TOY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O11 | sing | 1.43Å | 1.40Å | |
| C11 | C21 | sing | 1.53Å | 1.55Å | |
| C11 | O51 | sing | 1.43Å | 1.46Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| O11 | C42 | sing | 1.43Å | 1.45Å | |
| C21 | N21 | sing | 1.47Å | 1.48Å | |
| C21 | C31 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| N21 | HN21 | sing | 1.01Å | 1.02Å | |
| N21 | HN22 | sing | 1.01Å | 1.02Å | |
| C31 | C41 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C41 | O41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.55Å | |
| C41 | H41 | sing | 1.09Å | 1.12Å | |
| O41 | H41O | sing | 0.97Å | 0.95Å | |
| C51 | O51 | sing | 1.43Å | 1.46Å | |
| C51 | C61 | sing | 1.53Å | 1.53Å | |
| C51 | H51 | sing | 1.09Å | 1.11Å | |
| C61 | N61 | sing | 1.47Å | 1.48Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.11Å | |
| N61 | HN61 | sing | 1.01Å | 1.02Å | |
| N61 | HN62 | sing | 1.01Å | 1.02Å | |
| C12 | N12 | sing | 1.47Å | 1.48Å | |
| C12 | C22 | sing | 1.53Å | 1.53Å | |
| C12 | C62 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| N12 | HN11 | sing | 1.01Å | 1.02Å | |
| N12 | HN12 | sing | 1.01Å | 1.02Å | |
| C22 | C32 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C32 | N32 | sing | 1.47Å | 1.49Å | |
| C32 | C42 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.12Å | |
| N32 | HN1 | sing | 1.01Å | 1.02Å | |
| N32 | HN2 | sing | 1.01Å | 1.02Å | |
| C42 | C52 | sing | 1.53Å | 1.56Å | |
| C42 | H42 | sing | 1.09Å | 1.12Å | |
| C52 | O52 | sing | 1.43Å | 1.42Å | |
| C52 | C62 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.09Å | 1.11Å | |
| O52 | H52O | sing | 0.97Å | 0.95Å | |
| C62 | O62 | sing | 1.43Å | 1.45Å | |
| C62 | H62 | sing | 1.09Å | 1.12Å | |
| O62 | C13 | sing | 1.43Å | 1.40Å | |
| C13 | C23 | sing | 1.53Å | 1.54Å | |
| C13 | O53 | sing | 1.43Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C23 | O23 | sing | 1.43Å | 1.42Å | |
| C23 | C33 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O23 | H23O | sing | 0.97Å | 0.95Å | |
| C33 | N33 | sing | 1.47Å | 1.48Å | |
| C33 | C43 | sing | 1.53Å | 1.54Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| N33 | HN31 | sing | 1.01Å | 1.02Å | |
| N33 | HN32 | sing | 1.01Å | 1.02Å | |
| C43 | O43 | sing | 1.43Å | 1.43Å | |
| C43 | C53 | sing | 1.53Å | 1.55Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| O43 | H43O | sing | 0.97Å | 0.95Å | |
| C53 | O53 | sing | 1.43Å | 1.48Å | |
| C53 | C63 | sing | 1.53Å | 1.52Å | |
| C53 | H53 | sing | 1.09Å | 1.12Å | |
| C63 | O63 | sing | 1.43Å | 1.42Å | |
