PAR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O11 | sing | 1.43Å | 1.44Å | |
| C11 | C21 | sing | 1.53Å | 1.54Å | |
| C11 | O51 | sing | 1.43Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| O11 | C42 | sing | 1.43Å | 1.47Å | |
| C21 | N21 | sing | 1.47Å | 1.49Å | |
| C21 | C31 | sing | 1.53Å | 1.57Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| N21 | HN21 | sing | 1.01Å | 1.02Å | |
| N21 | HN22 | sing | 1.01Å | 1.02Å | |
| C31 | O31 | sing | 1.43Å | 1.45Å | |
| C31 | C41 | sing | 1.53Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C41 | O41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.12Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C51 | O51 | sing | 1.43Å | 1.49Å | |
| C51 | C61 | sing | 1.53Å | 1.56Å | |
| C51 | H51 | sing | 1.09Å | 1.11Å | |
| C61 | O61 | sing | 1.43Å | 1.44Å | |
| C61 | H611 | sing | 1.09Å | 1.12Å | |
| C61 | H612 | sing | 1.09Å | 1.12Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| C12 | N12 | sing | 1.47Å | 1.49Å | |
| C12 | C22 | sing | 1.53Å | 1.55Å | |
| C12 | C62 | sing | 1.53Å | 1.56Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| N12 | H121 | sing | 1.01Å | 1.02Å | |
| N12 | H122 | sing | 1.01Å | 1.02Å | |
| C22 | C32 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C32 | N32 | sing | 1.47Å | 1.48Å | |
| C32 | C42 | sing | 1.53Å | 1.56Å | |
| C32 | H32 | sing | 1.09Å | 1.12Å | |
| N32 | H321 | sing | 1.01Å | 1.02Å | |
| N32 | H322 | sing | 1.01Å | 1.02Å | |
| C42 | C52 | sing | 1.53Å | 1.53Å | |
| C42 | H42 | sing | 1.09Å | 1.12Å | |
| C52 | O52 | sing | 1.43Å | 1.44Å | |
| C52 | C62 | sing | 1.53Å | 1.52Å | |
| C52 | H52 | sing | 1.09Å | 1.11Å | |
| O52 | C13 | sing | 1.43Å | 1.44Å | |
| C62 | O62 | sing | 1.43Å | 1.42Å | |
| C62 | H62 | sing | 1.09Å | 1.11Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å | |
| C13 | C23 | sing | 1.54Å | 1.51Å | |
| C13 | O43 | sing | 1.44Å | 1.45Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C23 | O23 | sing | 1.43Å | 1.44Å | |
| C23 | C33 | sing | 1.54Å | 1.58Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C33 | O33 | sing | 1.43Å | 1.47Å | |
| C33 | C43 | sing | 1.54Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| O33 | C14 | sing | 1.43Å | 1.41Å | |
| C43 | O43 | sing | 1.45Å | 1.48Å | |
| C43 | C53 | sing | 1.53Å | 1.51Å | |
| C43 | H43 | sing | 1.09Å | 1.12Å | |
| C53 | O53 | sing | 1.43Å | 1.42Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| O53 | HO53 | sing | 0.97Å | 0.95Å | |
| C14 | C24 | sing | 1.53Å | 1.54Å | |
| C14 | O54 | sing | 1.42Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C24 | N24 | sing | 1.47Å | 1.51Å | |
| C24 | C34 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| N24 | H241 | sing | 1.01Å | 1.02Å | |
| N24 | H242 | sing | 1.01Å | 1.02Å | |
| C34 | O34 | sing | 1.43Å | 1.40Å | |
| C34 | C44 | sing | 1.53Å | 1.55Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C44 | O44 | sing | 1.43Å | 1.45Å | |
| C44 | C54 | sing | 1.53Å | 1.54Å | |
| C44 | H44 | sing | 1.09Å | 1.11Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C54 | O54 | sing | 1.43Å | 1.49Å | |
| C54 | C64 | sing | 1.53Å | 1.57Å | |
| C54 | H54 | sing | 1.09Å | 1.12Å | |
| C64 | N64 | sing | 1.47Å | 1.50Å | |
