CNY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | O11 | sing | 1.41Å | 1.47Å | |
| C11 | C21 | sing | 1.53Å | 1.60Å | |
| C11 | O51 | sing | 1.42Å | 1.50Å | |
| C11 | H11 | sing | 1.11Å | 1.11Å | |
| O11 | C42 | sing | 1.43Å | 1.48Å | |
| C21 | N21 | sing | 1.45Å | 1.49Å | |
| C21 | C31 | sing | 1.54Å | 1.58Å | |
| C21 | H21 | sing | 1.09Å | 1.12Å | |
| N21 | C53 | sing | 1.45Å | 1.47Å | |
| N21 | H1 | sing | 0.97Å | 1.02Å | |
| C31 | O31 | sing | 1.43Å | 1.43Å | |
| C31 | C41 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.12Å | |
| O31 | H2 | sing | 0.97Å | 0.95Å | |
| C41 | O41 | sing | 1.43Å | 1.44Å | |
| C41 | C51 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.11Å | |
| O41 | H3 | sing | 0.97Å | 0.95Å | |
| C51 | O51 | sing | 1.42Å | 1.49Å | |
| C51 | C61 | sing | 1.53Å | 1.56Å | |
| C51 | H51 | sing | 1.09Å | 1.11Å | |
| C61 | N61 | sing | 1.47Å | 1.48Å | |
| C61 | H611 | sing | 1.09Å | 1.12Å | |
| C61 | H612 | sing | 1.09Å | 1.12Å | |
| N61 | H11A | sing | 1.01Å | 1.02Å | |
| N61 | H12A | sing | 1.01Å | 1.02Å | |
| C12 | N12 | sing | 1.47Å | 1.47Å | |
| C12 | C22 | sing | 1.53Å | 1.56Å | |
| C12 | C62 | sing | 1.53Å | 1.54Å | |
| 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 | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C32 | N32 | sing | 1.47Å | 1.47Å | |
| C32 | C42 | sing | 1.53Å | 1.57Å | |
| 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 | 1.59Å | |
| C42 | H42 | sing | 1.08Å | 1.11Å | |
| C52 | O52 | sing | 1.43Å | 1.46Å | |
| C52 | C62 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.08Å | 1.11Å | |
| O52 | C13 | sing | 1.44Å | 1.46Å | |
| C62 | O62 | sing | 1.43Å | 1.43Å | |
| C62 | H62 | sing | 1.09Å | 1.11Å | |
| O62 | H4 | sing | 0.97Å | 0.95Å | |
| C13 | C23 | sing | 1.54Å | 1.53Å | |
| C13 | O43 | sing | 1.42Å | 1.43Å | |
| C13 | H13 | sing | 1.08Å | 1.11Å | |
| C23 | O23 | sing | 1.43Å | 1.43Å | |
| C23 | C33 | sing | 1.54Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.12Å | |
| O23 | H5 | sing | 0.97Å | 0.95Å | |
| C33 | O33 | sing | 1.43Å | 1.45Å | |
| C33 | C43 | sing | 1.54Å | 1.51Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| O33 | C14 | sing | 1.43Å | 1.47Å | |
| C43 | O43 | sing | 1.43Å | 1.44Å | |
| C43 | C53 | sing | 1.55Å | 1.55Å | |
| C43 | H43 | sing | 1.09Å | 1.12Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C14 | C24 | sing | 1.53Å | 1.56Å | |
| C14 | O54 | sing | 1.43Å | 1.50Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C24 | N24 | sing | 1.47Å | 1.49Å | |
| C24 | C34 | sing | 1.53Å | 1.57Å | |
| 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 | 1.43Å | |
| C34 | C44 | sing | 1.53Å | 1.56Å | |
| C34 | H34 | sing | 1.09Å | 1.11Å | |
| O34 | H6 | sing | 0.97Å | 0.95Å | |
| C44 | O44 | sing | 1.43Å | 1.44Å | |
| C44 | C54 | sing | 1.53Å | 1.59Å | |
| C44 | H44 | sing | 1.09Å | 1.11Å | |
| O44 | H7 | sing | 0.97Å | 0.95Å | |
| C54 | O54 | sing | 1.43Å | 1.48Å | |
| C54 | C64 | sing | 1.53Å | 1.57Å | |
| C54 | H54 | sing | 1.09Å | 1.12Å | |
| C64 | N64 | sing | 1.47Å | 1.49Å | |
| C64 | H641 | sing | 1.09Å | 1.11Å | |
| C64 | H642 | sing | 1.09Å | 1.12Å | |
| N64 | H21A | sing | 1.01Å | 1.02Å | |
| N64 | H22 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C11 | C21 | 112.2° | 110.2° |
