AB9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C21 | sing | 1.53Å | 1.56Å | |
| C11 | O11 | sing | 1.43Å | 1.47Å | |
| C11 | O51 | sing | 1.43Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C22 | sing | 1.53Å | 1.57Å | |
| C12 | N12 | sing | 1.47Å | 1.47Å | |
| C12 | C62 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | C31 | sing | 1.53Å | 1.57Å | |
| C21 | N21 | sing | 1.47Å | 1.44Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | C32 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | N12 | sing | 1.35Å | 1.77Å | |
| C23 | O36 | doub | 1.21Å | 1.07Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | O28 | sing | 1.43Å | 1.40Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | O62 | sing | 1.43Å | 1.44Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.48Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | O31 | sing | 1.43Å | 1.41Å | |
| C31 | C41 | sing | 1.53Å | 1.53Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | N32 | sing | 1.47Å | 1.46Å | |
| C32 | C42 | sing | 1.53Å | 1.51Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | C35 | sing | 1.53Å | 1.56Å | |
| C33 | N34 | sing | 1.47Å | 1.56Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | N31 | sing | 1.47Å | 1.49Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| O11 | C42 | sing | 1.43Å | 1.46Å | |
| N21 | H211 | sing | 1.01Å | 1.00Å | |
| N21 | H212 | sing | 1.01Å | 1.00Å | |
| O31 | H4 | sing | 0.97Å | 0.95Å | |
| C41 | O41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.56Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | H2 | sing | 0.97Å | 0.95Å | |
| C51 | O51 | sing | 1.43Å | 1.44Å | |
| C51 | C61 | sing | 1.53Å | 1.48Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C61 | N61 | sing | 1.47Å | 1.35Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| N61 | H11A | sing | 1.01Å | 1.00Å | |
| N61 | H12A | sing | 1.01Å | 1.00Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 1.01Å | 1.00Å | |
| N32 | H322 | sing | 1.01Å | 1.00Å | |
| C42 | C52 | sing | 1.53Å | 1.59Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | O52 | sing | 1.43Å | 1.46Å | |
| C52 | C62 | sing | 1.53Å | 1.57Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| O52 | H1 | sing | 0.97Å | 0.95Å | |
| C62 | O62 | sing | 1.43Å | 1.39Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| N31 | H31 | sing | 1.01Å | 1.00Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H342 | sing | 1.01Å | 1.00Å | |
| N27 | H271 | sing | 1.01Å | 1.00Å | |
| N27 | H272 | sing | 1.01Å | 1.00Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C11 | O11 | 105.8° | 109.4° |
| C21 | C11 | O51 | 109.9° | 109.8° |
| C21 | C11 | H11 | 112.6° | 109.4° |