| C64 | H641 | sing | 1.09Å | 1.11Å | |
| C64 | H642 | sing | 1.09Å | 1.11Å | |
| N64 | HN61 | sing | 1.01Å | 1.02Å | |
| N64 | HN62 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C11 | C21 | 110.3° | 109.4° |
| O11 | C11 | O51 | 111.9° | 109.4° |
| O11 | C11 | H11 | 107.2° | 109.4° |
| C11 | O11 | C42 | 118.9° | 106.8° |
| C21 | C11 | O51 | 109.2° | 109.8° |
| C21 | C11 | H11 | 110.0° | 109.4° |
| C11 | C21 | N21 | 111.2° | 109.6° |
| C11 | C21 | C31 | 109.6° | 109.0° |
| C11 | C21 | H21 | 108.6° | 109.5° |
| O51 | C11 | H11 | 108.3° | 109.4° |
| C11 | O51 | C51 | 117.6° | 107.6° |
| O11 | C42 | C32 | 109.3° | 109.5° |
| O11 | C42 | C52 | 107.6° | 109.4° |
| O11 | C42 | H42 | 111.1° | 109.5° |
| N21 | C21 | C31 | 110.6° | 109.6° |
| N21 | C21 | H21 | 107.5° | 109.6° |
| C21 | N21 | HN21 | 111.2° | 106.7° |
| C21 | N21 | HN22 | 111.6° | 106.7° |
| C31 | C21 | H21 | 109.2° | 109.5° |
| C21 | C31 | O31 | 111.4° | 109.7° |
| C21 | C31 | C41 | 110.1° | 108.7° |
| C21 | C31 | H31 | 107.6° | 109.6° |
| HN21 | N21 | HN22 | 111.6° | 106.7° |
| O31 | C31 | C41 | 109.1° | 109.6° |
| O31 | C31 | H31 | 108.7° | 109.6° |
| C31 | O31 | HO31 | 111.4° | 106.8° |
| C41 | C31 | H31 | 110.0° | 109.6° |
| C31 | C41 | O41 | 108.9° | 109.6° |
| C31 | C41 | C51 | 110.2° | 109.0° |
| C31 | C41 | H41 | 110.0° | 109.5° |
| O41 | C41 | C51 | 111.1° | 109.6° |
| O41 | C41 | H41 | 109.0° | 109.5° |
| C41 | O41 | HO41 | 108.9° | 106.8° |
| C51 | C41 | H41 | 107.7° | 109.6° |
| C41 | C51 | O51 | 107.9° | 109.8° |
| C41 | C51 | C61 | 111.3° | 109.3° |
| C41 | C51 | H51 | 109.3° | 109.5° |
| O51 | C51 | C61 | 109.8° | 109.4° |
| O51 | C51 | H51 | 111.0° | 109.4° |
| C61 | C51 | H51 | 107.5° | 109.3° |
| C51 | C61 | O61 | 112.1° | 109.5° |
| C51 | C61 | H611 | 111.2° | 109.5° |
| C51 | C61 | H612 | 111.3° | 109.5° |
| O61 | C61 | H611 | 111.3° | 109.5° |
| O61 | C61 | H612 | 111.2° | 109.4° |
| C61 | O61 | HO61 | 112.0° | 106.8° |
| H611 | C61 | H612 | 99.0° | 109.4° |
| N12 | C12 | C22 | 107.3° | 109.5° |
| N12 | C12 | C62 | 113.1° | 109.5° |
| N12 | C12 | H12 | 107.8° | 109.4° |
| C12 | N12 | H121 | 107.2° | 106.7° |
| C12 | N12 | H122 | 113.0° | 106.7° |
| C22 | C12 | C62 | 107.2° | 109.5° |
| C22 | C12 | H12 | 113.6° | 109.5° |
| C12 | C22 | C32 | 110.2° | 109.5° |
| C12 | C22 | H221 | 112.0° | 109.5° |
| C12 | C22 | H222 | 112.0° | 109.5° |
| C62 | C12 | H12 | 107.9° | 109.4° |
| C12 | C62 | C52 | 111.8° | 109.5° |
| C12 | C62 | O62 | 111.0° | 109.5° |
| C12 | C62 | H62 | 105.9° | 109.5° |
| H121 | N12 | H122 | 113.1° | 106.6° |
| C32 | C22 | H221 | 111.9° | 109.5° |
| C32 | C22 | H222 | 111.9° | 109.5° |
| C22 | C32 | N32 | 107.0° | 109.5° |
| C22 | C32 | C42 | 113.7° | 109.5° |
| C22 | C32 | H32 | 109.1° | 109.5° |
| H221 | C22 | H222 | 98.5° | 109.4° |
| N32 | C32 | C42 | 111.6° | 109.5° |
| N32 | C32 | H32 | 111.3° | 109.5° |
| C32 | N32 | H321 | 107.0° | 106.7° |
| C32 | N32 | H322 | 113.2° | 106.7° |
| C42 | C32 | H32 | 104.2° | 109.4° |
| C32 | C42 | C52 | 110.4° | 109.5° |
| C32 | C42 | H42 | 108.4° | 109.4° |
| H321 | N32 | H322 | 113.1° | 106.7° |
| C52 | C42 | H42 | 110.0° | 109.5° |
| C42 | C52 | O52 | 109.1° | 109.5° |
| C42 | C52 | C62 | 111.8° | 109.4° |
