5° | 120.1° |
| C22 | C23 | H231 | H232 | 118.5° | 120.0° |
| C22 | C23 | C24 | C25 | 161.2° | 123.0° |
| C22 | C23 | C24 | H24 | 18.8° | 57.0° |
| C23 | C22 | C21 | N20 | 98.7° | 81.7° |
| C23 | C22 | C21 | O28 | 81.6° | 98.3° |
| C21 | C22 | C23 | C24 | 173.6° | 61.5° |
| C21 | C22 | C23 | H231 | 53.6° | 178.5° |
| C21 | C22 | C23 | H232 | 67.9° | 58.5° |
| C22 | C21 | N20 | O28 | 179.7° | 180.0° |
| C22 | C21 | N20 | C12 | 179.2° | 174.2° |
| C22 | C21 | N20 | HN20 | 0.8° | 5.8° |
| H22 | C22 | C23 | C24 | 66.8° | 58.5° |
| H22 | C22 | C23 | H231 | 173.2° | 61.5° |
| H22 | C22 | C23 | H232 | 51.7° | 178.5° |
| H22 | C22 | C21 | N20 | 20.3° | 38.3° |
| H22 | C22 | C21 | O28 | 159.4° | 141.7° |
| C24 | C23 | H231 | H232 | 118.6° | 120.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.8° | 3.9° |
| C23 | C24 | C25 | C27 | 0.1° | 176.1° |
| H231 | C23 | C24 | C25 | 41.2° | 3.0° |
| H231 | C23 | C24 | H24 | 138.8° | 177.0° |
| H232 | C23 | C24 | C25 | 80.3° | 117.0° |
| H232 | C23 | C24 | H24 | 99.7° | 63.1° |
| C24 | C25 | C26 | C27 | 179.9° | 180.0° |
| C24 | C25 | C26 | H261 | 46.7° | 84.8° |
| C24 | C25 | C26 | H262 | 73.3° | 155.2° |
| C24 | C25 | C26 | H263 | 166.7° | 35.2° |
| C24 | C25 | C27 | H271 | 125.7° | 0.0° |
| C24 | C25 | C27 | H272 | 114.3° | 120.1° |
| C24 | C25 | C27 | H273 | 5.7° | 120.0° |
| H24 | C24 | C25 | C26 | 0.2° | 176.1° |
| H24 | C24 | C25 | C27 | 179.9° | 4.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.1° |
| C26 | C25 | C27 | H271 | 54.4° | 180.0° |
| C26 | C25 | C27 | H272 | 65.6° | 60.0° |
| C26 | C25 | C27 | H273 | 174.4° | 60.0° |
| C27 | C25 | C26 | H261 | 133.4° | 95.2° |
| C27 | C25 | C26 | H262 | 106.6° | 24.8° |
| C27 | C25 | C26 | H263 | 13.4° | 144.9° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 119.9° | 120.0° |
| C25 | C27 | H272 | H273 | 120.0° | 119.9° |
| H261 | C26 | H262 | H263 | 120.0° | 119.9° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| C21 | N20 | C12 | HN20 | 180.0° | 180.0° |
| C21 | N20 | C12 | C19 | 129.2° | 85.0° |
| C21 | N20 | C12 | C5 | 113.4° | 155.0° |
| C21 | N20 | C12 | H12 | 6.6° | 34.9° |
| O28 | C21 | N20 | C12 | 0.5° | 5.8° |
| O28 | C21 | N20 | HN20 | 179.5° | 174.2° |
| N20 | C12 | C19 | C5 | 117.5° | 119.9° |
| N20 | C12 | C19 | H12 | 122.5° | 120.0° |
| N20 | C12 | C5 | H12 | 122.9° | 120.1° |
| N20 | C12 | C5 | C6 | 57.2° | 65.1° |
| N20 | C12 | C5 | H51 | 177.2° | 175.0° |
| N20 | C12 | C5 | H52 | 60.2° | 55.0° |
| N20 | C12 | C19 | C13 | 139.5° | 65.0° |
| N20 | C12 | C19 | H191 | 19.5° | 55.0° |
| N20 | C12 | C19 | H192 | 102.3° | 175.0° |