| C11 | C21 | C31 | 110.1° | 109.1° |
| C11 | C21 | N21 | 110.7° | 109.6° |
| C11 | C21 | H21 | 108.7° | 109.5° |
| O11 | C11 | O51 | 112.5° | 109.4° |
| O11 | C11 | H11 | 110.1° | 109.4° |
| C11 | O11 | C42 | 120.9° | 106.8° |
| O51 | C11 | H11 | 106.0° | 109.4° |
| C11 | O51 | C51 | 114.9° | 107.6° |
| C22 | C12 | N12 | 109.3° | 109.5° |
| C22 | C12 | C62 | 108.7° | 109.5° |
| C22 | C12 | H12 | 110.5° | 109.5° |
| C12 | C22 | C32 | 111.9° | 109.5° |
| C12 | C22 | H221 | 108.1° | 109.5° |
| C12 | C22 | H222 | 108.7° | 109.5° |
| N12 | C12 | C62 | 110.7° | 109.4° |
| N12 | C12 | H12 | 108.5° | 109.5° |
| C12 | N12 | C23 | 109.5° | 120.0° |
| C12 | N12 | H5 | 125.2° | 120.0° |
| C62 | C12 | H12 | 109.1° | 109.5° |
| C12 | C62 | C52 | 108.6° | 109.5° |
| C12 | C62 | O62 | 109.3° | 109.5° |
| C12 | C62 | H62 | 110.4° | 109.5° |
| C31 | C21 | N21 | 110.6° | 109.5° |
| C31 | C21 | H21 | 108.7° | 109.5° |
| C21 | C31 | O31 | 111.0° | 109.7° |
| C21 | C31 | C41 | 108.1° | 108.6° |
| C21 | C31 | H3 | 109.8° | 109.6° |
| N21 | C21 | H21 | 108.1° | 109.6° |
| C21 | N21 | H211 | 109.5° | 106.7° |
| C21 | N21 | H212 | 109.5° | 106.7° |
| C32 | C22 | H221 | 108.1° | 109.5° |
| C32 | C22 | H222 | 108.7° | 109.5° |
| C22 | C32 | N32 | 110.9° | 109.5° |
| C22 | C32 | C42 | 110.4° | 109.5° |
| C22 | C32 | H32 | 107.7° | 109.4° |
| H221 | C22 | H222 | 111.3° | 109.5° |
| C24 | C23 | N12 | 86.0° | 120.0° |
| C24 | C23 | O36 | 139.5° | 120.0° |
| C23 | C24 | C25 | 107.6° | 109.5° |
| C23 | C24 | O28 | 110.9° | 109.5° |
| C23 | C24 | H24 | 108.7° | 109.4° |
| N12 | C23 | O36 | 134.6° | 120.0° |
| C23 | N12 | H5 | 125.2° | 120.0° |
| C25 | C24 | O28 | 105.9° | 109.5° |
| C25 | C24 | H24 | 113.5° | 109.5° |
| C24 | C25 | C26 | 115.7° | 109.5° |
| C24 | C25 | H251 | 106.0° | 109.5° |
| C24 | C25 | H252 | 107.5° | 109.5° |
| O28 | C24 | H24 | 110.3° | 109.4° |
| C24 | O28 | H28 | 109.5° | 106.7° |
| C26 | C25 | H251 | 106.0° | 109.4° |
| C26 | C25 | H252 | 107.5° | 109.5° |
| C25 | C26 | N27 | 108.4° | 109.5° |
| C25 | C26 | H261 | 110.0° | 109.4° |
| C25 | C26 | H262 | 109.8° | 109.5° |
| H251 | C25 | H252 | 114.4° | 109.5° |
| N27 | C26 | H261 | 110.1° | 109.4° |
| N27 | C26 | H262 | 109.8° | 109.5° |
| C26 | N27 | H271 | 109.5° | 106.7° |
| C26 | N27 | H272 | 109.5° | 106.7° |
| H261 | C26 | H262 | 108.7° | 109.4° |
| C30 | C29 | O62 | 108.6° | 109.5° |
| C30 | C29 | H291 | 109.9° | 109.4° |
| C30 | C29 | H292 | 109.8° | 109.4° |
| C29 | C30 | N31 | 113.6° | 109.4° |
| C29 | C30 | H301 | 107.2° | 109.5° |
| C29 | C30 | H302 | 108.2° | 109.5° |
| O62 | C29 | H291 | 109.9° | 109.5° |
| O62 | C29 | H292 | 109.7° | 109.5° |
| C29 | O62 | C62 | 158.1° | 106.8° |