| C42 | C52 | H52 | 107.8° | 109.4° |
| O52 | C52 | C62 | 108.5° | 109.5° |
| O52 | C52 | H52 | 111.2° | 109.5° |
| C52 | O52 | C13 | 117.9° | 106.9° |
| C62 | C52 | H52 | 108.5° | 109.4° |
| C52 | C62 | O62 | 106.6° | 109.4° |
| C52 | C62 | H62 | 110.3° | 109.5° |
| O52 | C13 | C23 | 111.9° | 110.4° |
| O52 | C13 | O43 | 109.7° | 110.5° |
| O52 | C13 | H13 | 106.6° | 110.4° |
| O62 | C62 | H62 | 111.2° | 109.4° |
| C62 | O62 | HO62 | 111.0° | 106.8° |
| C23 | C13 | O43 | 106.1° | 104.8° |
| C23 | C13 | H13 | 110.2° | 110.3° |
| C13 | C23 | O23 | 110.9° | 110.6° |
| C13 | C23 | C33 | 104.2° | 104.1° |
| C13 | C23 | H23 | 115.4° | 110.5° |
| O43 | C13 | H13 | 112.3° | 110.3° |
| C13 | O43 | C43 | 110.5° | 105.4° |
| O23 | C23 | C33 | 117.9° | 110.5° |
| O23 | C23 | H23 | 100.9° | 110.5° |
| C23 | O23 | HO23 | 110.9° | 106.8° |
| C33 | C23 | H23 | 108.0° | 110.5° |
| C23 | C33 | O33 | 113.9° | 110.6° |
| C23 | C33 | C43 | 104.2° | 104.2° |
| C23 | C33 | H33 | 108.9° | 110.5° |
| O33 | C33 | C43 | 105.5° | 110.5° |
| O33 | C33 | H33 | 107.7° | 110.4° |
| C33 | O33 | C14 | 113.5° | 106.8° |
| C43 | C33 | H33 | 116.8° | 110.5° |
| C33 | C43 | O43 | 106.8° | 104.7° |
| C33 | C43 | C53 | 114.9° | 110.7° |
| C33 | C43 | H43 | 108.1° | 110.3° |
| O33 | C14 | C24 | 114.0° | 109.3° |
| O33 | C14 | O54 | 112.2° | 109.5° |
| O33 | C14 | H14 | 104.5° | 109.4° |
| O43 | C43 | C53 | 110.5° | 110.4° |
| O43 | C43 | H43 | 112.6° | 110.3° |
| C53 | C43 | H43 | 104.1° | 110.3° |
| C43 | C53 | O53 | 106.2° | 109.5° |
| C43 | C53 | H531 | 113.4° | 109.5° |
| C43 | C53 | H532 | 113.5° | 109.4° |
| O53 | C53 | H531 | 113.4° | 109.5° |
| O53 | C53 | H532 | 113.4° | 109.4° |
| C53 | O53 | HO53 | 106.3° | 106.8° |
| H531 | C53 | H532 | 97.0° | 109.5° |
| C24 | C14 | O54 | 110.3° | 109.8° |
| C24 | C14 | H14 | 106.7° | 109.4° |
| C14 | C24 | N24 | 112.8° | 109.6° |
| C14 | C24 | C34 | 111.1° | 109.0° |
| C14 | C24 | H24 | 107.0° | 109.6° |
| O54 | C14 | H14 | 108.7° | 109.4° |
| C14 | O54 | C54 | 120.0° | 107.7° |
| N24 | C24 | C34 | 112.3° | 109.6° |
| N24 | C24 | H24 | 105.7° | 109.5° |
| C24 | N24 | H241 | 112.7° | 106.7° |
| C24 | N24 | H242 | 111.0° | 106.7° |
| C34 | C24 | H24 | 107.6° | 109.5° |
| C24 | C34 | O34 | 107.7° | 109.6° |
| C24 | C34 | C44 | 110.2° | 108.6° |
| C24 | C34 | H34 | 109.8° | 109.6° |
| H241 | N24 | H242 | 111.1° | 106.7° |
| O34 | C34 | C44 | 108.5° | 109.8° |
| O34 | C34 | H34 | 111.5° | 109.6° |
| C34 | O34 | HO34 | 107.7° | 106.8° |
| C44 | C34 | H34 | 109.0° | 109.7° |
| C34 | C44 | O44 | 112.3° | 109.5° |
| C34 | C44 | C54 | 109.6° | 109.0° |
| C34 | C44 | H44 | 106.9° | 109.5° |
| O44 | C44 | C54 | 107.7° | 109.7° |
| O44 | C44 | H44 | 108.9° | 109.5° |
| C44 | O44 | HO44 | 112.3° | 106.8° |
| C54 | C44 | H44 | 111.5° | 109.5° |
| C44 | C54 | O54 | 108.1° | 109.7° |
| C44 | C54 | C64 | 111.9° | 109.4° |
| C44 | C54 | H54 | 109.6° | 109.4° |
| O54 | C54 | C64 | 112.0° | 109.5° |
| O54 | C54 | H54 | 109.5° | 109.4° |
| C64 | C54 | H54 | 105.6° | 109.4° |
| C54 | C64 | N64 | 111.3° | 109.4° |
| C54 | C64 | H641 | 111.5° | 109.5° |
| C54 | C64 | H642 | 111.5° | 109.4° |
| N64 | C64 | H641 | 111.5° | 109.4° |
| N64 | C64 | H642 | 111.5° | 109.5° |