| O11 | C11 | O51 | 112.3° | 113.3° |
| O11 | C11 | H11 | 105.1° | 109.2° |
| C11 | O11 | C42 | 120.6° | 112.1° |
| C21 | C11 | O51 | 107.9° | 110.7° |
| C21 | C11 | H11 | 109.7° | 106.9° |
| C11 | C21 | N21 | 114.0° | 111.6° |
| C11 | C21 | C31 | 110.2° | 108.6° |
| C11 | C21 | H21 | 105.7° | 108.9° |
| O51 | C11 | H11 | 109.6° | 106.2° |
| C11 | O51 | C51 | 116.3° | 112.3° |
| O11 | C42 | C32 | 107.8° | 106.7° |
| O11 | C42 | C52 | 112.4° | 110.6° |
| O11 | C42 | H42 | 108.2° | 111.0° |
| N21 | C21 | C31 | 109.2° | 107.9° |
| N21 | C21 | H21 | 106.8° | 111.0° |
| C21 | N21 | C53 | 117.7° | 113.6° |
| C21 | N21 | H1 | 109.2° | 115.9° |
| C31 | C21 | H21 | 110.8° | 108.8° |
| C21 | C31 | O31 | 110.7° | 109.5° |
| C21 | C31 | C41 | 110.4° | 108.5° |
| C21 | C31 | H31 | 108.3° | 109.6° |
| C53 | N21 | H1 | 109.3° | 115.9° |
| N21 | C53 | C43 | 111.5° | 108.5° |
| N21 | C53 | H531 | 111.5° | 110.5° |
| N21 | C53 | H532 | 111.4° | 110.4° |
| O31 | C31 | C41 | 110.0° | 109.6° |
| O31 | C31 | H31 | 108.6° | 109.7° |
| C31 | O31 | H2 | 110.6° | 106.9° |
| C41 | C31 | H31 | 108.8° | 109.8° |
| C31 | C41 | O41 | 109.6° | 109.7° |
| C31 | C41 | C51 | 110.4° | 107.4° |
| C31 | C41 | H41 | 109.4° | 110.0° |
| O41 | C41 | C51 | 111.3° | 109.7° |
| O41 | C41 | H41 | 108.4° | 110.0° |
| C41 | O41 | H3 | 109.7° | 106.8° |
| C51 | C41 | H41 | 107.6° | 109.9° |
| C41 | C51 | O51 | 109.4° | 110.0° |
| C41 | C51 | C61 | 109.6° | 109.2° |
| C41 | C51 | H51 | 110.0° | 109.0° |
| O51 | C51 | C61 | 111.1° | 109.5° |
| O51 | C51 | H51 | 108.5° | 109.9° |
| C61 | C51 | H51 | 108.3° | 109.2° |
| C51 | C61 | N61 | 114.4° | 109.5° |
| C51 | C61 | H611 | 110.4° | 109.5° |
| C51 | C61 | H612 | 110.4° | 109.5° |
| N61 | C61 | H611 | 110.4° | 109.5° |
| N61 | C61 | H612 | 110.4° | 109.5° |
| C61 | N61 | H11A | 114.4° | 106.7° |
| C61 | N61 | H12A | 110.4° | 106.7° |
| H611 | C61 | H612 | 99.8° | 109.4° |
| H11A | N61 | H12A | 110.4° | 106.6° |
| N12 | C12 | C22 | 110.7° | 109.6° |
| N12 | C12 | C62 | 110.1° | 109.6° |
| N12 | C12 | H12 | 108.7° | 109.6° |
| C12 | N12 | H121 | 110.7° | 106.6° |
| C12 | N12 | H122 | 111.7° | 106.7° |
| C22 | C12 | C62 | 111.0° | 108.5° |
| C22 | C12 | H12 | 107.8° | 109.8° |
| C12 | C22 | C32 | 110.8° | 108.1° |
| C12 | C22 | H221 | 111.8° | 109.7° |
| C12 | C22 | H222 | 111.7° | 109.8° |
| C62 | C12 | H12 | 108.4° | 109.7° |
| C12 | C62 | C52 | 110.3° | 111.1° |
| C12 | C62 | O62 | 109.2° | 109.2° |
| C12 | C62 | H62 | 109.4° | 109.2° |
| H121 | N12 | H122 | 111.8° | 106.7° |
| C32 | C22 | H221 | 111.7° | 109.7° |
| C32 | C22 | H222 | 111.7° | 109.7° |
| C22 | C32 | N32 | 108.0° | 109.1° |
| C22 | C32 | C42 | 110.2° | 110.8° |
| C22 | C32 | H32 | 110.9° | 109.0° |
| H221 | C22 | H222 | 98.7° | 109.7° |
| N32 | C32 | C42 | 111.9° | 109.9° |
| N32 | C32 | H32 | 109.1° | 109.2° |
| C32 | N32 | H321 | 108.0° | 106.7° |
| C32 | N32 | H322 | 112.8° | 106.7° |
| C42 | C32 | H32 | 106.8° | 108.8° |
| C32 | C42 | C52 | 108.0° | 108.3° |
| C32 | C42 | H42 | 112.5° | 110.0° |
| H321 | N32 | H322 | 112.7° | 106.7° |
| C52 | C42 | H42 | 108.0° | 110.1° |
| C42 | C52 | O52 | 112.6° | 110.4° |
| C42 | C52 | C62 | 110.8° | 109.4° |
| C42 | C52 | H52 | 105.3° | 110.2° |
