A1DB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | C17 | sing | 1.47Å | 1.47Å | |
| N12 | S09 | sing | 1.66Å | 1.76Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.63Å | |
| C21 | N20 | sing | 1.47Å | 1.52Å | |
| C22 | C26 | sing | 1.53Å | 1.20Å | |
| C24 | C23 | sing | 1.53Å | 1.31Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.67Å | |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C28 | O29 | doub | 1.21Å | 1.18Å | |
| C28 | O30 | sing | 1.34Å | 1.39Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C18 | sing | 1.48Å | 1.59Å | |
| C07 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.85Å | |
| C14 | O15 | sing | 1.43Å | 1.38Å | |
| C16 | O15 | sing | 1.43Å | 1.39Å | |
| C18 | N20 | sing | 1.35Å | 1.53Å | |
| C18 | O19 | doub | 1.22Å | 1.18Å | |
| C27 | N20 | sing | 1.46Å | 1.30Å | |
| C31 | O30 | sing | 1.45Å | 1.42Å | |
| O10 | S09 | doub | 1.42Å | 1.43Å | |
| O11 | S09 | doub | 1.42Å | 1.48Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.08Å | 1.08Å | |
| C05 | H19 | sing | 1.08Å | 1.08Å | |
| C07 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C17 | 108.4° | 118.1° |
| C13 | N12 | S09 | 120.8° | 121.0° |
| N12 | C13 | C14 | 113.1° | 108.4° |
| N12 | C13 | H1 | 108.6° | 109.7° |
| N12 | C13 | H2 | 108.6° | 109.7° |
| C17 | N12 | S09 | 120.9° | 121.0° |
| N12 | C17 | C16 | 113.1° | 108.4° |
| N12 | C17 | H3 | 108.6° | 109.7° |
| N12 | C17 | H4 | 108.5° | 109.6° |
| N12 | S09 | C08 | 111.2° | 107.2° |
| N12 | S09 | O10 | 111.1° | 106.4° |
| N12 | S09 | O11 | 110.9° | 106.4° |
| C13 | C14 | O15 | 112.7° | 109.3° |
| C14 | C13 | H1 | 108.6° | 109.7° |
| C14 | C13 | H2 | 108.6° | 109.7° |
| C13 | C14 | H21 | 108.6° | 109.5° |
| C13 | C14 | H22 | 108.7° | 109.5° |
| C17 | C16 | O15 | 112.2° | 109.2° |
| C16 | C17 | H3 | 108.6° | 109.7° |
| C16 | C17 | H4 | 108.6° | 109.7° |
| C17 | C16 | H23 | 108.8° | 109.5° |
| C17 | C16 | H24 | 108.8° | 109.5° |
| C22 | C21 | N20 | 105.9° | 109.4° |
| C21 | C22 | C26 | 105.8° | 109.4° |
| C22 | C21 | H5 | 110.3° | 109.5° |
| C22 | C21 | H6 | 110.4° | 109.5° |
| C21 | C22 | H7 | 110.4° | 109.5° |
| C21 | C22 | H8 | 110.4° | 109.5° |
| C21 | N20 | C18 | 126.3° | 120.0° |
| C21 | N20 | C27 | 106.2° | 119.9° |
| N20 | C21 | H5 | 110.4° | 109.5° |
| N20 | C21 | H6 | 110.4° | 109.5° |
| C22 | C26 | C25 | 106.1° | 109.5° |
| C26 | C22 | H7 | 110.4° | 109.5° |
| C26 | C22 | H8 | 110.4° | 109.4° |
| C22 | C26 | H11 | 110.3° | 109.5° |
| C22 | C26 | H12 | 110.3° | 109.4° |
| C23 | C24 | C25 | 105.3° | 109.4° |
| C23 | C24 | H9 | 110.5° | 109.5° |