| C64 | N64 | HN61 | 111.3° | 106.7° |
| C64 | N64 | HN62 | 111.6° | 106.8° |
| H641 | C64 | H642 | 98.9° | 109.5° |
| HN61 | N64 | HN62 | 111.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C11 | C21 | O51 | 123.3° | 120.1° |
| O11 | C11 | C21 | H11 | 118.0° | 119.8° |
| O11 | C11 | O51 | H11 | 117.9° | 119.8° |
| O11 | C11 | C21 | N21 | 54.1° | 61.1° |
| O11 | C11 | C21 | C31 | 68.5° | 58.8° |
| O11 | C11 | C21 | H21 | 172.2° | 178.7° |
| O11 | C11 | O51 | C51 | 64.8° | 52.6° |
| C11 | O11 | C42 | C32 | 156.4° | 150.5° |
| C11 | O11 | C42 | C52 | 83.6° | 89.5° |
| C11 | O11 | C42 | H42 | 36.9° | 30.5° |
| C21 | C11 | O51 | H11 | 119.7° | 120.1° |
| C21 | C11 | O11 | C42 | 162.1° | 166.0° |
| C11 | C21 | N21 | C31 | 122.0° | 119.6° |
| C11 | C21 | N21 | H21 | 118.8° | 120.2° |
| C11 | C21 | C31 | H21 | 118.9° | 119.8° |
| C11 | C21 | N21 | HN21 | 180.0° | 60.4° |
| C11 | C21 | N21 | HN22 | 54.7° | 174.2° |
| C11 | C21 | C31 | O31 | 179.0° | 173.6° |
| C11 | C21 | C31 | C41 | 57.9° | 53.7° |
| C11 | C21 | C31 | H31 | 62.0° | 66.0° |
| C21 | C11 | O51 | C51 | 57.6° | 67.5° |
| O51 | C11 | O11 | C42 | 76.2° | 73.7° |
| O51 | C11 | C21 | N21 | 177.4° | 178.8° |
| O51 | C11 | C21 | C31 | 54.8° | 61.3° |
| O51 | C11 | C21 | H21 | 64.4° | 58.6° |
| C11 | O51 | C51 | C41 | 56.9° | 67.6° |
| C11 | O51 | C51 | C61 | 178.4° | 172.4° |
| C11 | O51 | C51 | H51 | 62.9° | 52.6° |
| H11 | C11 | O11 | C42 | 42.3° | 46.2° |
| H11 | C11 | C21 | N21 | 63.9° | 58.7° |
| H11 | C11 | C21 | C31 | 173.5° | 178.7° |
| H11 | C11 | C21 | H21 | 54.3° | 61.5° |
| H11 | C11 | O51 | C51 | 177.3° | 172.4° |
| O11 | C42 | C32 | C22 | 168.6° | 180.0° |
| O11 | C42 | C32 | N32 | 70.3° | 60.0° |
| O11 | C42 | C32 | C52 | 118.3° | 120.0° |
| O11 | C42 | C32 | H42 | 121.2° | 120.0° |
| O11 | C42 | C32 | H32 | 49.9° | 60.0° |
| O11 | C42 | C52 | H42 | 121.1° | 120.0° |
| O11 | C42 | C52 | O52 | 69.4° | 60.0° |
| O11 | C42 | C52 | C62 | 170.5° | 180.0° |
| O11 | C42 | C52 | H52 | 51.4° | 60.1° |
| N21 | C21 | C31 | H21 | 118.2° | 120.2° |
| C21 | N21 | HN21 | HN22 | 125.2° | 113.8° |
| N21 | C21 | C31 | O31 | 58.0° | 66.5° |
| N21 | C21 | C31 | C41 | 179.2° | 173.7° |
| N21 | C21 | C31 | H31 | 61.0° | 53.9° |
| C31 | C21 | N21 | HN21 | 58.0° | 180.0° |
| C31 | C21 | N21 | HN22 | 176.8° | 66.2° |
| C21 | C31 | O31 | C41 | 121.8° | 119.2° |
| C21 | C31 | O31 | H31 | 118.4° | 120.4° |
| C21 | C31 | C41 | H31 | 118.4° | 119.8° |
| C21 | C31 | O31 | HO31 | 180.0° | 179.3° |
| C21 | C31 | C41 | O41 | 179.7° | 173.6° |
| C21 | C31 | C41 | C51 | 58.2° | 53.7° |
| C21 | C31 | C41 | H41 | 60.3° | 66.1° |
| H21 | C21 | N21 | HN21 | 61.2° | 59.8° |
| H21 | C21 | N21 | HN22 | 64.1° | 54.0° |
| H21 | C21 | C31 | O31 | 60.1° | 53.7° |
| H21 | C21 | C31 | C41 | 61.0° | 66.1° |
| H21 | C21 | C31 | H31 | 179.1° | 174.2° |
| O31 | C31 | C41 | H31 | 119.1° | 120.4° |
| O31 | C31 | C41 | O41 | 57.2° | 66.5° |
| O31 | C31 | C41 | C51 | 179.3° | 173.6° |
| O31 | C31 | C41 | H41 | 62.2° | 53.8° |
| C41 | C31 | O31 | HO31 | 58.2° | 60.0° |
| C31 | C41 | O41 | C51 | 121.6° | 119.6° |
| C31 | C41 | O41 | H41 | 120.0° | 120.2° |
| C31 | C41 | C51 | H41 | 119.9° | 119.8° |
| C31 | C41 | O41 | HO41 | 179.9° | 179.6° |
| C31 | C41 | C51 | O51 | 54.9° | 61.3° |