| O52 | C52 | C62 | 106.1° | 107.1° |
| O52 | C52 | H52 | 110.1° | 109.9° |
| C52 | O52 | C13 | 115.8° | 108.8° |
| C62 | C52 | H52 | 112.0° | 109.8° |
| C52 | C62 | O62 | 110.5° | 109.1° |
| C52 | C62 | H62 | 108.1° | 109.0° |
| O52 | C13 | C23 | 109.1° | 107.3° |
| O52 | C13 | O43 | 108.2° | 108.1° |
| O52 | C13 | H13 | 109.6° | 110.0° |
| O62 | C62 | H62 | 109.3° | 109.2° |
| C62 | O62 | H4 | 109.2° | 106.8° |
| C23 | C13 | O43 | 106.7° | 106.2° |
| C23 | C13 | H13 | 111.1° | 111.1° |
| C13 | C23 | O23 | 111.2° | 110.3° |
| C13 | C23 | C33 | 103.4° | 104.7° |
| C13 | C23 | H23 | 113.8° | 110.5° |
| O43 | C13 | H13 | 112.0° | 113.9° |
| C13 | O43 | C43 | 111.2° | 108.1° |
| O23 | C23 | C33 | 113.7° | 110.3° |
| O23 | C23 | H23 | 103.7° | 110.4° |
| C23 | O23 | H5 | 111.1° | 106.8° |
| C33 | C23 | H23 | 111.3° | 110.4° |
| C23 | C33 | O33 | 110.4° | 110.4° |
| C23 | C33 | C43 | 103.6° | 104.1° |
| C23 | C33 | H33 | 113.6° | 110.5° |
| O33 | C33 | C43 | 111.9° | 110.5° |
| O33 | C33 | H33 | 105.5° | 110.4° |
| C33 | O33 | C14 | 118.6° | 106.8° |
| C43 | C33 | H33 | 112.0° | 110.8° |
| C33 | C43 | O43 | 104.8° | 106.5° |
| C33 | C43 | C53 | 113.0° | 109.0° |
| C33 | C43 | H43 | 110.2° | 111.4° |
| O33 | C14 | C24 | 110.6° | 109.3° |
| O33 | C14 | O54 | 111.4° | 109.4° |
| O33 | C14 | H14 | 107.5° | 109.4° |
| O43 | C43 | C53 | 109.1° | 107.5° |
| O43 | C43 | H43 | 114.0° | 112.6° |
| C53 | C43 | H43 | 105.9° | 109.7° |
| C43 | C53 | H531 | 111.5° | 109.1° |
| C43 | C53 | H532 | 111.5° | 109.2° |
| H531 | C53 | H532 | 98.9° | 109.0° |
| C24 | C14 | O54 | 109.7° | 109.8° |
| C24 | C14 | H14 | 109.2° | 109.4° |
| C14 | C24 | N24 | 112.3° | 109.5° |
| C14 | C24 | C34 | 109.3° | 109.0° |
| C14 | C24 | H24 | 107.7° | 109.6° |
| O54 | C14 | H14 | 108.3° | 109.4° |
| C14 | O54 | C54 | 116.5° | 107.6° |
| N24 | C24 | C34 | 109.7° | 109.6° |
| N24 | C24 | H24 | 107.3° | 109.5° |
| C24 | N24 | H241 | 112.4° | 106.7° |
| C24 | N24 | H242 | 111.1° | 106.7° |
| C34 | C24 | H24 | 110.4° | 109.6° |
| C24 | C34 | O34 | 110.0° | 109.6° |
| C24 | C34 | C44 | 111.1° | 108.6° |
| C24 | C34 | H34 | 107.9° | 109.6° |
| H241 | N24 | H242 | 111.2° | 106.7° |
| O34 | C34 | C44 | 109.2° | 109.8° |
| O34 | C34 | H34 | 109.8° | 109.6° |
| C34 | O34 | H6 | 110.1° | 106.7° |
| C44 | C34 | H34 | 108.7° | 109.6° |
| C34 | C44 | O44 | 108.9° | 109.5° |
| C34 | C44 | C54 | 109.3° | 109.0° |
| C34 | C44 | H44 | 110.7° | 109.5° |
| O44 | C44 | C54 | 111.5° | 109.7° |
| O44 | C44 | H44 | 108.4° | 109.5° |
| C44 | O44 | H7 | 109.0° | 106.7° |
| C54 | C44 | H44 | 108.1° | 109.5° |
| C44 | C54 | O54 | 110.9° | 109.7° |
| C44 | C54 | C64 | 113.4° | 109.4° |
| C44 | C54 | H54 | 106.1° | 109.4° |
| O54 | C54 | C64 | 110.3° | 109.4° |
| O54 | C54 | H54 | 109.4° | 109.4° |
| C64 | C54 | H54 | 106.6° | 109.4° |
| C54 | C64 | N64 | 115.8° | 109.4° |
| C54 | C64 | H641 | 110.0° | 109.5° |
| C54 | C64 | H642 | 109.9° | 109.5° |
| N64 | C64 | H641 | 109.9° | 109.5° |
| N64 | C64 | H642 | 109.9° | 109.4° |
| C64 | N64 | H21A | 115.8° | 106.8° |
| C64 | N64 | H22 | 109.9° | 106.7° |
| H641 | C64 | H642 | 100.3° | 109.5° |
| H21A | N64 | H22 | 109.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C11 | C21 | O51 | 124.3° | 126.2° |