| C23 | C24 | H10 | 110.5° | 109.5° |
| C24 | C23 | H25 | 109.5° | 109.5° |
| C24 | C23 | H26 | 109.5° | 109.5° |
| C24 | C23 | H27 | 109.5° | 109.4° |
| C24 | C25 | C26 | 105.7° | 109.5° |
| C25 | C24 | H9 | 110.5° | 109.4° |
| C25 | C24 | H10 | 110.5° | 109.5° |
| C24 | C25 | H28 | 110.4° | 109.4° |
| C24 | C25 | H29 | 110.4° | 109.5° |
| C25 | C26 | H11 | 110.3° | 109.5° |
| C25 | C26 | H12 | 110.3° | 109.5° |
| C26 | C25 | H28 | 110.4° | 109.5° |
| C26 | C25 | H29 | 110.4° | 109.5° |
| C27 | C28 | O29 | 120.3° | 120.0° |
| C27 | C28 | O30 | 119.8° | 120.0° |
| C28 | C27 | N20 | 110.6° | 109.5° |
| C28 | C27 | H30 | 109.2° | 109.5° |
| C28 | C27 | H31 | 109.2° | 109.5° |
| O29 | C28 | O30 | 119.9° | 120.0° |
| C28 | O30 | C31 | 113.7° | 117.0° |
| C01 | C02 | C03 | 112.3° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C01 | C02 | H16 | 108.8° | 109.5° |
| C01 | C02 | H17 | 108.8° | 109.5° |
| C02 | C03 | C04 | 119.9° | 119.8° |
| C02 | C03 | C08 | 120.2° | 119.9° |
| C03 | C02 | H16 | 108.8° | 109.4° |
| C03 | C02 | H17 | 108.8° | 109.4° |
| C04 | C03 | C08 | 119.9° | 120.3° |
| C03 | C04 | C05 | 120.1° | 120.1° |
| C03 | C04 | H18 | 120.0° | 119.9° |
| C03 | C08 | C07 | 119.9° | 120.2° |
| C03 | C08 | S09 | 120.5° | 119.9° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C05 | C04 | H18 | 119.9° | 120.0° |
| C04 | C05 | H19 | 120.0° | 120.0° |
| C05 | C06 | C07 | 119.9° | 119.7° |
| C05 | C06 | C18 | 119.7° | 120.1° |
| C06 | C05 | H19 | 119.9° | 120.1° |
| C07 | C06 | C18 | 120.4° | 120.2° |
| C06 | C07 | C08 | 120.1° | 119.9° |
| C06 | C07 | H20 | 120.0° | 120.0° |
| C06 | C18 | N20 | 119.9° | 120.0° |
| C06 | C18 | O19 | 119.8° | 120.0° |
| C07 | C08 | S09 | 119.6° | 119.9° |
| C08 | C07 | H20 | 119.9° | 120.1° |
| C08 | S09 | O10 | 110.5° | 106.4° |
| C08 | S09 | O11 | 111.3° | 106.4° |
| C14 | O15 | C16 | 112.6° | 114.1° |
| O15 | C14 | H21 | 108.7° | 109.5° |
| O15 | C14 | H22 | 108.6° | 109.5° |
| O15 | C16 | H23 | 108.8° | 109.5° |
| O15 | C16 | H24 | 108.8° | 109.5° |
| N20 | C18 | O19 | 120.3° | 120.0° |
| C18 | N20 | C27 | 127.5° | 120.1° |
| N20 | C27 | H30 | 109.2° | 109.5° |
| N20 | C27 | H31 | 109.2° | 109.4° |
| O30 | C31 | H32 | 109.5° | 109.5° |
| O30 | C31 | H33 | 109.5° | 109.5° |
| O30 | C31 | H34 | 109.5° | 109.5° |
| O10 | S09 | O11 | 101.3° | 123.1° |
| H1 | C13 | H2 | 109.5° | 109.7° |
| H3 | C17 | H4 | 109.4° | 109.8° |
| H5 | C21 | H6 | 109.4° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H13 | C01 | H14 | 109.4° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H16 | C02 | H17 | 109.4° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.6° |