| C31 | C41 | C51 | C61 | 175.5° | 178.7° |
| C31 | C41 | C51 | H51 | 65.9° | 58.9° |
| H31 | C31 | O31 | HO31 | 61.6° | 60.3° |
| H31 | C31 | C41 | O41 | 61.9° | 53.9° |
| H31 | C31 | C41 | C51 | 60.3° | 66.0° |
| H31 | C31 | C41 | H41 | 178.8° | 174.1° |
| O41 | C41 | C51 | H41 | 119.3° | 120.2° |
| O41 | C41 | C51 | O51 | 175.7° | 178.8° |
| O41 | C41 | C51 | C61 | 63.7° | 58.7° |
| O41 | C41 | C51 | H51 | 54.9° | 61.1° |
| C51 | C41 | O41 | HO41 | 58.5° | 60.0° |
| C41 | C51 | O51 | C61 | 121.5° | 120.0° |
| C41 | C51 | O51 | H51 | 119.8° | 120.3° |
| C41 | C51 | C61 | H51 | 119.7° | 119.9° |
| C41 | C51 | C61 | O61 | 179.1° | 178.9° |
| C41 | C51 | C61 | H611 | 53.8° | 61.1° |
| C41 | C51 | C61 | H612 | 55.6° | 58.9° |
| H41 | C41 | O41 | HO41 | 60.0° | 60.2° |
| H41 | C41 | C51 | O51 | 65.0° | 58.6° |
| H41 | C41 | C51 | C61 | 55.6° | 61.5° |
| H41 | C41 | C51 | H51 | 174.2° | 178.7° |
| O51 | C51 | C61 | H51 | 120.8° | 119.8° |
| O51 | C51 | C61 | O61 | 61.4° | 58.6° |
| O51 | C51 | C61 | H611 | 173.3° | 178.6° |
| O51 | C51 | C61 | H612 | 63.9° | 61.4° |
| C51 | C61 | O61 | H611 | 125.3° | 120.1° |
| C51 | C61 | O61 | H612 | 125.3° | 120.0° |
| C51 | C61 | H611 | H612 | 117.1° | 120.0° |
| C51 | C61 | O61 | HO61 | 180.0° | 175.5° |
| H51 | C51 | C61 | O61 | 59.4° | 61.2° |
| H51 | C51 | C61 | H611 | 65.9° | 58.8° |
| H51 | C51 | C61 | H612 | 175.3° | 178.9° |
| O61 | C61 | H611 | H612 | 117.1° | 119.9° |
| H611 | C61 | O61 | HO61 | 54.7° | 64.4° |
| H612 | C61 | O61 | HO61 | 54.7° | 55.5° |
| N12 | C12 | C22 | C62 | 121.8° | 120.0° |
| N12 | C12 | C22 | H12 | 119.1° | 120.0° |
| N12 | C12 | C62 | H12 | 119.2° | 119.9° |
| C12 | N12 | H121 | H122 | 125.2° | 113.7° |
| N12 | C12 | C22 | C32 | 179.5° | 180.0° |
| N12 | C12 | C22 | H221 | 55.3° | 60.0° |
| N12 | C12 | C22 | H222 | 54.2° | 60.0° |
| N12 | C12 | C62 | C52 | 179.9° | 180.0° |
| N12 | C12 | C62 | O62 | 61.2° | 59.9° |
| N12 | C12 | C62 | H62 | 59.6° | 60.0° |
| C22 | C12 | C62 | H12 | 122.8° | 120.0° |
| C22 | C12 | N12 | H121 | 180.0° | 60.0° |
| C22 | C12 | N12 | H122 | 54.8° | 53.7° |
| C12 | C22 | C32 | H221 | 125.3° | 120.0° |
| C12 | C22 | C32 | H222 | 125.3° | 120.0° |
| C12 | C22 | H221 | H222 | 117.9° | 120.0° |
| C12 | C22 | C32 | N32 | 179.2° | 180.0° |
| C12 | C22 | C32 | C42 | 55.5° | 60.0° |
| C12 | C22 | C32 | H32 | 60.3° | 60.0° |
| C22 | C12 | C62 | C52 | 61.8° | 60.0° |
| C22 | C12 | C62 | O62 | 179.2° | 180.0° |
| C22 | C12 | C62 | H62 | 58.4° | 60.0° |
| C62 | C12 | N12 | H121 | 62.0° | 180.0° |
| C62 | C12 | N12 | H122 | 63.3° | 66.3° |
| C62 | C12 | C22 | C32 | 58.8° | 60.0° |
| C62 | C12 | C22 | H221 | 66.5° | 60.0° |
| C62 | C12 | C22 | H222 | 176.0° | 180.0° |
| C12 | C62 | C52 | C42 | 59.1° | 59.9° |
| C12 | C62 | C52 | O52 | 179.5° | 180.0° |
| C12 | C62 | C52 | O62 | 121.5° | 120.0° |
| C12 | C62 | C52 | H62 | 117.6° | 120.0° |
| C12 | C62 | C52 | H52 | 59.6° | 60.0° |
| C12 | C62 | O62 | H62 | 117.6° | 120.0° |
| C12 | C62 | O62 | HO62 | 180.0° | 60.0° |
| H12 | C12 | N12 | H121 | 57.2° | 60.1° |
| H12 | C12 | N12 | H122 | 177.5° | 173.7° |
| H12 | C12 | C22 | C32 | 60.4° | 60.0° |
| H12 | C12 | C22 | H221 | 174.4° | 180.0° |