| O11 | C11 | C21 | H11 | 116.4° | 118.5° |
| O11 | C11 | O51 | H11 | 116.4° | 119.9° |
| O11 | C11 | C21 | N21 | 53.1° | 49.6° |
| O11 | C11 | C21 | C31 | 70.2° | 69.1° |
| O11 | C11 | C21 | H21 | 170.1° | 172.5° |
| O11 | C11 | O51 | C51 | 66.9° | 63.2° |
| C11 | O11 | C42 | C32 | 144.7° | 152.2° |
| C11 | O11 | C42 | C52 | 96.4° | 90.3° |
| C11 | O11 | C42 | H42 | 22.8° | 32.3° |
| C21 | C11 | O51 | H11 | 119.4° | 115.8° |
| C21 | C11 | O11 | C42 | 152.4° | 176.5° |
| C11 | C21 | N21 | C31 | 123.7° | 119.2° |
| C11 | C21 | N21 | H21 | 116.4° | 121.7° |
| C11 | C21 | C31 | H21 | 116.6° | 118.4° |
| C11 | C21 | N21 | C53 | 79.9° | 95.4° |
| C11 | C21 | N21 | H1 | 45.4° | 42.4° |
| C11 | C21 | C31 | O31 | 178.7° | 176.2° |
| C11 | C21 | C31 | C41 | 56.7° | 56.6° |
| C11 | C21 | C31 | H31 | 62.4° | 63.3° |
| C21 | C11 | O51 | C51 | 57.3° | 61.2° |
| O51 | C11 | O11 | C42 | 85.8° | 58.8° |
| O51 | C11 | C21 | N21 | 177.4° | 175.8° |
| O51 | C11 | C21 | C31 | 54.1° | 57.0° |
| O51 | C11 | C21 | H21 | 65.6° | 61.3° |
| C11 | O51 | C51 | C41 | 58.6° | 63.5° |
| C11 | O51 | C51 | C61 | 179.7° | 176.4° |
| C11 | O51 | C51 | H51 | 61.4° | 56.5° |
| H11 | C11 | O11 | C42 | 33.2° | 59.3° |
| H11 | C11 | C21 | N21 | 63.4° | 68.9° |
| H11 | C11 | C21 | C31 | 173.4° | 172.3° |
| H11 | C11 | C21 | H21 | 53.7° | 54.0° |
| H11 | C11 | O51 | C51 | 176.7° | 177.0° |
| O11 | C42 | C32 | C22 | 180.0° | 180.0° |
| O11 | C42 | C32 | N32 | 59.8° | 59.3° |
| O11 | C42 | C32 | C52 | 121.7° | 119.1° |
| O11 | C42 | C32 | H42 | 119.2° | 120.5° |
| O11 | C42 | C32 | H32 | 59.5° | 60.1° |
| O11 | C42 | C52 | H42 | 119.2° | 123.1° |
| O11 | C42 | C52 | O52 | 63.3° | 67.6° |
| O11 | C42 | C52 | C62 | 178.1° | 174.8° |
| O11 | C42 | C52 | H52 | 56.8° | 54.0° |
| N21 | C21 | C31 | H21 | 117.4° | 120.5° |
| C21 | N21 | C53 | H1 | 125.3° | 137.8° |
| N21 | C21 | C31 | O31 | 55.3° | 62.7° |
| N21 | C21 | C31 | C41 | 177.4° | 177.7° |
| N21 | C21 | C31 | H31 | 63.6° | 57.8° |
| C21 | N21 | C53 | C43 | 145.2° | 100.0° |
| C21 | N21 | C53 | H531 | 19.9° | 140.4° |
| C21 | N21 | C53 | H532 | 89.6° | 19.7° |
| C31 | C21 | N21 | C53 | 156.3° | 145.4° |
| C31 | C21 | N21 | H1 | 78.4° | 76.8° |
| C21 | C31 | O31 | C41 | 122.2° | 118.9° |
| C21 | C31 | O31 | H31 | 118.7° | 120.4° |
| C21 | C31 | C41 | H31 | 118.7° | 119.8° |
| C21 | C31 | O31 | H2 | 180.0° | 180.0° |
| C21 | C31 | C41 | O41 | 179.7° | 177.8° |
| C21 | C31 | C41 | C51 | 57.2° | 58.5° |
| C21 | C31 | C41 | H41 | 61.0° | 61.1° |
| H21 | C21 | N21 | C53 | 36.5° | 26.3° |
| H21 | C21 | N21 | H1 | 161.8° | 164.1° |
| H21 | C21 | C31 | O31 | 62.1° | 57.8° |
| H21 | C21 | C31 | C41 | 60.0° | 61.8° |
| H21 | C21 | C31 | H31 | 179.0° | 178.3° |
| N21 | C53 | C43 | C33 | 163.8° | 130.8° |
| N21 | C53 | C43 | O43 | 47.6° | 15.8° |
| N21 | C53 | C43 | H531 | 125.3° | 120.5° |
| N21 | C53 | C43 | H532 | 125.2° | 120.5° |
| N21 | C53 | C43 | H43 | 75.5° | 107.0° |
| N21 | C53 | H531 | H532 | 117.3° | 121.6° |
| H1 | N21 | C53 | C43 | 19.9° | 37.8° |
| H1 | N21 | C53 | H531 | 105.4° | 81.8° |
| H1 | N21 | C53 | H532 | 145.2° | 157.4° |
| O31 | C31 | C41 | H31 | 118.9° | 120.7° |
| O31 | C31 | C41 | O41 | 57.3° | 62.7° |
| O31 | C31 | C41 | C51 | 179.7° | 178.0° |