| H23 | C16 | H24 | 109.5° | 109.6° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.4° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.4° |
| H32 | C31 | H34 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C17 | S09 | 145.8° | 179.7° |
| N12 | C13 | C14 | H1 | 120.5° | 119.7° |
| N12 | C13 | C14 | H2 | 120.5° | 119.7° |
| C13 | N12 | C17 | C16 | 50.7° | 50.5° |
| C13 | N12 | S09 | C08 | 145.2° | 86.4° |
| N12 | C13 | C14 | O15 | 53.5° | 52.3° |
| C13 | N12 | S09 | O10 | 21.6° | 160.1° |
| C13 | N12 | S09 | O11 | 90.4° | 27.1° |
| N12 | C13 | H1 | H2 | 118.4° | 120.5° |
| C13 | N12 | C17 | H3 | 69.8° | 170.2° |
| C13 | N12 | C17 | H4 | 171.3° | 69.2° |
| N12 | C13 | C14 | H21 | 67.0° | 172.2° |
| N12 | C13 | C14 | H22 | 173.9° | 67.6° |
| C17 | N12 | C13 | C14 | 50.1° | 50.5° |
| N12 | C17 | C16 | H3 | 120.6° | 119.8° |
| N12 | C17 | C16 | H4 | 120.5° | 119.6° |
| C17 | N12 | S09 | C08 | 73.1° | 93.9° |
| N12 | C17 | C16 | O15 | 54.3° | 52.3° |
| C17 | N12 | S09 | O10 | 163.2° | 19.6° |
| C17 | N12 | S09 | O11 | 51.3° | 152.5° |
| C17 | N12 | C13 | H1 | 170.6° | 69.2° |
| C17 | N12 | C13 | H2 | 70.4° | 170.2° |
| N12 | C17 | H3 | H4 | 118.3° | 120.5° |
| N12 | C17 | C16 | H23 | 174.7° | 67.6° |
| N12 | C17 | C16 | H24 | 66.1° | 172.2° |
| S09 | N12 | C13 | C14 | 95.8° | 129.2° |
| S09 | N12 | C17 | C16 | 95.1° | 129.2° |
| N12 | S09 | C08 | C03 | 61.0° | 166.4° |
| N12 | S09 | C08 | C07 | 119.0° | 13.3° |
| N12 | S09 | C08 | O10 | 124.0° | 113.5° |
| N12 | S09 | C08 | O11 | 124.2° | 113.6° |
| N12 | S09 | O10 | O11 | 117.9° | 123.0° |
| S09 | N12 | C13 | H1 | 24.8° | 111.1° |
| S09 | N12 | C13 | H2 | 143.7° | 9.5° |
| S09 | N12 | C17 | H3 | 144.4° | 9.4° |
| S09 | N12 | C17 | H4 | 25.5° | 111.2° |
| C13 | C14 | O15 | H21 | 120.5° | 119.9° |
| C13 | C14 | O15 | H22 | 120.5° | 120.0° |
| C13 | C14 | O15 | C16 | 55.0° | 62.6° |
| C14 | C13 | H1 | H2 | 118.4° | 120.5° |
| C13 | C14 | H21 | H22 | 118.6° | 120.1° |
| C17 | C16 | O15 | C14 | 55.3° | 62.6° |
| C17 | C16 | O15 | H23 | 120.4° | 119.9° |
| C17 | C16 | O15 | H24 | 120.4° | 119.9° |
| C16 | C17 | H3 | H4 | 118.4° | 120.5° |
| C17 | C16 | H23 | H24 | 118.7° | 120.2° |
| C22 | C21 | N20 | H5 | 119.4° | 120.0° |
| C22 | C21 | N20 | H6 | 119.5° | 120.0° |
| C21 | C22 | C26 | H7 | 119.4° | 120.0° |
| C21 | C22 | C26 | H8 | 119.4° | 120.0° |
| C21 | C22 | C26 | C25 | 95.2° | 180.0° |
| C22 | C21 | N20 | C18 | 167.9° | 90.0° |
| C22 | C21 | N20 | C27 | 11.4° | 90.0° |