| H291 | C29 | H292 | 108.8° | 109.5° |
| N31 | C30 | H301 | 107.2° | 109.5° |
| N31 | C30 | H302 | 108.1° | 109.5° |
| C30 | N31 | C35 | 120.1° | 106.7° |
| C30 | N31 | H31 | 106.1° | 106.7° |
| H301 | C30 | H302 | 112.7° | 109.5° |
| O31 | C31 | C41 | 110.7° | 109.6° |
| O31 | C31 | H3 | 107.1° | 109.6° |
| C31 | O31 | H4 | 109.5° | 106.7° |
| C41 | C31 | H3 | 110.1° | 109.6° |
| C31 | C41 | O41 | 111.0° | 109.6° |
| C31 | C41 | C51 | 109.9° | 109.0° |
| C31 | C41 | H41 | 108.4° | 109.6° |
| N32 | C32 | C42 | 109.1° | 109.5° |
| N32 | C32 | H32 | 109.1° | 109.4° |
| C32 | N32 | H321 | 109.5° | 106.7° |
| C32 | N32 | H322 | 109.5° | 106.7° |
| C42 | C32 | H32 | 109.6° | 109.5° |
| C32 | C42 | O11 | 107.6° | 109.5° |
| C32 | C42 | C52 | 110.2° | 109.5° |
| C32 | C42 | H42 | 111.2° | 109.5° |
| C35 | C33 | N34 | 113.7° | 109.5° |
| C35 | C33 | H331 | 107.1° | 109.5° |
| C35 | C33 | H332 | 108.1° | 109.4° |
| C33 | C35 | N31 | 110.0° | 109.5° |
| C33 | C35 | H351 | 109.2° | 109.5° |
| C33 | C35 | H352 | 109.3° | 109.5° |
| N34 | C33 | H331 | 107.1° | 109.5° |
| N34 | C33 | H332 | 108.1° | 109.5° |
| C33 | N34 | H341 | 109.4° | 106.7° |
| C33 | N34 | H342 | 109.5° | 106.6° |
| H331 | C33 | H332 | 112.8° | 109.5° |
| N31 | C35 | H351 | 109.2° | 109.5° |
| N31 | C35 | H352 | 109.3° | 109.5° |
| C35 | N31 | H31 | 106.1° | 106.7° |
| H351 | C35 | H352 | 109.8° | 109.4° |
| O11 | C42 | C52 | 112.1° | 109.5° |
| O11 | C42 | H42 | 109.3° | 109.5° |
| H211 | N21 | H212 | 109.4° | 106.7° |
| O41 | C41 | C51 | 110.3° | 109.5° |
| O41 | C41 | H41 | 108.0° | 109.6° |
| C41 | O41 | H2 | 109.5° | 106.8° |
| C51 | C41 | H41 | 109.1° | 109.5° |
| C41 | C51 | O51 | 111.1° | 109.8° |
| C41 | C51 | C61 | 112.0° | 109.4° |
| C41 | C51 | H51 | 106.2° | 109.4° |
| O51 | C51 | C61 | 108.4° | 109.4° |
| O51 | C51 | H51 | 110.0° | 109.4° |
| C61 | C51 | H51 | 109.1° | 109.4° |
| C51 | C61 | N61 | 109.5° | 109.5° |
| C51 | C61 | H611 | 109.5° | 109.5° |
| C51 | C61 | H612 | 109.5° | 109.5° |
| N61 | C61 | H611 | 109.5° | 109.4° |
| N61 | C61 | H612 | 109.5° | 109.4° |
| C61 | N61 | H11A | 109.4° | 106.7° |
| C61 | N61 | H12A | 109.5° | 106.7° |
| H611 | C61 | H612 | 109.5° | 109.5° |
| H11A | N61 | H12A | 109.5° | 106.7° |
| H321 | N32 | H322 | 109.4° | 106.7° |
| C52 | C42 | H42 | 106.6° | 109.4° |
| C42 | C52 | O52 | 108.6° | 109.5° |
| C42 | C52 | C62 | 108.8° | 109.5° |
| C42 | C52 | H52 | 110.8° | 109.4° |
| O52 | C52 | C62 | 110.4° | 109.5° |
| O52 | C52 | H52 | 109.2° | 109.4° |
| C52 | O52 | H1 | 109.5° | 106.8° |
| C62 | C52 | H52 | 109.0° | 109.4° |
| C52 | C62 | O62 | 110.2° | 109.5° |
| C52 | C62 | H62 | 109.5° | 109.4° |
| O62 | C62 | H62 | 108.8° | 109.4° |