| H12 | C12 | C22 | H222 | 64.9° | 60.0° |
| H12 | C12 | C62 | C52 | 60.9° | 60.0° |
| H12 | C12 | C62 | O62 | 58.0° | 60.0° |
| H12 | C12 | C62 | H62 | 178.8° | 180.0° |
| C32 | C22 | H221 | H222 | 117.8° | 120.0° |
| C22 | C32 | N32 | C42 | 125.0° | 120.0° |
| C22 | C32 | N32 | H32 | 119.1° | 120.0° |
| C22 | C32 | C42 | H32 | 118.7° | 120.0° |
| C22 | C32 | N32 | H321 | 180.0° | 54.9° |
| C22 | C32 | N32 | H322 | 54.8° | 168.6° |
| C22 | C32 | C42 | C52 | 50.3° | 60.0° |
| C22 | C32 | C42 | H42 | 70.3° | 60.0° |
| H221 | C22 | C32 | N32 | 53.9° | 60.0° |
| H221 | C22 | C32 | C42 | 69.8° | 60.0° |
| H221 | C22 | C32 | H32 | 174.4° | 180.0° |
| H222 | C22 | C32 | N32 | 55.5° | 60.0° |
| H222 | C22 | C32 | C42 | 179.2° | 180.0° |
| H222 | C22 | C32 | H32 | 65.0° | 60.0° |
| N32 | C32 | C42 | H32 | 120.2° | 120.0° |
| C32 | N32 | H321 | H322 | 125.3° | 113.8° |
| N32 | C32 | C42 | C52 | 171.5° | 180.0° |
| N32 | C32 | C42 | H42 | 50.9° | 60.0° |
| C42 | C32 | N32 | H321 | 55.0° | 174.9° |
| C42 | C32 | N32 | H322 | 179.8° | 71.4° |
| C32 | C42 | C52 | H42 | 119.6° | 120.0° |
| C32 | C42 | C52 | O52 | 171.3° | 180.0° |
| C32 | C42 | C52 | C62 | 51.2° | 59.9° |
| C32 | C42 | C52 | H52 | 67.9° | 59.9° |
| H32 | C32 | N32 | H321 | 60.9° | 65.1° |
| H32 | C32 | N32 | H322 | 64.3° | 48.6° |
| H32 | C32 | C42 | C52 | 68.3° | 60.0° |
| H32 | C32 | C42 | H42 | 171.1° | NaN° |
| C42 | C52 | O52 | C62 | 122.1° | 120.0° |
| C42 | C52 | O52 | H52 | 118.7° | 120.0° |
| C42 | C52 | C62 | H52 | 118.7° | 119.9° |
| C42 | C52 | O52 | C13 | 136.0° | 150.0° |
| C42 | C52 | C62 | O62 | 179.4° | 180.0° |
| C42 | C52 | C62 | H62 | 58.5° | 60.1° |
| H42 | C42 | C52 | O52 | 51.7° | 60.0° |
| H42 | C42 | C52 | C62 | 68.3° | 60.0° |
| H42 | C42 | C52 | H52 | 172.5° | 179.9° |
| O52 | C52 | C62 | H52 | 120.9° | 120.0° |
| O52 | C52 | C62 | O62 | 59.0° | 60.0° |
| O52 | C52 | C62 | H62 | 61.9° | 60.0° |
| C52 | O52 | C13 | C23 | 149.2° | 180.0° |
| C52 | O52 | C13 | O43 | 93.3° | 64.5° |
| C52 | O52 | C13 | H13 | 28.6° | 57.7° |
| C62 | C52 | O52 | C13 | 101.9° | 90.0° |
| C52 | C62 | O62 | H62 | 120.3° | 119.9° |
| C52 | C62 | O62 | HO62 | 57.9° | 180.0° |
| H52 | C52 | O52 | C13 | 17.3° | 30.0° |
| H52 | C52 | C62 | O62 | 61.9° | 60.1° |
| H52 | C52 | C62 | H62 | 177.2° | 180.0° |
| O52 | C13 | C23 | O43 | 119.7° | 119.0° |
| O52 | C13 | C23 | H13 | 118.5° | 122.3° |
| O52 | C13 | O43 | H13 | 118.4° | 122.3° |
| O52 | C13 | C23 | O23 | 83.4° | 98.4° |
| O52 | C13 | C23 | C33 | 148.8° | 142.9° |
| O52 | C13 | C23 | H23 | 30.5° | 24.2° |
| O52 | C13 | O43 | C43 | 144.7° | 159.3° |
| H62 | C62 | O62 | HO62 | 62.4° | 60.0° |
| C23 | C13 | O43 | H13 | 120.5° | 118.7° |
| C13 | C23 | O23 | C33 | 119.9° | 114.7° |
| C13 | C23 | O23 | H23 | 122.8° | 122.6° |
| C13 | C23 | C33 | H23 | 123.2° | 118.6° |
| C13 | C23 | O23 | HO23 | 180.0° | 65.2° |
| C13 | C23 | C33 | O33 | 90.4° | 118.7° |
| C13 | C23 | C33 | C43 | 24.0° | 0.1° |
| C13 | C23 | C33 | H33 | 149.4° | 118.8° |
| C23 | C13 | O43 | C43 | 23.6° | 40.4° |
| O43 | C13 | C23 | O23 | 156.9° | 142.6° |
| O43 | C13 | C23 | C33 | 29.1° | 23.9° |
| O43 | C13 | C23 | H23 | 89.2° | 94.7° |
| C13 | O43 | C43 | C33 | 7.7° | 40.3° |
| C13 | O43 | C43 | C53 | 133.3° | 159.5° |