| C22 | C21 | H5 | H6 | 121.6° | 120.0° |
| C21 | C22 | H7 | H8 | 121.7° | 120.0° |
| C21 | C22 | C26 | H11 | 24.2° | 59.9° |
| C21 | C22 | C26 | H12 | 145.3° | 60.0° |
| N20 | C21 | C22 | C26 | 24.6° | 180.0° |
| C21 | N20 | C27 | C28 | 121.5° | 84.2° |
| C21 | N20 | C18 | C06 | 0.4° | 177.6° |
| C21 | N20 | C18 | C27 | 179.1° | 180.0° |
| C21 | N20 | C18 | O19 | 179.6° | 2.4° |
| N20 | C21 | H5 | H6 | 121.6° | 120.0° |
| N20 | C21 | C22 | H7 | 94.8° | 60.0° |
| N20 | C21 | C22 | H8 | 144.0° | 60.1° |
| C21 | N20 | C27 | H30 | 1.3° | 35.9° |
| C21 | N20 | C27 | H31 | 118.3° | 155.9° |
| C22 | C26 | C25 | C24 | 8.4° | 180.0° |
| C22 | C26 | C25 | H11 | 119.5° | 120.0° |
| C22 | C26 | C25 | H12 | 119.5° | 120.0° |
| C26 | C22 | C21 | H5 | 94.9° | 60.0° |
| C26 | C22 | C21 | H6 | 144.0° | 60.0° |
| C26 | C22 | H7 | H8 | 121.7° | 120.0° |
| C22 | C26 | H11 | H12 | 121.5° | 120.0° |
| C22 | C26 | C25 | H28 | 127.8° | 60.0° |
| C22 | C26 | C25 | H29 | 111.0° | 60.0° |
| C23 | C24 | C25 | H9 | 119.3° | 120.0° |
| C23 | C24 | C25 | H10 | 119.3° | 120.0° |
| C23 | C24 | C25 | C26 | 15.5° | 180.0° |
| C23 | C24 | H9 | H10 | 121.9° | 120.0° |
| C24 | C23 | H25 | H26 | 120.0° | 120.0° |
| C24 | C23 | H25 | H27 | 120.0° | 120.0° |
| C24 | C23 | H26 | H27 | 120.0° | 119.9° |
| C23 | C24 | C25 | H28 | 103.9° | 60.0° |
| C23 | C24 | C25 | H29 | 134.9° | 60.0° |
| C24 | C25 | C26 | H28 | 119.4° | 120.0° |
| C24 | C25 | C26 | H29 | 119.4° | 120.0° |
| C25 | C24 | H9 | H10 | 122.0° | 120.0° |
| C24 | C25 | C26 | H11 | 127.9° | 60.0° |
| C24 | C25 | C26 | H12 | 111.1° | 60.0° |
| C25 | C24 | C23 | H25 | 180.0° | 60.0° |
| C25 | C24 | C23 | H26 | 60.0° | 60.0° |
| C25 | C24 | C23 | H27 | 60.0° | 180.0° |
| C24 | C25 | H28 | H29 | 121.8° | 120.0° |
| C25 | C26 | C22 | H7 | 145.4° | 60.0° |
| C25 | C26 | C22 | H8 | 24.2° | 60.0° |
| C26 | C25 | C24 | H9 | 134.8° | 60.0° |
| C26 | C25 | C24 | H10 | 103.8° | 60.0° |
| C25 | C26 | H11 | H12 | 121.5° | 120.0° |
| C26 | C25 | H28 | H29 | 121.7° | 120.0° |
| C27 | C28 | O29 | O30 | 179.7° | 180.0° |
| C28 | C27 | N20 | C18 | 59.3° | 95.8° |
| C28 | C27 | N20 | H30 | 120.2° | 120.0° |
| C28 | C27 | N20 | H31 | 120.2° | 119.9° |
| C27 | C28 | O30 | C31 | 134.0° | 180.0° |
| C28 | C27 | H30 | H31 | 119.5° | 120.0° |
| O29 | C28 | C27 | N20 | 23.7° | 0.0° |
| O29 | C28 | O30 | C31 | 46.3° | 0.0° |
| O29 | C28 | C27 | H30 | 96.4° | 120.0° |
| O29 | C28 | C27 | H31 | 143.9° | 120.0° |
| O30 | C28 | C27 | N20 | 156.6° | 180.0° |
| O30 | C28 | C27 | H30 | 83.3° | 60.0° |