| H341 | N34 | H342 | 109.5° | 106.7° |
| H271 | N27 | H272 | 109.4° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C11 | O11 | O51 | 120.0° | 120.3° |
| C21 | C11 | O11 | H11 | 122.0° | 119.9° |
| C21 | C11 | O51 | H11 | 122.0° | 120.1° |
| C11 | C21 | C31 | N21 | 122.6° | 119.9° |
| C11 | C21 | C31 | H21 | 118.9° | 119.9° |
| C11 | C21 | N21 | H21 | 118.9° | 120.2° |
| C11 | C21 | C31 | O31 | 179.8° | 173.6° |
| C11 | C21 | C31 | C41 | 58.2° | 53.7° |
| C11 | C21 | C31 | H3 | 61.9° | 66.0° |
| C21 | C11 | O11 | C42 | 154.5° | 164.8° |
| C11 | C21 | N21 | H211 | 91.7° | 60.4° |
| C11 | C21 | N21 | H212 | 28.3° | 174.2° |
| C21 | C11 | O51 | C51 | 55.7° | 67.6° |
| O11 | C11 | O51 | H11 | 120.4° | 119.8° |
| O11 | C11 | C21 | C31 | 66.2° | 58.8° |
| O11 | C11 | C21 | N21 | 56.4° | 61.1° |
| O11 | C11 | C21 | H21 | 174.9° | 178.7° |
| C11 | O11 | C42 | C32 | 147.0° | 146.3° |
| O11 | C11 | O51 | C51 | 62.0° | 52.5° |
| C11 | O11 | C42 | C52 | 91.8° | 93.6° |
| C11 | O11 | C42 | H42 | 26.2° | 26.3° |
| O51 | C11 | C21 | C31 | 55.5° | 61.3° |
| O51 | C11 | C21 | N21 | 178.2° | 178.8° |
| O51 | C11 | C21 | H21 | 63.4° | 58.6° |
| O51 | C11 | O11 | C42 | 85.4° | 74.9° |
| C11 | O51 | C51 | C41 | 56.5° | 67.6° |
| C11 | O51 | C51 | C61 | 179.9° | 172.4° |
| C11 | O51 | C51 | H51 | 60.9° | 52.5° |
| H11 | C11 | C21 | C31 | 173.5° | 178.6° |
| H11 | C11 | C21 | N21 | 63.9° | 58.7° |
| H11 | C11 | C21 | H21 | 54.6° | 61.5° |
| H11 | C11 | O11 | C42 | 32.6° | 45.0° |
| H11 | C11 | O51 | C51 | 177.7° | 172.3° |
| C22 | C12 | N12 | C62 | 119.6° | 120.0° |
| C22 | C12 | N12 | H12 | 120.6° | 120.0° |
| C22 | C12 | C62 | H12 | 120.6° | 120.0° |
| C12 | C22 | C32 | H221 | 119.0° | 120.0° |
| C12 | C22 | C32 | H222 | 120.0° | 120.0° |
| C12 | C22 | H221 | H222 | 119.3° | 120.0° |
| C22 | C12 | N12 | C23 | 87.0° | 85.1° |
| C12 | C22 | C32 | N32 | 178.3° | 180.0° |
| C12 | C22 | C32 | C42 | 57.3° | 60.0° |
| C12 | C22 | C32 | H32 | 62.4° | 60.0° |
| C22 | C12 | N12 | H5 | 93.0° | 95.0° |
| C22 | C12 | C62 | C52 | 60.4° | 60.0° |
| C22 | C12 | C62 | O62 | 179.3° | 180.0° |
| C22 | C12 | C62 | H62 | 59.7° | 60.0° |
| N12 | C12 | C62 | H12 | 119.4° | 120.0° |
| N12 | C12 | C22 | C32 | 179.6° | 180.0° |
| N12 | C12 | C22 | H221 | 61.4° | 60.0° |
| N12 | C12 | C22 | H222 | 59.5° | 60.0° |
| C12 | N12 | C23 | C24 | 179.6° | 180.0° |
| C12 | N12 | C23 | H5 | 180.0° | 179.9° |
| C12 | N12 | C23 | O36 | 0.4° | 0.0° |
| N12 | C12 | C62 | C52 | 179.6° | 180.0° |
| N12 | C12 | C62 | O62 | 59.3° | 60.0° |
| N12 | C12 | C62 | H62 | 60.3° | 60.0° |
| C62 | C12 | C22 | C32 | 58.7° | 60.0° |
| C62 | C12 | C22 | H221 | 177.7° | 180.0° |
| C62 | C12 | C22 | H222 | 61.3° | 60.0° |