| C13 | O43 | C43 | H43 | 110.8° | 78.4° |
| H13 | C13 | C23 | O23 | 35.0° | 23.9° |
| H13 | C13 | C23 | C33 | 92.8° | 94.8° |
| H13 | C13 | C23 | H23 | 149.0° | 146.5° |
| H13 | C13 | O43 | C43 | 96.9° | 78.4° |
| O23 | C23 | C33 | H23 | 113.4° | 122.6° |
| O23 | C23 | C33 | O33 | 33.0° | 0.1° |
| O23 | C23 | C33 | C43 | 147.4° | 118.8° |
| O23 | C23 | C33 | H33 | 87.2° | 122.4° |
| C33 | C23 | O23 | HO23 | 60.1° | 180.0° |
| C23 | C33 | O33 | C43 | 113.7° | 114.8° |
| C23 | C33 | O33 | H33 | 120.9° | 122.6° |
| C23 | C33 | C43 | H33 | 120.2° | 118.7° |
| C23 | C33 | O33 | C14 | 89.0° | 93.3° |
| C23 | C33 | C43 | O43 | 10.5° | 23.8° |
| C23 | C33 | C43 | C53 | 112.4° | 142.7° |
| C23 | C33 | C43 | H43 | 131.9° | 94.9° |
| H23 | C23 | O23 | HO23 | 57.2° | 57.4° |
| H23 | C23 | C33 | O33 | 146.4° | 122.7° |
| H23 | C23 | C33 | C43 | 99.2° | 118.6° |
| H23 | C23 | C33 | H33 | 26.1° | 0.2° |
| O33 | C33 | C43 | H33 | 119.6° | 122.5° |
| O33 | C33 | C43 | O43 | 109.8° | 142.5° |
| O33 | C33 | C43 | C53 | 127.3° | 98.5° |
| O33 | C33 | C43 | H43 | 11.6° | 23.8° |
| C33 | O33 | C14 | C24 | 126.5° | 179.7° |
| C33 | O33 | C14 | O54 | 107.2° | 60.0° |
| C33 | O33 | C14 | H14 | 10.4° | 59.9° |
| C43 | C33 | O33 | C14 | 157.3° | 151.9° |
| C33 | C43 | O43 | C53 | 125.5° | 119.2° |
| C33 | C43 | O43 | H43 | 118.5° | 118.7° |
| C33 | C43 | C53 | H43 | 118.0° | 122.4° |
| C33 | C43 | C53 | O53 | 164.0° | 176.8° |
| C33 | C43 | C53 | H531 | 38.8° | 63.1° |
| C33 | C43 | C53 | H532 | 70.7° | 56.9° |
| H33 | C33 | O33 | C14 | 31.9° | 29.3° |
| H33 | C33 | C43 | O43 | 130.6° | 94.9° |
| H33 | C33 | C43 | C53 | 7.8° | 24.0° |
| H33 | C33 | C43 | H43 | 107.9° | 146.3° |
| O33 | C14 | C24 | O54 | 127.2° | 120.1° |
| O33 | C14 | C24 | H14 | 114.9° | 119.8° |
| O33 | C14 | O54 | H14 | 115.1° | 119.9° |
| O33 | C14 | C24 | N24 | 48.5° | 61.4° |
| O33 | C14 | C24 | C34 | 78.5° | 178.6° |
| O33 | C14 | C24 | H24 | 164.4° | 58.8° |
| O33 | C14 | O54 | C54 | 81.3° | 172.4° |
| O43 | C43 | C53 | H43 | 121.2° | 122.2° |
| O43 | C43 | C53 | O53 | 75.1° | 61.3° |
| O43 | C43 | C53 | H531 | 159.6° | 178.6° |
| O43 | C43 | C53 | H532 | 50.1° | 58.6° |
| C43 | C53 | O53 | H531 | 125.3° | 120.1° |
| C43 | C53 | O53 | H532 | 125.3° | 119.9° |
| C43 | C53 | H531 | H532 | 119.4° | 119.9° |
| C43 | C53 | O53 | HO53 | 180.0° | 180.0° |
| H43 | C43 | C53 | O53 | 46.1° | 60.8° |
| H43 | C43 | C53 | H531 | 79.2° | 59.3° |
| H43 | C43 | C53 | H532 | 171.3° | 179.2° |
| O53 | C53 | H531 | H532 | 119.3° | 120.0° |
| H531 | C53 | O53 | HO53 | 54.7° | 59.9° |
| H532 | C53 | O53 | HO53 | 54.7° | 60.1° |
| C24 | C14 | O54 | H14 | 116.7° | 120.1° |
| C14 | C24 | N24 | C34 | 126.4° | 119.6° |
| C14 | C24 | N24 | H24 | 116.6° | 120.2° |
| C14 | C24 | C34 | H24 | 116.8° | 119.9° |
| C14 | C24 | N24 | H241 | 180.0° | 60.0° |
| C14 | C24 | N24 | H242 | 54.7° | 173.7° |
| C14 | C24 | C34 | O34 | 177.4° | 66.2° |
| C14 | C24 | C34 | C44 | 59.2° | 53.8° |
| C14 | C24 | C34 | H34 | 60.9° | 173.5° |
| C24 | C14 | O54 | C54 | 46.9° | 67.6° |
| O54 | C14 | C24 | N24 | 175.8° | 58.7° |
| O54 | C14 | C24 | C34 | 48.8° | 61.3° |
| O54 | C14 | C24 | H24 | 68.4° | 178.9° |
| C14 | O54 | C54 | C44 | 50.2° | 67.6° |