| O31 | C31 | C41 | H41 | 61.4° | 58.4° |
| C41 | C31 | O31 | H2 | 57.7° | 61.1° |
| C31 | C41 | O41 | C51 | 122.5° | 117.8° |
| C31 | C41 | O41 | H41 | 119.3° | 121.1° |
| C31 | C41 | C51 | H41 | 119.3° | 119.6° |
| C31 | C41 | O41 | H3 | 180.0° | 180.0° |
| C31 | C41 | C51 | O51 | 56.2° | 61.4° |
| C31 | C41 | C51 | C61 | 178.2° | 178.4° |
| C31 | C41 | C51 | H51 | 62.9° | 59.2° |
| H31 | C31 | O31 | H2 | 61.3° | 59.6° |
| H31 | C31 | C41 | O41 | 61.6° | 58.0° |
| H31 | C31 | C41 | C51 | 61.5° | 61.3° |
| H31 | C31 | C41 | H41 | 179.7° | 179.1° |
| O41 | C41 | C51 | H41 | 118.6° | 121.1° |
| O41 | C41 | C51 | O51 | 178.2° | 179.3° |
| O41 | C41 | C51 | C61 | 59.7° | 59.1° |
| O41 | C41 | C51 | H51 | 59.2° | 60.1° |
| C51 | C41 | O41 | H3 | 57.5° | 62.2° |
| C41 | C51 | O51 | C61 | 121.1° | 120.0° |
| C41 | C51 | O51 | H51 | 120.0° | 120.0° |
| C41 | C51 | C61 | H51 | 120.0° | 119.2° |
| C41 | C51 | C61 | N61 | 179.9° | 175.0° |
| C41 | C51 | C61 | H611 | 54.8° | 55.0° |
| C41 | C51 | C61 | H612 | 54.6° | 65.0° |
| H41 | C41 | O41 | H3 | 60.7° | 58.9° |
| H41 | C41 | C51 | O51 | 63.1° | 58.2° |
| H41 | C41 | C51 | C61 | 58.9° | 62.0° |
| H41 | C41 | C51 | H51 | 177.8° | 178.8° |
| O51 | C51 | C61 | H51 | 119.0° | 120.4° |
| O51 | C51 | C61 | N61 | 58.9° | 64.5° |
| O51 | C51 | C61 | H611 | 175.9° | 175.5° |
| O51 | C51 | C61 | H612 | 66.4° | 55.5° |
| C51 | C61 | N61 | H611 | 125.3° | 120.0° |
| C51 | C61 | N61 | H612 | 125.3° | 120.0° |
| C51 | C61 | H611 | H612 | 116.3° | 120.0° |
| C51 | C61 | N61 | H11A | 180.0° | 66.2° |
| C51 | C61 | N61 | H12A | 54.8° | 180.0° |
| H51 | C51 | C61 | N61 | 60.1° | 55.9° |
| H51 | C51 | C61 | H611 | 65.1° | 64.2° |
| H51 | C51 | C61 | H612 | 174.6° | 175.9° |
| N61 | C61 | H611 | H612 | 116.2° | 120.0° |
| C61 | N61 | H11A | H12A | 125.2° | 113.8° |
| H611 | C61 | N61 | H11A | 54.7° | 53.8° |
| H611 | C61 | N61 | H12A | 70.5° | 60.0° |
| H612 | C61 | N61 | H11A | 54.7° | 173.8° |
| H612 | C61 | N61 | H12A | 179.9° | 60.0° |
| N12 | C12 | C22 | C62 | 122.6° | 119.7° |
| N12 | C12 | C22 | H12 | 118.8° | 120.5° |
| N12 | C12 | C62 | H12 | 118.9° | 120.4° |
| C12 | N12 | H121 | H122 | 125.3° | 113.7° |
| N12 | C12 | C22 | C32 | 179.6° | 179.9° |
| N12 | C12 | C22 | H221 | 54.4° | 60.5° |
| N12 | C12 | C22 | H222 | 55.1° | 60.2° |
| N12 | C12 | C62 | C52 | 179.9° | 180.0° |
| N12 | C12 | C62 | O62 | 58.3° | 59.6° |
| N12 | C12 | C62 | H62 | 61.3° | 59.8° |
| C22 | C12 | C62 | H12 | 118.2° | 119.9° |
| C22 | C12 | N12 | H121 | 180.0° | 60.0° |
| C22 | C12 | N12 | H122 | 54.7° | 53.7° |
| C12 | C22 | C32 | H221 | 125.3° | 119.6° |
| C12 | C22 | C32 | H222 | 125.3° | 119.8° |
| C12 | C22 | H221 | H222 | 117.7° | 120.7° |
| C12 | C22 | C32 | N32 | 179.3° | 176.8° |
| C12 | C22 | C32 | C42 | 58.2° | 62.1° |
| C12 | C22 | C32 | H32 | 59.9° | 57.6° |
| C22 | C12 | C62 | C52 | 57.2° | 60.3° |
| C22 | C12 | C62 | O62 | 178.8° | 179.2° |
| C22 | C12 | C62 | H62 | 61.6° | 59.9° |
| C62 | C12 | N12 | H121 | 56.9° | 179.0° |
| C62 | C12 | N12 | H122 | 68.4° | 65.2° |
| C62 | C12 | C22 | C32 | 57.0° | 60.2° |
| C62 | C12 | C22 | H221 | 68.2° | 179.9° |
| C62 | C12 | C22 | H222 | 177.7° | 59.5° |
| C12 | C62 | C52 | C42 | 59.0° | 59.6° |