| C62 | C12 | N12 | C23 | 153.3° | 155.0° |
| C12 | C62 | O62 | C29 | 147.2° | 150.0° |
| C62 | C12 | N12 | H5 | 26.7° | 25.0° |
| C12 | C62 | C52 | C42 | 61.5° | 59.9° |
| C12 | C62 | C52 | O52 | 179.3° | 180.0° |
| C12 | C62 | C52 | O62 | 119.7° | 120.1° |
| C12 | C62 | C52 | H62 | 120.7° | 120.0° |
| C12 | C62 | C52 | H52 | 59.3° | 60.0° |
| C12 | C62 | O62 | H62 | 120.6° | 120.0° |
| H12 | C12 | C22 | C32 | 61.0° | 60.0° |
| H12 | C12 | C22 | H221 | 58.0° | 60.0° |
| H12 | C12 | C22 | H222 | 178.9° | 180.0° |
| H12 | C12 | N12 | C23 | 33.6° | 35.0° |
| H12 | C12 | N12 | H5 | 146.4° | 145.0° |
| H12 | C12 | C62 | C52 | 60.2° | 60.0° |
| H12 | C12 | C62 | O62 | 60.1° | 60.0° |
| H12 | C12 | C62 | H62 | 179.7° | 180.0° |
| C31 | C21 | N21 | H21 | 118.8° | 120.2° |
| C21 | C31 | O31 | C41 | 120.0° | 119.2° |
| C21 | C31 | O31 | H3 | 119.9° | 120.4° |
| C21 | C31 | C41 | H3 | 120.0° | 119.7° |
| C31 | C21 | N21 | H211 | 146.0° | 180.0° |
| C31 | C21 | N21 | H212 | 94.0° | 66.2° |
| C21 | C31 | O31 | H4 | 86.5° | 179.2° |
| C21 | C31 | C41 | O41 | 179.5° | 173.6° |
| C21 | C31 | C41 | C51 | 58.2° | 53.7° |
| C21 | C31 | C41 | H41 | 61.0° | 66.1° |
| N21 | C21 | C31 | O31 | 57.6° | 66.5° |
| N21 | C21 | C31 | C41 | 179.2° | 173.7° |
| N21 | C21 | C31 | H3 | 60.7° | 53.9° |
| C21 | N21 | H211 | H212 | 120.0° | 113.8° |
| H21 | C21 | C31 | O31 | 60.9° | 53.7° |
| H21 | C21 | C31 | C41 | 60.7° | 66.1° |
| H21 | C21 | C31 | H3 | 179.2° | 174.1° |
| H21 | C21 | N21 | H211 | 27.2° | 59.8° |
| H21 | C21 | N21 | H212 | 147.1° | 54.0° |
| C32 | C22 | H221 | H222 | 119.3° | 120.0° |
| C22 | C32 | N32 | C42 | 121.8° | 120.0° |
| C22 | C32 | N32 | H32 | 118.5° | 120.0° |
| C22 | C32 | C42 | H32 | 118.5° | 120.0° |
| C22 | C32 | C42 | O11 | 179.7° | 180.0° |
| C22 | C32 | N32 | H321 | 147.0° | 50.9° |
| C22 | C32 | N32 | H322 | 93.0° | 164.7° |
| C22 | C32 | C42 | C52 | 57.3° | 60.0° |
| C22 | C32 | C42 | H42 | 60.7° | 60.0° |
| H221 | C22 | C32 | N32 | 62.7° | 60.0° |
| H221 | C22 | C32 | C42 | 176.3° | 180.0° |
| H221 | C22 | C32 | H32 | 56.6° | 60.0° |
| H222 | C22 | C32 | N32 | 58.2° | 60.0° |
| H222 | C22 | C32 | C42 | 62.8° | 60.0° |
| H222 | C22 | C32 | H32 | 177.6° | 180.0° |
| C24 | C23 | N12 | O36 | 180.0° | 180.0° |
| C23 | C24 | C25 | O28 | 118.7° | 120.1° |
| C23 | C24 | C25 | H24 | 120.2° | 120.0° |
| C23 | C24 | O28 | H24 | 120.4° | 119.9° |
| C23 | C24 | C25 | C26 | 128.4° | 175.0° |
| C23 | C24 | C25 | H251 | 114.4° | 55.0° |
| C23 | C24 | C25 | H252 | 8.4° | 65.0° |
| C24 | C23 | N12 | H5 | 0.4° | 0.0° |
| C23 | C24 | O28 | H28 | 45.5° | 60.0° |
| N12 | C23 | C24 | C25 | 179.4° | 65.0° |
| N12 | C23 | C24 | O28 | 65.2° | 174.9° |