| HN20 | N20 | C12 | C19 | 50.8° | 95.0° |
| HN20 | N20 | C12 | C5 | 66.6° | 25.0° |
| HN20 | N20 | C12 | H12 | 173.3° | 145.1° |
| C19 | C12 | C5 | H12 | 122.9° | 120.0° |
| C19 | C12 | C5 | C6 | 171.4° | 175.0° |
| C19 | C12 | C5 | H51 | 68.6° | 55.0° |
| C19 | C12 | C5 | H52 | 54.0° | 64.9° |
| C12 | C19 | C13 | H191 | 120.0° | 120.0° |
| C12 | C19 | C13 | H192 | 118.1° | 120.0° |
| C12 | C19 | H191 | H192 | 118.2° | 120.0° |
| C12 | C19 | C13 | C17 | 147.4° | 66.5° |
| C12 | C19 | C13 | C14 | 33.0° | 178.8° |
| C12 | C19 | C13 | H13 | 89.6° | 56.1° |
| C12 | C5 | C6 | H51 | 120.0° | 119.9° |
| C12 | C5 | C6 | H52 | 117.4° | 120.1° |
| C12 | C5 | H51 | H52 | 117.6° | 120.0° |
| C12 | C5 | C6 | C7 | 161.7° | 179.9° |
| C12 | C5 | C6 | H61 | 78.2° | 60.0° |
| C12 | C5 | C6 | H62 | 41.9° | 59.9° |
| C5 | C12 | C19 | C13 | 103.0° | 175.0° |
| C5 | C12 | C19 | H191 | 137.0° | 65.0° |
| C5 | C12 | C19 | H192 | 15.1° | 55.0° |
| H12 | C12 | C5 | C6 | 65.7° | 55.0° |
| H12 | C12 | C5 | H51 | 54.3° | 64.9° |
| H12 | C12 | C5 | H52 | 176.9° | 175.1° |
| H12 | C12 | C19 | C13 | 17.0° | 55.0° |
| H12 | C12 | C19 | H191 | 103.0° | 175.0° |
| H12 | C12 | C19 | H192 | 135.2° | 65.0° |
| C6 | C5 | H51 | H52 | 117.6° | 120.1° |
| C5 | C6 | C7 | H61 | 120.0° | 120.0° |
| C5 | C6 | C7 | H62 | 119.8° | 120.0° |
| C5 | C6 | H61 | H62 | 119.8° | 120.0° |
| C5 | C6 | C7 | O8 | 12.1° | 0.0° |
| C5 | C6 | C7 | O11 | 167.6° | 179.9° |
| H51 | C5 | C6 | C7 | 41.7° | 60.0° |
| H51 | C5 | C6 | H61 | 161.8° | 179.9° |
| H51 | C5 | C6 | H62 | 78.1° | 60.0° |
| H52 | C5 | C6 | C7 | 80.9° | 60.0° |
| H52 | C5 | C6 | H61 | 39.1° | 60.1° |
| H52 | C5 | C6 | H62 | 159.3° | 180.0° |
| C7 | C6 | H61 | H62 | 119.9° | 120.0° |
| C6 | C7 | O8 | O11 | 179.7° | 179.9° |
| C6 | C7 | O11 | C9 | 80.6° | 180.0° |
| H61 | C6 | C7 | O8 | 107.9° | 120.0° |
| H61 | C6 | C7 | O11 | 72.4° | 59.9° |
| H62 | C6 | C7 | O8 | 132.0° | 120.1° |
| H62 | C6 | C7 | O11 | 47.7° | 60.1° |
| O8 | C7 | O11 | C9 | 99.2° | 0.1° |
| C7 | O11 | C9 | C10 | 63.1° | 179.9° |
| C7 | O11 | C9 | H91 | 177.0° | 59.9° |
| C7 | O11 | C9 | H92 | 56.1° | 60.0° |
| O11 | C9 | C10 | H91 | 120.0° | 120.0° |
| O11 | C9 | C10 | H92 | 119.1° | 120.0° |
| O11 | C9 | H91 | H92 | 119.1° | 120.0° |
| O11 | C9 | C10 | H101 | 169.9° | 180.0° |
| O11 | C9 | C10 | H102 | 70.1° | 60.0° |
| O11 | C9 | C10 | H103 | 49.9° | 60.0° |
| C10 | C9 | H91 | H92 | 119.2° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| H91 | C9 | C10 | H101 | 49.9° | 60.0° |
| H91 | C9 | C10 | H102 | 169.9° | 180.0° |
| H91 | C9 | C10 | H103 | 70.1° | 60.0° |