| C12 | C62 | C52 | O52 | 178.4° | 179.3° |
| C12 | C62 | C52 | O62 | 120.8° | 120.5° |
| C12 | C62 | C52 | H62 | 119.6° | 120.3° |
| C12 | C62 | C52 | H52 | 58.2° | 61.5° |
| C12 | C62 | O62 | H62 | 119.6° | 119.3° |
| C12 | C62 | O62 | H4 | 180.0° | 60.0° |
| H12 | C12 | N12 | H121 | 61.8° | 60.5° |
| H12 | C12 | N12 | H122 | 172.9° | 174.3° |
| H12 | C12 | C22 | C32 | 61.6° | 59.6° |
| H12 | C12 | C22 | H221 | 173.2° | 60.0° |
| H12 | C12 | C22 | H222 | 63.7° | 179.4° |
| H12 | C12 | C62 | C52 | 61.0° | 59.6° |
| H12 | C12 | C62 | O62 | 60.6° | 60.9° |
| H12 | C12 | C62 | H62 | 179.8° | 179.8° |
| C32 | C22 | H221 | H222 | 117.6° | 120.6° |
| C22 | C32 | N32 | C42 | 121.5° | 121.7° |
| C22 | C32 | N32 | H32 | 120.6° | 119.0° |
| C22 | C32 | C42 | H32 | 120.5° | 119.8° |
| C22 | C32 | N32 | H321 | 180.0° | 58.2° |
| C22 | C32 | N32 | H322 | 54.7° | 172.0° |
| C22 | C32 | C42 | C52 | 58.4° | 60.9° |
| C22 | C32 | C42 | H42 | 60.8° | 59.5° |
| H221 | C22 | C32 | N32 | 55.4° | 57.2° |
| H221 | C22 | C32 | C42 | 67.1° | 178.3° |
| H221 | C22 | C32 | H32 | 174.8° | 62.0° |
| H222 | C22 | C32 | N32 | 54.0° | 63.5° |
| H222 | C22 | C32 | C42 | 176.6° | 57.7° |
| H222 | C22 | C32 | H32 | 65.4° | 177.4° |
| N32 | C32 | C42 | H32 | 119.3° | 119.5° |
| C32 | N32 | H321 | H322 | 125.3° | 113.8° |
| N32 | C32 | C42 | C52 | 178.6° | 178.4° |
| N32 | C32 | C42 | H42 | 59.4° | 61.2° |
| C42 | C32 | N32 | H321 | 58.5° | 180.0° |
| C42 | C32 | N32 | H322 | 176.2° | 66.2° |
| C32 | C42 | C52 | H42 | 121.9° | 120.3° |
| C32 | C42 | C52 | O52 | 177.9° | 175.8° |
| C32 | C42 | C52 | C62 | 59.2° | 58.2° |
| C32 | C42 | C52 | H52 | 62.0° | 62.6° |
| H32 | C32 | N32 | H321 | 59.4° | 60.8° |
| H32 | C32 | N32 | H322 | 65.8° | 53.0° |
| H32 | C32 | C42 | C52 | 62.1° | 58.9° |
| H32 | C32 | C42 | H42 | 178.7° | 179.3° |
| C42 | C52 | O52 | C62 | 121.4° | 119.0° |
| C42 | C52 | O52 | H52 | 117.2° | 121.8° |
| C42 | C52 | C62 | H52 | 117.2° | 121.0° |
| C42 | C52 | O52 | C13 | 136.6° | 113.0° |
| C42 | C52 | C62 | O62 | 179.8° | 179.9° |
| C42 | C52 | C62 | H62 | 60.6° | 60.7° |
| H42 | C42 | C52 | O52 | 56.0° | 55.5° |
| H42 | C42 | C52 | C62 | 62.7° | 62.1° |
| H42 | C42 | C52 | H52 | 176.0° | 177.1° |
| O52 | C52 | C62 | H52 | 120.2° | 119.2° |
| O52 | C52 | C62 | O62 | 57.6° | 60.2° |
| O52 | C52 | C62 | H62 | 62.0° | 59.0° |
| C52 | O52 | C13 | C23 | 176.6° | 176.7° |
| C52 | O52 | C13 | O43 | 67.7° | 62.6° |
| C52 | O52 | C13 | H13 | 54.7° | 62.3° |
| C62 | C52 | O52 | C13 | 101.9° | 127.9° |
| C52 | C62 | O62 | H62 | 118.9° | 119.0° |
| C52 | C62 | O62 | H4 | 58.5° | 178.3° |
| H52 | C52 | O52 | C13 | 19.4° | 8.8° |
| H52 | C52 | C62 | O62 | 62.6° | 59.1° |
| H52 | C52 | C62 | H62 | 177.8° | 178.2° |
| O52 | C13 | C23 | O43 | 116.7° | 115.4° |
| O52 | C13 | C23 | H13 | 121.0° | 120.2° |
| O52 | C13 | O43 | H13 | 120.9° | 122.5° |
| O52 | C13 | C23 | O23 | 103.6° | 107.5° |
| O52 | C13 | C23 | C33 | 134.0° | 133.8° |
| O52 | C13 | C23 | H23 | 13.0° | 14.8° |
| O52 | C13 | O43 | C43 | 114.9° | 146.8° |
| H62 | C62 | O62 | H4 | 60.4° | 59.3° |
| C23 | C13 | O43 | H13 | 121.8° | 122.6° |
| C13 | C23 | O23 | C33 | 116.3° | 115.2° |
| C13 | C23 | O23 | H23 | 122.7° | 122.5° |