| N12 | C23 | C24 | H24 | 56.2° | 55.0° |
| O36 | C23 | C24 | C25 | 0.6° | 115.0° |
| O36 | C23 | C24 | O28 | 114.8° | 5.0° |
| O36 | C23 | C24 | H24 | 123.8° | 125.0° |
| O36 | C23 | N12 | H5 | 179.6° | 180.0° |
| C25 | C24 | O28 | H24 | 123.2° | 120.0° |
| C24 | C25 | C26 | H251 | 117.2° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 118.3° | 120.0° |
| C24 | C25 | C26 | N27 | 179.8° | 179.9° |
| C24 | C25 | C26 | H261 | 59.4° | 60.0° |
| C24 | C25 | C26 | H262 | 60.2° | 60.0° |
| C25 | C24 | O28 | H28 | 161.9° | 60.0° |
| O28 | C24 | C25 | C26 | 112.9° | 65.0° |
| O28 | C24 | C25 | H251 | 4.3° | 175.1° |
| O28 | C24 | C25 | H252 | 127.1° | 55.0° |
| H24 | C24 | C25 | C26 | 8.2° | 55.0° |
| H24 | C24 | C25 | H251 | 125.3° | 65.0° |
| H24 | C24 | C25 | H252 | 111.9° | 175.0° |
| H24 | C24 | O28 | H28 | 74.9° | 180.0° |
| C26 | C25 | H251 | H252 | 118.3° | 120.0° |
| C25 | C26 | N27 | H261 | 120.4° | 119.9° |
| C25 | C26 | N27 | H262 | 120.0° | 120.1° |
| C25 | C26 | H261 | H262 | 120.3° | 120.0° |
| C25 | C26 | N27 | H271 | 164.8° | 66.2° |
| C25 | C26 | N27 | H272 | 75.2° | 180.0° |
| H251 | C25 | C26 | N27 | 63.0° | 60.1° |
| H251 | C25 | C26 | H261 | 176.5° | 180.0° |
| H251 | C25 | C26 | H262 | 57.0° | 60.0° |
| H252 | C25 | C26 | N27 | 59.8° | 59.9° |
| H252 | C25 | C26 | H261 | 60.7° | 60.0° |
| H252 | C25 | C26 | H262 | 179.7° | 179.9° |
| N27 | C26 | H261 | H262 | 120.3° | 120.0° |
| C26 | N27 | H271 | H272 | 120.0° | 113.8° |
| H261 | C26 | N27 | H271 | 44.4° | 53.8° |
| H261 | C26 | N27 | H272 | 164.4° | 60.0° |
| H262 | C26 | N27 | H271 | 75.2° | 173.7° |
| H262 | C26 | N27 | H272 | 44.8° | 59.9° |
| C30 | C29 | O62 | H291 | 120.3° | 120.0° |
| C30 | C29 | O62 | H292 | 120.0° | 120.0° |
| C30 | C29 | H291 | H292 | 120.2° | 120.0° |
| C29 | C30 | N31 | H301 | 118.2° | 120.0° |
| C29 | C30 | N31 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H302 | 118.9° | 120.0° |
| C29 | C30 | N31 | C35 | 179.6° | 180.0° |
| C30 | C29 | O62 | C62 | 167.2° | 180.0° |
| C29 | C30 | N31 | H31 | 59.6° | 66.2° |
| O62 | C29 | H291 | H292 | 120.2° | 120.0° |
| O62 | C29 | C30 | N31 | 98.9° | 65.0° |
| O62 | C29 | C30 | H301 | 142.9° | 55.0° |
| O62 | C29 | C30 | H302 | 21.1° | 175.0° |
| C29 | O62 | C62 | C52 | 93.5° | 89.9° |
| C29 | O62 | C62 | H62 | 26.6° | 30.0° |
| H291 | C29 | C30 | N31 | 140.7° | 175.0° |
| H291 | C29 | C30 | H301 | 22.5° | 65.1° |
| H291 | C29 | C30 | H302 | 99.3° | 55.0° |
| H291 | C29 | O62 | C62 | 72.5° | 60.0° |
| H292 | C29 | C30 | N31 | 21.1° | 55.0° |
| H292 | C29 | C30 | H301 | 97.2° | 175.0° |
| H292 | C29 | C30 | H302 | 141.0° | 65.0° |
| H292 | C29 | O62 | C62 | 47.2° | 60.1° |
| N31 | C30 | H301 | H302 | 118.9° | 120.0° |