| C63 | H631 | sing | 1.09Å | 1.12Å | |
| C63 | H632 | sing | 1.09Å | 1.12Å | |
| O63 | H63O | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C11 | C21 | 110.1° | 109.4° |
| O11 | C11 | O51 | 108.4° | 109.4° |
| O11 | C11 | H11 | 110.4° | 109.4° |
| C11 | O11 | C42 | 117.8° | 106.8° |
| C21 | C11 | O51 | 111.1° | 109.8° |
| C21 | C11 | H11 | 107.6° | 109.4° |
| C11 | C21 | N21 | 112.8° | 109.5° |
| C11 | C21 | C31 | 110.9° | 109.0° |
| C11 | C21 | H21 | 106.7° | 109.6° |
| O51 | C11 | H11 | 109.3° | 109.5° |
| C11 | O51 | C51 | 114.7° | 107.7° |
| O11 | C42 | C32 | 108.5° | 109.5° |
| O11 | C42 | C52 | 109.4° | 109.5° |
| O11 | C42 | H42 | 110.4° | 109.5° |
| N21 | C21 | C31 | 110.8° | 109.6° |
| N21 | C21 | H21 | 106.7° | 109.5° |
| C21 | N21 | HN21 | 111.0° | 106.7° |
| C21 | N21 | HN22 | 112.8° | 106.7° |
| C31 | C21 | H21 | 108.8° | 109.5° |
| C21 | C31 | C41 | 109.3° | 108.6° |
| C21 | C31 | H311 | 112.3° | 109.6° |
| C21 | C31 | H312 | 112.3° | 109.6° |
| HN21 | N21 | HN22 | 111.0° | 106.7° |
| C41 | C31 | H311 | 112.2° | 109.6° |
| C41 | C31 | H312 | 112.3° | 109.6° |
| C31 | C41 | O41 | 109.7° | 109.6° |
| C31 | C41 | C51 | 109.4° | 109.0° |
| C31 | C41 | H41 | 109.9° | 109.5° |
| H311 | C31 | H312 | 98.2° | 109.8° |
| O41 | C41 | C51 | 111.1° | 109.5° |
| O41 | C41 | H41 | 108.2° | 109.6° |
| C41 | O41 | H41O | 109.7° | 106.8° |
| C51 | C41 | H41 | 108.5° | 109.7° |
| C41 | C51 | O51 | 109.8° | 109.7° |
| C41 | C51 | C61 | 113.5° | 109.4° |
| C41 | C51 | H51 | 105.8° | 109.4° |
| O51 | C51 | C61 | 107.2° | 109.4° |
| O51 | C51 | H51 | 112.3° | 109.4° |
| C61 | C51 | H51 | 108.5° | 109.5° |
| C51 | C61 | N61 | 111.9° | 109.4° |
| C51 | C61 | H611 | 111.3° | 109.6° |
| C51 | C61 | H612 | 111.3° | 109.5° |
| N61 | C61 | H611 | 111.3° | 109.5° |
| N61 | C61 | H612 | 111.3° | 109.5° |
| C61 | N61 | HN61 | 111.3° | 106.7° |
| C61 | N61 | HN62 | 111.9° | 106.6° |
| H611 | C61 | H612 | 99.1° | 109.5° |
| HN61 | N61 | HN62 | 111.3° | 106.7° |
| N12 | C12 | C22 | 110.2° | 109.5° |
| N12 | C12 | C62 | 109.2° | 109.5° |
| N12 | C12 | H12 | 109.2° | 109.5° |
| C12 | N12 | HN11 | 111.9° | 106.7° |
| C12 | N12 | HN12 | 110.2° | 106.7° |
| C22 | C12 | C62 | 109.6° | 109.5° |
| C22 | C12 | H12 | 108.7° | 109.4° |
| C12 | C22 | C32 | 109.6° | 109.5° |
| C12 | C22 | H221 | 112.2° | 109.5° |
| C12 | C22 | H222 | 112.2° | 109.4° |
| C62 | C12 | H12 | 109.8° | 109.5° |
| C12 | C62 | C52 | 111.4° | 109.4° |
| C12 | C62 | O62 | 109.1° | 109.5° |
| C12 | C62 | H62 | 108.3° | 109.5° |