| C13 | C23 | C33 | H23 | 122.7° | 119.0° |
| C13 | C23 | O23 | H5 | 180.0° | 64.8° |
| C13 | C23 | C33 | O33 | 90.5° | 119.2° |
| C13 | C23 | C33 | C43 | 29.5° | 0.7° |
| C13 | C23 | C33 | H33 | 151.3° | 118.4° |
| C23 | C13 | O43 | C43 | 2.5° | 32.0° |
| O43 | C13 | C23 | O23 | 139.7° | 137.0° |
| O43 | C13 | C23 | C33 | 17.3° | 18.3° |
| O43 | C13 | C23 | H23 | 103.6° | 100.6° |
| C13 | O43 | C43 | C33 | 21.5° | 32.6° |
| C13 | O43 | C43 | C53 | 99.8° | 149.2° |
| C13 | O43 | C43 | H43 | 142.1° | 89.8° |
| H13 | C13 | C23 | O23 | 17.4° | 12.7° |
| H13 | C13 | C23 | C33 | 105.0° | 106.0° |
| H13 | C13 | C23 | H23 | 134.0° | 135.1° |
| H13 | C13 | O43 | C43 | 124.2° | 90.6° |
| O23 | C23 | C33 | H23 | 116.6° | 122.3° |
| O23 | C23 | C33 | O33 | 30.2° | 0.5° |
| O23 | C23 | C33 | C43 | 150.2° | 118.0° |
| O23 | C23 | C33 | H33 | 88.0° | 122.9° |
| C33 | C23 | O23 | H5 | 63.8° | 180.0° |
| C23 | C33 | O33 | C43 | 114.8° | 114.6° |
| C23 | C33 | O33 | H33 | 123.1° | 122.5° |
| C23 | C33 | C43 | H33 | 122.8° | 118.8° |
| C23 | C33 | O33 | C14 | 147.0° | 93.2° |
| C23 | C33 | C43 | O43 | 31.4° | 19.4° |
| C23 | C33 | C43 | C53 | 87.2° | 135.1° |
| C23 | C33 | C43 | H43 | 154.5° | 103.7° |
| H23 | C23 | O23 | H5 | 57.3° | 57.7° |
| H23 | C23 | C33 | O33 | 146.8° | 121.8° |
| H23 | C23 | C33 | C43 | 93.1° | 119.6° |
| H23 | C23 | C33 | H33 | 28.6° | 0.6° |
| O33 | C33 | C43 | H33 | 118.3° | 122.7° |
| O33 | C33 | C43 | O43 | 87.5° | 138.0° |
| O33 | C33 | C43 | C53 | 153.8° | 106.3° |
| O33 | C33 | C43 | H43 | 35.5° | 14.9° |
| C33 | O33 | C14 | C24 | 178.2° | 169.7° |
| C33 | O33 | C14 | O54 | 59.5° | 70.0° |
| C33 | O33 | C14 | H14 | 59.0° | 49.9° |
| C43 | C33 | O33 | C14 | 98.2° | 152.2° |
| C33 | C43 | O43 | C53 | 121.3° | 116.7° |
| C33 | C43 | O43 | H43 | 120.5° | 122.4° |
| C33 | C43 | C53 | H43 | 120.7° | 122.2° |
| C33 | C43 | C53 | H531 | 38.5° | 108.7° |
| C33 | C43 | C53 | H532 | 71.0° | 10.3° |
| H33 | C33 | O33 | C14 | 23.9° | 29.3° |
| H33 | C33 | C43 | O43 | 154.2° | 99.3° |
| H33 | C33 | C43 | C53 | 35.5° | 16.4° |
| H33 | C33 | C43 | H43 | 82.8° | 137.6° |
| O33 | C14 | C24 | O54 | 123.3° | 120.0° |
| O33 | C14 | C24 | H14 | 118.1° | 119.8° |
| O33 | C14 | O54 | H14 | 118.0° | 119.9° |
| O33 | C14 | C24 | N24 | 57.1° | 61.4° |
| O33 | C14 | C24 | C34 | 179.1° | 178.7° |
| O33 | C14 | C24 | H24 | 60.9° | 58.8° |
| O33 | C14 | O54 | C54 | 179.3° | 172.4° |
| O43 | C43 | C53 | H43 | 123.1° | 122.8° |
| O43 | C43 | C53 | H531 | 77.6° | 136.2° |
| O43 | C43 | C53 | H532 | 172.8° | 104.7° |
| C43 | C53 | H531 | H532 | 117.4° | 119.2° |
| H43 | C43 | C53 | H531 | 159.2° | 13.5° |
| H43 | C43 | C53 | H532 | 49.7° | 132.5° |
| C24 | C14 | O54 | H14 | 119.2° | 120.1° |
| C14 | C24 | N24 | C34 | 121.8° | 119.5° |
| C14 | C24 | N24 | H24 | 118.2° | 120.2° |
| C14 | C24 | C34 | H24 | 118.4° | 119.9° |
| C14 | C24 | N24 | H241 | 180.0° | 60.1° |
| C14 | C24 | N24 | H242 | 54.7° | 173.8° |
| C14 | C24 | C34 | O34 | 62.8° | 66.2° |
| C14 | C24 | C34 | C44 | 58.3° | 53.7° |
| C14 | C24 | C34 | H34 | 177.4° | 173.5° |
| C24 | C14 | O54 | C54 | 56.5° | 67.6° |
| O54 | C14 | C24 | N24 | 66.3° | 58.6° |
| O54 | C14 | C24 | C34 | 55.8° | 61.3° |
| O54 | C14 | C24 | H24 | 175.8° | 178.8° |