| C14 | O54 | C54 | C64 | 73.6° | 172.3° |
| C14 | O54 | C54 | H54 | 169.6° | 52.4° |
| H14 | C14 | C24 | N24 | 66.3° | 178.8° |
| H14 | C14 | C24 | C34 | 166.7° | 58.8° |
| H14 | C14 | C24 | H24 | 49.5° | 61.1° |
| H14 | C14 | O54 | C54 | 163.6° | 52.5° |
| N24 | C24 | C34 | H24 | 115.9° | 120.2° |
| C24 | N24 | H241 | H242 | 125.3° | 113.7° |
| N24 | C24 | C34 | O34 | 55.3° | 173.9° |
| N24 | C24 | C34 | C44 | 173.5° | 66.2° |
| N24 | C24 | C34 | H34 | 66.3° | 53.6° |
| C34 | C24 | N24 | H241 | 53.6° | 179.6° |
| C34 | C24 | N24 | H242 | 179.0° | 66.7° |
| C24 | C34 | O34 | C44 | 119.3° | 119.2° |
| C24 | C34 | O34 | H34 | 120.6° | 120.3° |
| C24 | C34 | C44 | H34 | 120.6° | 119.7° |
| C24 | C34 | O34 | HO34 | 180.0° | 180.0° |
| C24 | C34 | C44 | O44 | 177.4° | 66.3° |
| C24 | C34 | C44 | C54 | 63.0° | 53.8° |
| C24 | C34 | C44 | H44 | 58.1° | 173.6° |
| H24 | C24 | N24 | H241 | 63.4° | 60.2° |
| H24 | C24 | N24 | H242 | 61.9° | 53.5° |
| H24 | C24 | C34 | O34 | 60.6° | 53.7° |
| H24 | C24 | C34 | C44 | 57.6° | 173.6° |
| H24 | C24 | C34 | H34 | 177.8° | 66.6° |
| O34 | C34 | C44 | H34 | 121.6° | 120.5° |
| O34 | C34 | C44 | O44 | 59.6° | 173.9° |
| O34 | C34 | C44 | C54 | 179.3° | 66.0° |
| O34 | C34 | C44 | H44 | 59.7° | 53.8° |
| C44 | C34 | O34 | HO34 | 60.6° | 60.9° |
| C34 | C44 | O44 | C54 | 120.8° | 119.7° |
| C34 | C44 | O44 | H44 | 118.2° | 120.1° |
| C34 | C44 | C54 | H44 | 118.2° | 119.8° |
| C34 | C44 | O44 | HO44 | 179.9° | 60.0° |
| C34 | C44 | C54 | O54 | 55.3° | 61.3° |
| C34 | C44 | C54 | C64 | 68.5° | 178.5° |
| C34 | C44 | C54 | H54 | 174.7° | 58.7° |
| H34 | C34 | O34 | HO34 | 59.5° | 59.7° |
| H34 | C34 | C44 | O44 | 62.0° | 53.4° |
| H34 | C34 | C44 | C54 | 57.6° | 173.5° |
| H34 | C34 | C44 | H44 | 178.6° | 66.7° |
| O44 | C44 | C54 | H44 | 119.4° | 120.2° |
| O44 | C44 | C54 | O54 | 177.8° | 58.6° |
| O44 | C44 | C54 | C64 | 54.0° | 61.5° |
| O44 | C44 | C54 | H54 | 62.9° | 178.7° |
| C54 | C44 | O44 | HO44 | 59.2° | 179.6° |
| C44 | C54 | O54 | C64 | 123.8° | 120.1° |
| C44 | C54 | O54 | H54 | 119.4° | 120.1° |
| C44 | C54 | C64 | H54 | 119.2° | 119.8° |
| C44 | C54 | C64 | N64 | 172.9° | 179.8° |
| C44 | C54 | C64 | H641 | 61.9° | 59.8° |
| C44 | C54 | C64 | H642 | 47.6° | 60.1° |
| H44 | C44 | O44 | HO44 | 61.9° | 60.1° |
| H44 | C44 | C54 | O54 | 62.9° | 178.9° |
| H44 | C44 | C54 | C64 | 173.3° | 58.7° |
| H44 | C44 | C54 | H54 | 56.5° | 61.1° |
| O54 | C54 | C64 | H54 | 119.1° | 119.9° |
| O54 | C54 | C64 | N64 | 65.5° | 59.9° |
| O54 | C54 | C64 | H641 | 59.7° | 179.9° |
| O54 | C54 | C64 | H642 | 169.3° | 60.1° |
| C54 | C64 | N64 | H641 | 125.3° | 120.0° |
| C54 | C64 | N64 | H642 | 125.3° | 120.0° |
| C54 | C64 | H641 | H642 | 117.5° | 120.0° |
| C54 | C64 | N64 | HN61 | 180.0° | 180.0° |
| C54 | C64 | N64 | HN62 | 54.8° | 66.2° |
| H54 | C54 | C64 | N64 | 53.7° | 60.0° |
| H54 | C54 | C64 | H641 | 178.9° | 60.0° |
| H54 | C54 | C64 | H642 | 71.6° | 180.0° |
| N64 | C64 | H641 | H642 | 117.4° | 120.0° |
| C64 | N64 | HN61 | HN62 | 125.3° | 113.9° |
| H641 | C64 | N64 | HN61 | 54.8° | 60.0° |
| H641 | C64 | N64 | HN62 | 70.5° | 53.8° |
| H642 | C64 | N64 | HN61 | 54.7° | 60.0° |
| H642 | C64 | N64 | HN62 | 180.0° | 173.8° |