| H92 | C9 | C10 | H101 | 71.0° | 60.0° |
| H92 | C9 | C10 | H102 | 49.0° | 60.0° |
| H92 | C9 | C10 | H103 | 169.0° | 179.9° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| C13 | C19 | H191 | H192 | 118.3° | 120.0° |
| C19 | C13 | C17 | C14 | 120.5° | 118.7° |
| C19 | C13 | C17 | H13 | 117.2° | 122.5° |
| C19 | C13 | C14 | H13 | 117.2° | 122.6° |
| C19 | C13 | C14 | C15 | 165.3° | 143.5° |
| C19 | C13 | C14 | H141 | 74.7° | 98.4° |
| C19 | C13 | C14 | H142 | 42.8° | 25.4° |
| C19 | C13 | C17 | N16 | 149.4° | 134.9° |
| C19 | C13 | C17 | O18 | 28.8° | 45.1° |
| H191 | C19 | C13 | C17 | 27.4° | 173.5° |
| H191 | C19 | C13 | C14 | 87.0° | 58.8° |
| H191 | C19 | C13 | H13 | 150.4° | 63.9° |
| H192 | C19 | C13 | C17 | 94.5° | 53.6° |
| H192 | C19 | C13 | C14 | 151.1° | 61.2° |
| H192 | C19 | C13 | H13 | 28.5° | 176.1° |
| C17 | C13 | C14 | H13 | 122.7° | 118.7° |
| C17 | C13 | C14 | C15 | 45.3° | 24.8° |
| C17 | C13 | C14 | H141 | 165.3° | 142.9° |
| C17 | C13 | C14 | H142 | 77.2° | 93.3° |
| C13 | C17 | N16 | C15 | 0.6° | 0.4° |
| C13 | C17 | N16 | O18 | 178.1° | 180.0° |
| C13 | C17 | N16 | HN16 | 179.4° | 179.6° |
| C13 | C14 | C15 | H141 | 120.0° | 118.1° |
| C13 | C14 | C15 | H142 | 122.5° | 118.1° |
| C13 | C14 | H141 | H142 | 122.8° | 123.8° |
| C13 | C14 | C15 | N16 | 40.4° | 25.4° |
| C13 | C14 | C15 | H151 | 79.6° | 93.6° |
| C13 | C14 | C15 | H152 | 166.0° | 144.4° |
| C14 | C13 | C17 | N16 | 28.9° | 16.3° |
| C14 | C13 | C17 | O18 | 149.3° | 163.8° |
| H13 | C13 | C14 | C15 | 77.5° | 93.9° |
| H13 | C13 | C14 | H141 | 42.5° | 24.2° |
| H13 | C13 | C14 | H142 | 160.0° | 148.0° |
| H13 | C13 | C17 | N16 | 93.4° | 102.5° |
| H13 | C13 | C17 | O18 | 88.4° | 77.5° |
| C15 | C14 | H141 | H142 | 122.8° | 123.8° |
| C14 | C15 | N16 | H151 | 120.0° | 119.0° |
| C14 | C15 | N16 | H152 | 125.6° | 119.0° |
| C14 | C15 | H151 | H152 | 128.0° | 122.0° |
| C14 | C15 | N16 | C17 | 25.9° | 17.0° |
| C14 | C15 | N16 | HN16 | 154.1° | 163.0° |
| H141 | C14 | C15 | N16 | 160.4° | 143.5° |
| H141 | C14 | C15 | H151 | 40.4° | 24.5° |
| H141 | C14 | C15 | H152 | 73.9° | 97.5° |
| H142 | C14 | C15 | N16 | 82.0° | 92.7° |
| H142 | C14 | C15 | H151 | 157.9° | 148.3° |
| H142 | C14 | C15 | H152 | 43.6° | 26.3° |
| N16 | C15 | H151 | H152 | 128.0° | 122.0° |
| C15 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C15 | N16 | C17 | O18 | 178.7° | 179.6° |
| H151 | C15 | N16 | C17 | 94.1° | 102.0° |
| H151 | C15 | N16 | HN16 | 85.9° | 78.0° |
| H152 | C15 | N16 | C17 | 151.5° | 136.0° |
| H152 | C15 | N16 | HN16 | 28.5° | 44.0° |
| HN16 | N16 | C17 | O18 | 1.3° | 0.4° |