| C14 | O54 | C54 | C44 | 54.8° | 67.6° |
| C14 | O54 | C54 | C64 | 178.7° | 172.3° |
| C14 | O54 | C54 | H54 | 61.8° | 52.4° |
| H14 | C14 | C24 | N24 | 175.1° | 178.8° |
| H14 | C14 | C24 | C34 | 62.8° | 58.9° |
| H14 | C14 | C24 | H24 | 57.2° | 61.0° |
| H14 | C14 | O54 | C54 | 62.7° | 52.5° |
| N24 | C24 | C34 | H24 | 118.1° | 120.2° |
| C24 | N24 | H241 | H242 | 125.3° | 113.8° |
| N24 | C24 | C34 | O34 | 173.6° | 173.9° |
| N24 | C24 | C34 | C44 | 65.3° | 66.2° |
| N24 | C24 | C34 | H34 | 53.8° | 53.6° |
| C34 | C24 | N24 | H241 | 58.2° | 179.6° |
| C34 | C24 | N24 | H242 | 176.5° | 66.6° |
| C24 | C34 | O34 | C44 | 122.2° | 119.2° |
| C24 | C34 | O34 | H34 | 118.7° | 120.3° |
| C24 | C34 | C44 | H34 | 118.6° | 119.7° |
| C24 | C34 | O34 | H6 | 180.0° | 180.0° |
| C24 | C34 | C44 | O44 | 66.0° | 66.3° |
| C24 | C34 | C44 | C54 | 56.0° | 53.8° |
| C24 | C34 | C44 | H44 | 174.9° | 173.6° |
| H24 | C24 | N24 | H241 | 61.8° | 60.2° |
| H24 | C24 | N24 | H242 | 63.5° | 53.6° |
| H24 | C24 | C34 | O34 | 55.6° | 53.7° |
| H24 | C24 | C34 | C44 | 176.7° | 173.6° |
| H24 | C24 | C34 | H34 | 64.3° | 66.7° |
| O34 | C34 | C44 | H34 | 119.8° | 120.5° |
| O34 | C34 | C44 | O44 | 172.4° | 174.0° |
| O34 | C34 | C44 | C54 | 65.6° | 66.0° |
| O34 | C34 | C44 | H44 | 53.3° | 53.8° |
| C44 | C34 | O34 | H6 | 57.7° | 60.8° |
| C34 | C44 | O44 | C54 | 120.7° | 119.7° |
| C34 | C44 | O44 | H44 | 120.5° | 120.1° |
| C34 | C44 | C54 | H44 | 120.5° | 119.8° |
| C34 | C44 | O44 | H7 | 180.0° | 60.0° |
| C34 | C44 | C54 | O54 | 52.5° | 61.4° |
| C34 | C44 | C54 | C64 | 177.2° | 178.6° |
| C34 | C44 | C54 | H54 | 66.1° | 58.7° |
| H34 | C34 | O34 | H6 | 61.4° | 59.7° |
| H34 | C34 | C44 | O44 | 52.6° | 53.5° |
| H34 | C34 | C44 | C54 | 174.6° | 173.5° |
| H34 | C34 | C44 | H44 | 66.5° | 66.7° |
| O44 | C44 | C54 | H44 | 119.0° | 120.2° |
| O44 | C44 | C54 | O54 | 68.0° | 58.6° |
| O44 | C44 | C54 | C64 | 56.7° | 61.5° |
| O44 | C44 | C54 | H54 | 173.4° | 178.6° |
| C54 | C44 | O44 | H7 | 59.3° | 179.6° |
| C44 | C54 | O54 | C64 | 126.5° | 120.1° |
| C44 | C54 | O54 | H54 | 116.6° | 120.0° |
| C44 | C54 | C64 | H54 | 116.3° | 119.9° |
| C44 | C54 | C64 | N64 | 169.8° | 179.9° |
| C44 | C54 | C64 | H641 | 44.6° | 59.9° |
| C44 | C54 | C64 | H642 | 64.9° | 60.1° |
| H44 | C44 | O44 | H7 | 59.5° | 60.2° |
| H44 | C44 | C54 | O54 | 173.0° | 178.8° |
| H44 | C44 | C54 | C64 | 62.2° | 58.8° |
| H44 | C44 | C54 | H54 | 54.4° | 61.1° |
| O54 | C54 | C64 | H54 | 118.6° | 119.9° |
| O54 | C54 | C64 | N64 | 44.8° | 59.9° |
| O54 | C54 | C64 | H641 | 80.5° | 179.9° |
| O54 | C54 | C64 | H642 | 170.0° | 60.1° |
| C54 | C64 | N64 | H641 | 125.3° | 120.0° |
| C54 | C64 | N64 | H642 | 125.3° | 120.0° |
| C54 | C64 | H641 | H642 | 115.8° | 120.0° |
| C54 | C64 | N64 | H21A | 180.0° | 66.2° |
| C54 | C64 | N64 | H22 | 54.8° | 180.0° |
| H54 | C54 | C64 | N64 | 73.8° | 60.1° |
| H54 | C54 | C64 | H641 | 160.9° | 60.0° |
| H54 | C54 | C64 | H642 | 51.4° | 180.0° |
| N64 | C64 | H641 | H642 | 115.6° | 120.0° |
| C64 | N64 | H21A | H22 | 125.3° | 113.8° |
| H641 | C64 | N64 | H21A | 54.7° | 173.8° |
| H641 | C64 | N64 | H22 | 70.5° | 59.9° |
| H642 | C64 | N64 | H21A | 54.7° | 53.8° |
| H642 | C64 | N64 | H22 | 179.9° | 60.1° |