| HN11 | N12 | HN12 | 111.9° | 106.6° |
| C32 | C22 | H221 | 112.2° | 109.6° |
| C32 | C22 | H222 | 112.1° | 109.4° |
| C22 | C32 | N32 | 109.0° | 109.5° |
| C22 | C32 | C42 | 110.7° | 109.5° |
| C22 | C32 | H32 | 110.5° | 109.4° |
| H221 | C22 | H222 | 98.2° | 109.4° |
| N32 | C32 | C42 | 113.7° | 109.5° |
| N32 | C32 | H32 | 107.3° | 109.4° |
| C32 | N32 | HN1 | 112.4° | 106.7° |
| C32 | N32 | HN2 | 109.0° | 106.7° |
| C42 | C32 | H32 | 105.5° | 109.5° |
| C32 | C42 | C52 | 110.4° | 109.5° |
| C32 | C42 | H42 | 109.5° | 109.4° |
| HN1 | N32 | HN2 | 112.4° | 106.7° |
| C52 | C42 | H42 | 108.6° | 109.5° |
| C42 | C52 | O52 | 109.2° | 109.5° |
| C42 | C52 | C62 | 111.1° | 109.5° |
| C42 | C52 | H52 | 108.4° | 109.5° |
| O52 | C52 | C62 | 108.9° | 109.4° |
| O52 | C52 | H52 | 110.6° | 109.5° |
| C52 | O52 | H52O | 109.2° | 106.8° |
| C62 | C52 | H52 | 108.7° | 109.5° |
| C52 | C62 | O62 | 109.4° | 109.5° |
| C52 | C62 | H62 | 108.1° | 109.4° |
| O62 | C62 | H62 | 110.4° | 109.5° |
| C62 | O62 | C13 | 117.9° | 106.8° |
| O62 | C13 | C23 | 109.8° | 109.5° |
| O62 | C13 | O53 | 109.4° | 109.4° |
| O62 | C13 | H13 | 109.4° | 109.4° |
| C23 | C13 | O53 | 109.6° | 109.7° |
| C23 | C13 | H13 | 109.1° | 109.4° |
| C13 | C23 | O23 | 110.0° | 109.5° |
| C13 | C23 | C33 | 109.4° | 109.1° |
| C13 | C23 | H23 | 109.4° | 109.7° |
| O53 | C13 | H13 | 109.5° | 109.3° |
| C13 | O53 | C53 | 115.6° | 107.5° |
| O23 | C23 | C33 | 110.1° | 109.5° |
| O23 | C23 | H23 | 108.7° | 109.5° |
| C23 | O23 | H23O | 110.0° | 106.8° |
| C33 | C23 | H23 | 109.3° | 109.5° |
| C23 | C33 | N33 | 111.5° | 109.8° |
| C23 | C33 | C43 | 108.8° | 108.6° |
| C23 | C33 | H33 | 109.0° | 109.6° |
| N33 | C33 | C43 | 110.7° | 109.6° |
| N33 | C33 | H33 | 107.0° | 109.6° |
| C33 | N33 | HN31 | 111.5° | 106.7° |
| C33 | N33 | HN32 | 111.5° | 106.7° |
| C43 | C33 | H33 | 109.8° | 109.6° |
| C33 | C43 | O43 | 110.2° | 109.7° |
| C33 | C43 | C53 | 110.3° | 109.0° |
| C33 | C43 | H43 | 108.8° | 109.5° |
| HN31 | N33 | HN32 | 111.4° | 106.7° |
| O43 | C43 | C53 | 110.4° | 109.5° |
| O43 | C43 | H43 | 108.6° | 109.5° |
| C43 | O43 | H43O | 110.2° | 106.9° |
| C53 | C43 | H43 | 108.5° | 109.6° |
| C43 | C53 | O53 | 111.9° | 109.8° |
| C43 | C53 | C63 | 112.0° | 109.4° |
| C43 | C53 | H53 | 105.2° | 109.5° |
| O53 | C53 | C63 | 106.9° | 109.4° |
| O53 | C53 | H53 | 110.5° | 109.4° |
| C63 | C53 | H53 | 110.4° | 109.4° |
| C53 | C63 | O63 | 111.5° | 109.5° |
| C53 | C63 | H631 | 111.4° | 109.4° |
| C53 | C63 | H632 | 111.4° | 109.5° |
| O63 | C63 | H631 | 111.5° | 109.5° |