| O30 | C28 | C27 | H31 | 36.4° | 60.0° |
| C28 | O30 | C31 | H32 | 180.0° | 60.0° |
| C28 | O30 | C31 | H33 | 60.0° | 60.0° |
| C28 | O30 | C31 | H34 | 60.0° | 180.0° |
| C01 | C02 | C03 | H16 | 120.4° | 120.0° |
| C01 | C02 | C03 | H17 | 120.4° | 120.0° |
| C01 | C02 | C03 | C04 | 22.9° | 93.2° |
| C01 | C02 | C03 | C08 | 157.3° | 86.5° |
| C02 | C01 | H13 | H14 | 120.0° | 120.1° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | H16 | H17 | 118.7° | 120.1° |
| C02 | C03 | C04 | C08 | 179.8° | 179.7° |
| C02 | C03 | C04 | C05 | 180.0° | 180.0° |
| C02 | C03 | C08 | C07 | 179.9° | 179.7° |
| C02 | C03 | C08 | S09 | 0.1° | 0.0° |
| C03 | C02 | C01 | H13 | 180.0° | 174.6° |
| C03 | C02 | C01 | H14 | 60.0° | 54.6° |
| C03 | C02 | C01 | H15 | 60.0° | 65.4° |
| C03 | C02 | H16 | H17 | 118.7° | 119.9° |
| C02 | C03 | C04 | H18 | 0.0° | 0.0° |
| C03 | C04 | C05 | H18 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C04 | C03 | C08 | C07 | 0.1° | 0.6° |
| C04 | C03 | C08 | S09 | 179.9° | 179.7° |
| C04 | C03 | C02 | H16 | 97.5° | 146.8° |
| C04 | C03 | C02 | H17 | 143.3° | 26.9° |
| C03 | C04 | C05 | H19 | 179.8° | 180.0° |
| C08 | C03 | C04 | C05 | 0.1° | 0.4° |
| C03 | C08 | C07 | C06 | 0.0° | 0.6° |
| C03 | C08 | C07 | S09 | 180.0° | 179.7° |
| C03 | C08 | S09 | O10 | 63.0° | 52.9° |
| C03 | C08 | S09 | O11 | 174.7° | 80.0° |
| C08 | C03 | C02 | H16 | 82.3° | 33.5° |
| C08 | C03 | C02 | H17 | 36.8° | 153.5° |
| C08 | C03 | C04 | H18 | 179.9° | 179.7° |
| C03 | C08 | C07 | H20 | 180.0° | 179.8° |
| C04 | C05 | C06 | H19 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.1° |
| C04 | C05 | C06 | C18 | 179.9° | 180.0° |
| C05 | C06 | C07 | C18 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.1° | 0.3° |
| C05 | C06 | C18 | N20 | 113.5° | 44.8° |
| C05 | C06 | C18 | O19 | 66.5° | 135.2° |
| C06 | C05 | C04 | H18 | 179.9° | 180.0° |
| C05 | C06 | C07 | H20 | 179.9° | 180.0° |
| C06 | C07 | C08 | H20 | 180.0° | 179.7° |
| C06 | C07 | C08 | S09 | 179.9° | 179.7° |
| C07 | C06 | C18 | N20 | 66.5° | 135.2° |
| C07 | C06 | C18 | O19 | 113.5° | 44.7° |
| C07 | C06 | C05 | H19 | 179.9° | 180.0° |
| C18 | C06 | C07 | C08 | 180.0° | 179.7° |
| C06 | C18 | N20 | O19 | 180.0° | 180.0° |
| C06 | C18 | N20 | C27 | 179.5° | 2.4° |
| C18 | C06 | C05 | H19 | 0.1° | 0.1° |
| C18 | C06 | C07 | H20 | 0.0° | 0.1° |
| C07 | C08 | S09 | O10 | 117.0° | 126.8° |
| C07 | C08 | S09 | O11 | 5.2° | 100.3° |
| C08 | S09 | O10 | O11 | 118.1° | 122.9° |
| S09 | C08 | C07 | H20 | 0.1° | 0.1° |
| O15 | C14 | C13 | H1 | 174.0° | 67.4° |