| C30 | N31 | C35 | C33 | 177.5° | 180.0° |
| C30 | N31 | C35 | H31 | 120.0° | 113.7° |
| C30 | N31 | C35 | H351 | 62.7° | 60.0° |
| C30 | N31 | C35 | H352 | 57.5° | 60.0° |
| H301 | C30 | N31 | C35 | 61.4° | 60.0° |
| H301 | C30 | N31 | H31 | 58.6° | 173.8° |
| H302 | C30 | N31 | C35 | 60.3° | 60.0° |
| H302 | C30 | N31 | H31 | 179.6° | 53.7° |
| O31 | C31 | C41 | H3 | 118.3° | 120.4° |
| O31 | C31 | C41 | O41 | 57.7° | 66.5° |
| O31 | C31 | C41 | C51 | 180.0° | 173.6° |
| O31 | C31 | C41 | H41 | 60.8° | 53.8° |
| C41 | C31 | O31 | H4 | 153.5° | 60.0° |
| C31 | C41 | O41 | C51 | 122.1° | 119.5° |
| C31 | C41 | O41 | H41 | 118.7° | 120.3° |
| C31 | C41 | C51 | H41 | 118.8° | 119.9° |
| C31 | C41 | O41 | H2 | 25.1° | 60.4° |
| C31 | C41 | C51 | O51 | 57.4° | 61.3° |
| C31 | C41 | C51 | C61 | 178.8° | 178.7° |
| C31 | C41 | C51 | H51 | 62.2° | 58.8° |
| H3 | C31 | O31 | H4 | 33.4° | 60.4° |
| H3 | C31 | C41 | O41 | 60.6° | 53.9° |
| H3 | C31 | C41 | C51 | 61.8° | 66.0° |
| H3 | C31 | C41 | H41 | 179.0° | 174.2° |
| N32 | C32 | C42 | H32 | 119.4° | 120.0° |
| N32 | C32 | C42 | O11 | 58.2° | 60.0° |
| C32 | N32 | H321 | H322 | 120.0° | 113.8° |
| N32 | C32 | C42 | C52 | 179.4° | 180.0° |
| N32 | C32 | C42 | H42 | 61.4° | 60.0° |
| C32 | C42 | O11 | C52 | 121.2° | 120.0° |
| C32 | C42 | O11 | H42 | 120.8° | 120.0° |
| C42 | C32 | N32 | H321 | 25.2° | 170.9° |
| C42 | C32 | N32 | H322 | 145.2° | 75.3° |
| C32 | C42 | C52 | H42 | 120.8° | 120.0° |
| C32 | C42 | C52 | O52 | 179.7° | 180.0° |
| C32 | C42 | C52 | C62 | 60.0° | 60.0° |
| C32 | C42 | C52 | H52 | 59.8° | 60.0° |
| H32 | C32 | C42 | O11 | 61.2° | 60.0° |
| H32 | C32 | N32 | H321 | 94.5° | 69.1° |
| H32 | C32 | N32 | H322 | 25.5° | 44.7° |
| H32 | C32 | C42 | C52 | 61.2° | 60.0° |
| H32 | C32 | C42 | H42 | 179.2° | 180.0° |
| C35 | C33 | N34 | H331 | 118.1° | 120.0° |
| C35 | C33 | N34 | H332 | 120.0° | 119.9° |
| C35 | C33 | H331 | H332 | 118.8° | 120.0° |
| C33 | C35 | N31 | H351 | 119.8° | 120.0° |
| C33 | C35 | N31 | H352 | 120.0° | 120.0° |
| C33 | C35 | H351 | H352 | 119.9° | 120.0° |
| C33 | C35 | N31 | H31 | 57.5° | 66.2° |
| C35 | C33 | N34 | H341 | 128.4° | 180.0° |
| C35 | C33 | N34 | H342 | 8.5° | 66.2° |
| N34 | C33 | H331 | H332 | 118.9° | 120.0° |
| N34 | C33 | C35 | N31 | 180.0° | 180.0° |
| N34 | C33 | C35 | H351 | 60.2° | 59.9° |
| N34 | C33 | C35 | H352 | 60.0° | 60.1° |
| C33 | N34 | H341 | H342 | 120.0° | 113.7° |
| H331 | C33 | C35 | N31 | 61.8° | 60.0° |
| H331 | C33 | C35 | H351 | 178.4° | 180.0° |
| H331 | C33 | C35 | H352 | 58.2° | 60.0° |
| H331 | C33 | N34 | H341 | 10.3° | 59.9° |
| H331 | C33 | N34 | H342 | 109.7° | 53.8° |