| O63 | C63 | H632 | 111.4° | 109.5° |
| C63 | O63 | H63O | 111.5° | 106.8° |
| H631 | C63 | H632 | 99.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C11 | C21 | O51 | 120.1° | 120.0° |
| O11 | C11 | C21 | H11 | 120.3° | 119.8° |
| O11 | C11 | O51 | H11 | 120.4° | 119.8° |
| O11 | C11 | C21 | N21 | 57.3° | 61.1° |
| O11 | C11 | C21 | C31 | 67.6° | 58.8° |
| O11 | C11 | C21 | H21 | 174.1° | 178.7° |
| O11 | C11 | O51 | C51 | 66.0° | 52.4° |
| C11 | O11 | C42 | C32 | 150.8° | 152.3° |
| C11 | O11 | C42 | C52 | 88.7° | 87.7° |
| C11 | O11 | C42 | H42 | 30.8° | 32.3° |
| C21 | C11 | O51 | H11 | 118.6° | 120.1° |
| C21 | C11 | O11 | C42 | 163.0° | 164.4° |
| C11 | C21 | N21 | C31 | 125.0° | 119.6° |
| C11 | C21 | N21 | H21 | 116.8° | 120.2° |
| C11 | C21 | C31 | H21 | 117.0° | 119.9° |
| C11 | C21 | N21 | HN21 | 54.7° | 180.0° |
| C11 | C21 | N21 | HN22 | 180.0° | 66.2° |
| C11 | C21 | C31 | C41 | 55.1° | 53.8° |
| C11 | C21 | C31 | H311 | 179.7° | 66.0° |
| C11 | C21 | C31 | H312 | 70.2° | 173.5° |
| C21 | C11 | O51 | C51 | 55.1° | 67.6° |
| O51 | C11 | O11 | C42 | 75.3° | 75.4° |
| O51 | C11 | C21 | N21 | 177.4° | 178.8° |
| O51 | C11 | C21 | C31 | 52.4° | 61.2° |
| O51 | C11 | C21 | H21 | 65.8° | 58.7° |
| C11 | O51 | C51 | C41 | 58.3° | 67.6° |
| C11 | O51 | C51 | C61 | 178.0° | 172.4° |
| C11 | O51 | C51 | H51 | 59.1° | 52.4° |
| H11 | C11 | O11 | C42 | 44.4° | 44.5° |
| H11 | C11 | C21 | N21 | 63.0° | 58.7° |
| H11 | C11 | C21 | C31 | 172.0° | 178.6° |
| H11 | C11 | C21 | H21 | 53.8° | 61.5° |
| H11 | C11 | O51 | C51 | 173.6° | 172.3° |
| O11 | C42 | C32 | C22 | 176.5° | 180.0° |
| O11 | C42 | C32 | N32 | 60.4° | 59.9° |
| O11 | C42 | C32 | C52 | 119.9° | 120.0° |
| O11 | C42 | C32 | H42 | 120.6° | 120.0° |
| O11 | C42 | C32 | H32 | 56.9° | 60.0° |
| O11 | C42 | C52 | H42 | 120.6° | 120.0° |
| O11 | C42 | C52 | O52 | 66.9° | 60.0° |
| O11 | C42 | C52 | C62 | 173.0° | 180.0° |
| O11 | C42 | C52 | H52 | 53.6° | 60.0° |
| N21 | C21 | C31 | H21 | 117.0° | 120.2° |
| C21 | N21 | HN21 | HN22 | 126.3° | 113.8° |
| N21 | C21 | C31 | C41 | 178.9° | 173.7° |
| N21 | C21 | C31 | H311 | 53.7° | 53.9° |
| N21 | C21 | C31 | H312 | 55.8° | 66.7° |
| C31 | C21 | N21 | HN21 | 179.7° | 60.4° |
| C31 | C21 | N21 | HN22 | 55.0° | 53.4° |
| C21 | C31 | C41 | H311 | 125.2° | 119.7° |
| C21 | C31 | C41 | H312 | 125.3° | 119.7° |
| C21 | C31 | H311 | H312 | 118.2° | 120.5° |
| C21 | C31 | C41 | O41 | 179.7° | 173.6° |
| C21 | C31 | C41 | C51 | 58.2° | 53.8° |
| C21 | C31 | C41 | H41 | 60.8° | 66.2° |