| O15 | C14 | C13 | H2 | 67.0° | 172.0° |
| O15 | C14 | H21 | H22 | 118.5° | 120.1° |
| C14 | O15 | C16 | H23 | 175.7° | 57.4° |
| C14 | O15 | C16 | H24 | 65.1° | 177.5° |
| O15 | C16 | C17 | H3 | 66.2° | 172.0° |
| O15 | C16 | C17 | H4 | 174.9° | 67.4° |
| C16 | O15 | C14 | H21 | 65.5° | 177.5° |
| C16 | O15 | C14 | H22 | 175.5° | 57.4° |
| O15 | C16 | H23 | H24 | 118.7° | 120.1° |
| C18 | N20 | C21 | H5 | 72.7° | 30.0° |
| C18 | N20 | C21 | H6 | 48.4° | 150.0° |
| C18 | N20 | C27 | H30 | 179.4° | 144.1° |
| C18 | N20 | C27 | H31 | 60.9° | 24.1° |
| O19 | C18 | N20 | C27 | 0.5° | 177.6° |
| C27 | N20 | C21 | H5 | 108.0° | 150.0° |
| C27 | N20 | C21 | H6 | 130.9° | 30.0° |
| N20 | C27 | H30 | H31 | 119.5° | 120.0° |
| O30 | C31 | H32 | H33 | 120.0° | 119.9° |
| O30 | C31 | H32 | H34 | 120.0° | 120.1° |
| O30 | C31 | H33 | H34 | 120.0° | 120.1° |
| H1 | C13 | C14 | H21 | 53.5° | 52.5° |
| H1 | C13 | C14 | H22 | 65.5° | 172.6° |
| H2 | C13 | C14 | H21 | 172.5° | 68.1° |
| H2 | C13 | C14 | H22 | 53.4° | 52.1° |
| H3 | C17 | C16 | H23 | 54.2° | 52.1° |
| H3 | C17 | C16 | H24 | 173.4° | 68.1° |
| H4 | C17 | C16 | H23 | 64.7° | 172.7° |
| H4 | C17 | C16 | H24 | 54.5° | 52.5° |
| H5 | C21 | C22 | H7 | 145.7° | 60.0° |
| H5 | C21 | C22 | H8 | 24.5° | 180.0° |
| H6 | C21 | C22 | H7 | 24.6° | 179.9° |
| H6 | C21 | C22 | H8 | 96.5° | 60.0° |
| H7 | C22 | C26 | H11 | 95.2° | 179.9° |
| H7 | C22 | C26 | H12 | 25.9° | 60.0° |
| H8 | C22 | C26 | H11 | 143.6° | 60.0° |
| H8 | C22 | C26 | H12 | 95.3° | 180.0° |
| H9 | C24 | C23 | H25 | 60.7° | 59.9° |
| H9 | C24 | C23 | H26 | 59.3° | NaN° |
| H9 | C24 | C23 | H27 | 179.4° | 60.1° |
| H9 | C24 | C25 | H28 | 15.4° | 180.0° |
| H9 | C24 | C25 | H29 | 105.8° | 60.0° |
| H10 | C24 | C23 | H25 | 60.6° | NaN° |
| H10 | C24 | C23 | H26 | 179.4° | 59.9° |
| H10 | C24 | C23 | H27 | 59.3° | 60.0° |
| H10 | C24 | C25 | H28 | 136.8° | 60.0° |
| H10 | C24 | C25 | H29 | 15.6° | 180.0° |
| H11 | C26 | C25 | H28 | 112.7° | 60.0° |
| H11 | C26 | C25 | H29 | 8.5° | 179.9° |
| H12 | C26 | C25 | H28 | 8.4° | NaN° |
| H12 | C26 | C25 | H29 | 129.5° | 60.0° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H13 | C01 | C02 | H16 | 59.5° | 54.7° |
| H13 | C01 | C02 | H17 | 59.6° | 65.4° |
| H14 | C01 | C02 | H16 | 60.4° | 65.4° |
| H14 | C01 | C02 | H17 | 179.6° | 174.6° |
| H15 | C01 | C02 | H16 | 179.5° | 174.7° |
| H15 | C01 | C02 | H17 | 60.4° | 54.6° |
| H18 | C04 | C05 | H19 | 0.1° | 0.0° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| H32 | C31 | H33 | H34 | 120.0° | 120.0° |