| H332 | C33 | C35 | N31 | 60.0° | 60.0° |
| H332 | C33 | C35 | H351 | 59.8° | 60.0° |
| H332 | C33 | C35 | H352 | 180.0° | 180.0° |
| H332 | C33 | N34 | H341 | 111.6° | 60.1° |
| H332 | C33 | N34 | H342 | 128.5° | 173.8° |
| N31 | C35 | H351 | H352 | 119.9° | 120.0° |
| H351 | C35 | N31 | H31 | 177.3° | 173.7° |
| H352 | C35 | N31 | H31 | 62.5° | 53.7° |
| O11 | C42 | C52 | H42 | 119.5° | 120.0° |
| O11 | C42 | C52 | O52 | 60.0° | 60.0° |
| O11 | C42 | C52 | C62 | 179.8° | 180.0° |
| O11 | C42 | C52 | H52 | 60.0° | 60.0° |
| O41 | C41 | C51 | H41 | 118.5° | 120.2° |
| O41 | C41 | C51 | O51 | 179.9° | 178.8° |
| O41 | C41 | C51 | C61 | 58.5° | 58.8° |
| O41 | C41 | C51 | H51 | 60.5° | 61.1° |
| C51 | C41 | O41 | H2 | 97.0° | 180.0° |
| C41 | C51 | O51 | C61 | 123.4° | 120.0° |
| C41 | C51 | O51 | H51 | 117.3° | 120.1° |
| C41 | C51 | C61 | H51 | 117.3° | 119.9° |
| C41 | C51 | C61 | N61 | 179.8° | 174.7° |
| C41 | C51 | C61 | H611 | 59.8° | 54.7° |
| C41 | C51 | C61 | H612 | 60.2° | 65.3° |
| H41 | C41 | O41 | H2 | 143.8° | 59.9° |
| H41 | C41 | C51 | O51 | 61.4° | 58.6° |
| H41 | C41 | C51 | C61 | 60.0° | 61.4° |
| H41 | C41 | C51 | H51 | 179.0° | 178.8° |
| O51 | C51 | C61 | H51 | 119.8° | 119.9° |
| O51 | C51 | C61 | N61 | 56.9° | 65.0° |
| O51 | C51 | C61 | H611 | 63.1° | 175.0° |
| O51 | C51 | C61 | H612 | 176.9° | 55.0° |
| C51 | C61 | N61 | H611 | 120.0° | 120.0° |
| C51 | C61 | N61 | H612 | 120.0° | 120.0° |
| C51 | C61 | H611 | H612 | 120.0° | 120.1° |
| C51 | C61 | N61 | H11A | 35.6° | 180.0° |
| C51 | C61 | N61 | H12A | 155.7° | 66.2° |
| H51 | C51 | C61 | N61 | 62.9° | 54.8° |
| H51 | C51 | C61 | H611 | 177.1° | 65.1° |
| H51 | C51 | C61 | H612 | 57.1° | 174.8° |
| N61 | C61 | H611 | H612 | 120.0° | 119.9° |
| C61 | N61 | H11A | H12A | 120.1° | 113.8° |
| H611 | C61 | N61 | H11A | 84.4° | 60.0° |
| H611 | C61 | N61 | H12A | 35.7° | 173.8° |
| H612 | C61 | N61 | H11A | 155.6° | 59.9° |
| H612 | C61 | N61 | H12A | 84.3° | 53.8° |
| C42 | C52 | O52 | C62 | 119.3° | 120.1° |
| C42 | C52 | O52 | H52 | 120.9° | 120.0° |
| C42 | C52 | C62 | H52 | 120.9° | 120.0° |
| C42 | C52 | O52 | H1 | 1.6° | 67.7° |
| C42 | C52 | C62 | O62 | 178.8° | 180.0° |
| C42 | C52 | C62 | H62 | 59.1° | 60.0° |
| H42 | C42 | C52 | O52 | 59.5° | 60.0° |
| H42 | C42 | C52 | C62 | 60.7° | 60.0° |
| H42 | C42 | C52 | H52 | 179.5° | 180.0° |
| O52 | C52 | C62 | H52 | 120.0° | 120.0° |
| O52 | C52 | C62 | O62 | 59.6° | 59.9° |
| O52 | C52 | C62 | H62 | 60.0° | 60.0° |
| C62 | C52 | O52 | H1 | 120.8° | 172.2° |
| C52 | C62 | O62 | H62 | 120.1° | 120.0° |
| H52 | C52 | O52 | H1 | 119.3° | 52.3° |
| H52 | C52 | C62 | O62 | 60.4° | 60.0° |
| H52 | C52 | C62 | H62 | 180.0° | NaN° |