| H21 | C21 | N21 | HN21 | 62.1° | 59.8° |
| H21 | C21 | N21 | HN22 | 63.2° | 173.6° |
| H21 | C21 | C31 | C41 | 61.9° | 66.1° |
| H21 | C21 | C31 | H311 | 63.3° | 174.1° |
| H21 | C21 | C31 | H312 | 172.8° | 53.5° |
| C41 | C31 | H311 | H312 | 118.2° | 120.4° |
| C31 | C41 | O41 | C51 | 121.1° | 119.5° |
| C31 | C41 | O41 | H41 | 119.9° | 120.2° |
| C31 | C41 | C51 | H41 | 119.9° | 119.9° |
| C31 | C41 | O41 | H41O | 180.0° | 60.0° |
| C31 | C41 | C51 | O51 | 58.9° | 61.4° |
| C31 | C41 | C51 | C61 | 178.8° | 178.6° |
| C31 | C41 | C51 | H51 | 62.4° | 58.7° |
| H311 | C31 | C41 | O41 | 54.5° | 53.9° |
| H311 | C31 | C41 | C51 | 176.6° | 65.9° |
| H311 | C31 | C41 | H41 | 64.4° | 174.1° |
| H312 | C31 | C41 | O41 | 55.0° | 66.7° |
| H312 | C31 | C41 | C51 | 67.1° | 173.5° |
| H312 | C31 | C41 | H41 | 173.9° | 53.5° |
| O41 | C41 | C51 | H41 | 118.8° | 120.2° |
| O41 | C41 | C51 | O51 | 179.8° | 178.8° |
| O41 | C41 | C51 | C61 | 60.0° | 58.8° |
| O41 | C41 | C51 | H51 | 58.8° | 61.1° |
| C51 | C41 | O41 | H41O | 58.9° | 179.5° |
| C41 | C51 | O51 | C61 | 123.7° | 120.0° |
| C41 | C51 | O51 | H51 | 117.4° | 120.1° |
| C41 | C51 | C61 | H51 | 117.3° | 119.9° |
| C41 | C51 | C61 | N61 | 76.4° | 179.9° |
| C41 | C51 | C61 | H611 | 158.3° | 60.1° |
| C41 | C51 | C61 | H612 | 48.9° | 59.9° |
| H41 | C41 | O41 | H41O | 60.1° | 60.2° |
| H41 | C41 | C51 | O51 | 61.0° | 58.5° |
| H41 | C41 | C51 | C61 | 58.9° | 61.5° |
| H41 | C41 | C51 | H51 | 177.7° | 178.6° |
| O51 | C51 | C61 | H51 | 121.4° | 119.9° |
| O51 | C51 | C61 | N61 | 162.3° | 59.9° |
| O51 | C51 | C61 | H611 | 37.0° | 60.1° |
| O51 | C51 | C61 | H612 | 72.5° | 179.9° |
| C51 | C61 | N61 | H611 | 125.3° | 120.1° |
| C51 | C61 | N61 | H612 | 125.2° | 119.9° |
| C51 | C61 | H611 | H612 | 117.2° | 120.0° |
| C51 | C61 | N61 | HN61 | 54.8° | 180.0° |
| C51 | C61 | N61 | HN62 | 180.0° | 66.3° |
| H51 | C51 | C61 | N61 | 40.9° | 60.0° |
| H51 | C51 | C61 | H611 | 84.4° | 180.0° |
| H51 | C51 | C61 | H612 | 166.1° | 60.0° |
| N61 | C61 | H611 | H612 | 117.2° | 120.0° |
| C61 | N61 | HN61 | HN62 | 125.6° | 113.7° |
| H611 | C61 | N61 | HN61 | 180.0° | 60.0° |
| H611 | C61 | N61 | HN62 | 54.7° | 53.8° |
| H612 | C61 | N61 | HN61 | 70.5° | 60.0° |
| H612 | C61 | N61 | HN62 | 54.8° | 173.8° |
| N12 | C12 | C22 | C62 | 120.2° | 120.0° |
| N12 | C12 | C22 | H12 | 119.7° | 120.0° |
| N12 | C12 | C62 | H12 | 119.7° | 120.0° |
| C12 | N12 | HN11 | HN12 | 124.3° | 113.8° |
| N12 | C12 | C22 | C32 | 179.4° | 179.9° |
| N12 | C12 | C22 | H221 | 54.1° | 59.9° |
| N12 | C12 | C22 | H222 | 55.3° | 60.1° |
| N12 | C12 | C62 | C52 | 179.0° | 180.0° |
| N12 | C12 | C62 | O62 | 60.0° | 60.0° |
| N12 | C12 | C62 | H62 | 60.3° | 60.1° |
| C22 | C12 | C62 | H12 | 119.4° | 120.0° |
| C22 | C12 | N12 | HN11 | 54.7° | 59.9° |
| C22 | C12 | N12 | HN12 | 180.0° | 53.8° |
| C12 | C22 | C32 | H221 | 125.3° | 120.1° |
| C12 | C22 | C32 | H222 | 125.3° | 119.9° |
| C12 | C22 | H221 | H222 | 118.1° | 119.9° |
| C12 | C22 | C32 | N32 | 173.9° | 180.0° |
| C12 | C22 | C32 | C42 | 60.3° | 59.9° |
| C12 | C22 | C32 | H32 | 56.2° | 60.1° |
| C22 | C12 | C62 | C52 | 58.2° | 60.0° |
| C22 | C12 | C62 | O62 | 179.1° | 180.0° |
| C22 | C12 | C62 | H62 | 60.6° | 60.0° |
| C62 | C12 | N12 | HN11 | 65.8° | 180.0° |
| C62 | C12 | N12 | HN12 | 59.5° | 66.2° |
| C62 | C12 | C22 | C32 | 60.4° | 59.9° |
| C62 | C12 | C22 | H221 | 174.3° | 179.9° |
| C62 | C12 | C22 | H222 | 64.9° | 60.0° |
| C12 | C62 | C52 | C42 | 54.9° | 60.0° |
| C12 | C62 | C52 | O52 | 175.2° | 180.0° |
| C12 | C62 | C52 | O62 | 120.8° | 120.0° |
| C12 | C62 | C52 | H62 | 118.9° | 119.9° |
| C12 | C62 | C52 | H52 | 64.2° | 60.0° |
| C12 | C62 | O62 | H62 | 119.0° | 120.0° |
| C12 | C62 | O62 | C13 | 114.6° | 89.9° |
| H12 | C12 | N12 | HN11 | 174.2° | 60.1° |
| H12 | C12 | N12 | HN12 | 60.6° | 173.8° |
| H12 | C12 | C22 | C32 | 59.7° | 60.1° |
| H12 | C12 | C22 | H221 | 65.6° | 60.1° |
| H12 | C12 | C22 | H222 | 175.1° | 180.0° |
| H12 | C12 | C62 | C52 | 61.2° | 60.0° |
| H12 | C12 | C62 | O62 | 59.7° | 60.0° |
| H12 | C12 | C62 | H62 | 180.0° | 179.9° |
| C32 | C22 | H221 | H222 | 118.0° | 120.0° |
| C22 | C32 | N32 | C42 | 124.0° | 120.1° |
| C22 | C32 | N32 | H32 | 119.7° | 119.9° |
| C22 | C32 | C42 | H32 | 119.6° | 120.0° |
| C22 | C32 | N32 | HN1 | 54.7° | 49.2° |
| C22 | C32 | N32 | HN2 | 180.0° | 163.0° |
| C22 | C32 | C42 | C52 | 56.6° | 60.0° |
| C22 | C32 | C42 | H42 | 62.9° | 60.0° |
| H221 | C22 | C32 | N32 | 48.7° | 59.9° |
| H221 | C22 | C32 | C42 | 174.4° | 180.0° |
| H221 | C22 | C32 | H32 | 69.1° | 60.0° |
| H222 | C22 | C32 | N32 | 60.8° | 60.1° |
| H222 | C22 | C32 | C42 | 65.0° | 60.0° |
| H222 | C22 | C32 | H32 | 178.5° | 180.0° |
| N32 | C32 | C42 | H32 | 117.4° | 120.0° |
| C32 | N32 | HN1 | HN2 | 123.4° | 113.8° |
| N32 | C32 | C42 | C52 | 179.7° | 180.0° |
| N32 | C32 | C42 | H42 | 60.2° | 60.0° |
| C42 | C32 | N32 | HN1 | 178.7° | 169.3° |
| C42 | C32 | N32 | HN2 | 56.0° | 76.8° |
| C32 | C42 | C52 | H42 | 120.1° | 120.0° |
| C32 | C42 | C52 | O52 | 173.8° | 180.0° |
| C32 | C42 | C52 | C62 | 53.6° | 60.0° |
| C32 | C42 | C52 | H52 | 65.7° | 60.0° |
| H32 | C32 | N32 | HN1 | 65.0° | 70.7° |
| H32 | C32 | N32 | HN2 | 60.3° | 43.1° |
| H32 | C32 | C42 | C52 | 63.0° | 60.0° |
| H32 | C32 | C42 | H42 | 177.5° | 180.0° |
| C42 | C52 | O52 | C62 | 121.5° | 120.0° |
| C42 | C52 | O52 | H52 | 119.1° | 120.0° |
| C42 | C52 | C62 | H52 | 119.1° | 120.0° |
| C42 | C52 | O52 | H52O | 180.0° | 171.9° |
| C42 | C52 | C62 | O62 | 175.7° | 180.0° |
| C42 | C52 | C62 | H62 | 64.0° | 59.9° |
| H42 | C42 | C52 | O52 | 53.7° | 60.0° |
| H42 | C42 | C52 | C62 | 66.4° | 60.0° |
| H42 | C42 | C52 | H52 | 174.2° | 180.0° |
| O52 | C52 | C62 | H52 | 120.5° | 120.0° |
| O52 | C52 | C62 | O62 | 64.0° | 60.0° |
| O52 | C52 | C62 | H62 | 56.3° | 60.1° |
| C62 | C52 | O52 | H52O | 58.5° | 68.1° |
| C52 | C62 | O62 | H62 | 118.8° | 120.0° |
| C52 | C62 | O62 | C13 | 123.3° | 150.2° |
| H52 | C52 | O52 | H52O | 60.8° | 51.9° |
| H52 | C52 | C62 | O62 | 56.5° | 60.0° |
| H52 | C52 | C62 | H62 | 176.8° | 180.0° |
| C62 | O62 | C13 | C23 | 156.1° | 164.5° |
| C62 | O62 | C13 | O53 | 83.5° | 75.2° |
| C62 | O62 | C13 | H13 | 36.4° | 44.5° |
| H62 | C62 | O62 | C13 | 4.4° | 30.2° |
| O62 | C13 | C23 | O53 | 120.2° | 120.1° |
| O62 | C13 | C23 | H13 | 119.9° | 119.9° |
| O62 | C13 | O53 | H13 | 119.9° | 119.8° |
| O62 | C13 | C23 | O23 | 60.3° | 61.1° |
| O62 | C13 | C23 | C33 | 60.7° | 58.7° |
| O62 | C13 | C23 | H23 | 179.6° | 178.7° |
| O62 | C13 | O53 | C53 | 65.5° | 52.5° |
| C23 | C13 | O53 | H13 | 119.7° | 120.0° |
| C13 | C23 | O23 | C33 | 120.6° | 119.6° |
| C13 | C23 | O23 | H23 | 119.8° | 120.3° |
| C13 | C23 | C33 | H23 | 119.8° | 120.0° |
| C13 | C23 | O23 | H23O | 180.0° | 60.4° |
| C13 | C23 | C33 | N33 | 176.0° | 173.6° |
| C13 | C23 | C33 | C43 | 61.6° | 53.8° |
| C13 | C23 | C33 | H33 | 58.1° | 65.9° |
| C23 | C13 | O53 | C53 | 55.0° | 67.6° |
| O53 | C13 | C23 | O23 | 179.5° | 178.7° |
| O53 | C13 | C23 | C33 | 59.5° | 61.4° |
| O53 | C13 | C23 | H23 | 60.2° | 58.5° |
| C13 | O53 | C53 | C43 | 51.3° | 67.6° |
| C13 | O53 | C53 | C63 | 174.2° | 172.4° |
| C13 | O53 | C53 | H53 | 65.7° | 52.6° |
| H13 | C13 | C23 | O23 | 59.6° | 58.8° |
| H13 | C13 | C23 | C33 | 179.4° | 178.6° |
| H13 | C13 | C23 | H23 | 59.7° | 61.4° |
| H13 | C13 | O53 | C53 | 174.7° | 172.3° |
| O23 | C23 | C33 | H23 | 119.3° | 120.1° |
| O23 | C23 | C33 | N33 | 55.1° | 66.5° |
| O23 | C23 | C33 | C43 | 177.5° | 173.6° |
| O23 | C23 | C33 | H33 | 62.8° | 54.0° |
| C33 | C23 | O23 | H23O | 59.4° | 180.0° |
| C23 | C33 | N33 | C43 | 121.2° | 119.2° |
| C23 | C33 | N33 | H33 | 119.1° | 120.5° |
| C23 | C33 | C43 | H33 | 119.2° | 119.7° |
| C23 | C33 | N33 | HN31 | 54.8° | 60.8° |
| C23 | C33 | N33 | HN32 | 180.0° | 53.0° |
| C23 | C33 | C43 | O43 | 179.3° | 173.6° |
| C23 | C33 | C43 | C53 | 57.1° | 53.7° |
| C23 | C33 | C43 | H43 | 61.7° | 66.2° |
| H23 | C23 | O23 | H23O | 60.2° | 59.9° |
| H23 | C23 | C33 | N33 | 64.2° | 53.6° |
| H23 | C23 | C33 | C43 | 58.2° | 66.2° |
| H23 | C23 | C33 | H33 | 177.9° | 174.1° |
| N33 | C33 | C43 | H33 | 117.9° | 120.3° |
| C33 | N33 | HN31 | HN32 | 125.2° | 113.7° |
| N33 | C33 | C43 | O43 | 57.8° | 66.4° |
| N33 | C33 | C43 | C53 | 180.0° | 173.7° |
| N33 | C33 | C43 | H43 | 61.1° | 53.8° |
| C43 | C33 | N33 | HN31 | 66.5° | 180.0° |
| C43 | C33 | N33 | HN32 | 58.7° | 66.3° |
| C33 | C43 | O43 | C53 | 122.1° | 119.6° |
| C33 | C43 | O43 | H43 | 119.0° | 120.2° |
| C33 | C43 | C53 | H43 | 119.0° | 119.8° |
| C33 | C43 | O43 | H43O | 180.0° | 179.6° |
| C33 | C43 | C53 | O53 | 51.1° | 61.2° |
| C33 | C43 | C53 | C63 | 171.1° | 178.7° |
| C33 | C43 | C53 | H53 | 69.0° | 58.9° |
| H33 | C33 | N33 | HN31 | 173.9° | 59.7° |
| H33 | C33 | N33 | HN32 | 60.9° | 173.5° |
| H33 | C33 | C43 | O43 | 60.1° | 53.9° |
| H33 | C33 | C43 | C53 | 62.1° | 66.0° |
| H33 | C33 | C43 | H43 | 179.0° | 174.1° |
| O43 | C43 | C53 | H43 | 118.9° | 120.1° |
| O43 | C43 | C53 | O53 | 173.1° | 178.7° |
| O43 | C43 | C53 | C63 | 66.9° | 58.7° |
| O43 | C43 | C53 | H53 | 53.1° | 61.2° |
| C53 | C43 | O43 | H43O | 57.9° | 60.0° |
| C43 | C53 | O53 | C63 | 122.9° | 120.0° |
| C43 | C53 | O53 | H53 | 116.9° | 120.2° |
| C43 | C53 | C63 | H53 | 116.9° | 119.9° |
| C43 | C53 | C63 | O63 | 64.3° | 175.7° |
| C43 | C53 | C63 | H631 | 61.0° | 55.7° |
| C43 | C53 | C63 | H632 | 170.5° | 64.3° |
| H43 | C43 | O43 | H43O | 61.0° | 60.2° |
| H43 | C43 | C53 | O53 | 68.0° | 58.6° |
| H43 | C43 | C53 | C63 | 52.0° | 61.4° |
| H43 | C43 | C53 | H53 | 172.0° | 178.7° |
| O53 | C53 | C63 | H53 | 120.2° | 119.9° |
| O53 | C53 | C63 | O63 | 58.6° | 64.0° |
| O53 | C53 | C63 | H631 | 176.1° | 176.0° |
| O53 | C53 | C63 | H632 | 66.6° | 56.0° |
| C53 | C63 | O63 | H631 | 125.2° | 119.9° |
| C53 | C63 | O63 | H632 | 125.2° | 120.0° |
| C53 | C63 | H631 | H632 | 117.3° | 120.0° |
| C53 | C63 | O63 | H63O | 180.0° | 175.0° |
| H53 | C53 | C63 | O63 | 178.8° | 55.8° |
| H53 | C53 | C63 | H631 | 55.9° | 64.2° |
| H53 | C53 | C63 | H632 | 53.6° | 175.8° |
| O63 | C63 | H631 | H632 | 117.4° | 120.0° |
| H631 | C63 | O63 | H63O | 54.7° | 65.0° |
| H632 | C63 | O63 | H63O | 54.8° | 55.0° |
