U59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | N09 | sing | 1.47Å | 1.47Å | |
| C11 | F12 | sing | 1.40Å | 1.38Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| N09 | C08 | sing | 1.35Å | 1.31Å | Aromatic |
| N09 | N13 | sing | 1.29Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | doub | 1.37Å | 1.40Å | Aromatic |
| N13 | N14 | doub | 1.29Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| C07 | N14 | sing | 1.35Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.52Å | |
| C21 | O20 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.36Å | 1.40Å | Aromatic |
| C06 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| O20 | C19 | sing | 1.36Å | 1.39Å | |
| C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.55Å | |
| C16 | C17 | sing | 1.47Å | 1.52Å | |
| C19 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | N34 | sing | 1.35Å | 1.43Å | |
| C17 | C18 | sing | 1.48Å | 1.51Å | |
| C17 | C33 | doub | 1.36Å | 1.48Å | |
| C18 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| N34 | C33 | sing | 1.36Å | 1.42Å | |
| N34 | C35 | sing | 1.46Å | 1.47Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C27 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | S28 | sing | 1.76Å | 1.78Å | |
| S28 | O31 | doub | 1.42Å | 1.46Å | |
| S28 | O29 | doub | 1.42Å | 1.47Å | |
| S28 | C30 | sing | 1.81Å | 1.80Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N09 | 106.6° | 109.4° |
| C10 | C11 | F12 | 109.7° | 109.5° |
| C11 | C10 | H101 | 110.2° | 109.5° |
| C11 | C10 | H102 | 110.2° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | N09 | C08 | 126.2° | 125.7° |
| C10 | N09 | N13 | 122.4° | 125.8° |
| N09 | C10 | H101 | 110.2° | 109.5° |
| N09 | C10 | H102 | 110.2° | 109.4° |
| F12 | C11 | H112 | 109.4° | 109.5° |
| F12 | C11 | H111 | 109.4° | 109.4° |
| C23 | C24 | C22 | 59.5° | 60.0° |
| C24 | C23 | C22 | 59.4° | 60.0° |
| C23 | C24 | H242 | 120.1° | 117.5° |
| C23 | C24 | H241 | 120.1° | 117.5° |
| C24 | C23 | H232 | 120.1° | 117.5° |
| C24 | C23 | H231 | 120.1° | 117.5° |
| C24 | C22 | C23 | 61.1° | 60.0° |
| C24 | C22 | C21 | 114.5° | 117.5° |
| C24 | C22 | H221 | 117.7° | 117.5° |
| C22 | C24 | H242 | 120.1° | 117.5° |
| C22 | C24 | H241 | 120.1° | 117.5° |
| C08 | N09 | N13 | 111.4° | 108.5° |
| N09 | C08 | C07 | 104.6° | 106.0° |
| N09 | C08 | H081 | 127.7° | 127.0° |
| N09 | N13 | N14 | 108.1° | 110.5° |
| C23 | C22 | C21 | 116.9° | 117.5° |
| C23 | C22 | H221 | 117.7° | 117.6° |
| C22 | C23 | H232 | 120.1° | 117.5° |
| C22 | C23 | H231 | 120.1° | 117.5° |
| C08 | C07 | N14 | 110.5° | 106.1° |
| C08 | C07 | C06 | 127.7° | 127.0° |
| C07 | C08 | H081 | 127.7° | 127.0° |
| N13 | N14 | C07 | 105.4° | 108.8° |
| C22 | C21 | O20 | 103.1° | 109.4° |
| C22 | C21 | H212 | 111.0° | 109.5° |
| C22 | C21 | H211 | 111.0° | 109.4° |
| C21 | C22 | H221 | 117.1° | 115.5° |
| N14 | C07 | C06 | 121.8° | 126.9° |
| C07 | C06 | C05 | 120.9° | 119.8° |
| C07 | C06 | C15 | 117.1° | 119.8° |
| C21 | O20 | C19 | 113.8° | 117.0° |
| O20 | C21 | H212 | 111.0° | 109.5° |
| O20 | C21 | H211 | 111.0° | 109.5° |
| C06 | C05 | C04 | 121.3° | 120.7° |
| C05 | C06 | C15 | 122.1° | 120.5° |
| C06 | C05 | H051 | 119.3° | 119.6° |
| C05 | C04 | C03 | 116.9° | 119.8° |
| C05 | C04 | H041 | 121.5° | 120.1° |
| C04 | C05 | H051 | 119.4° | 119.6° |
| C06 | C15 | C16 | 117.4° | 119.3° |
| C06 | C15 | H151 | 121.3° | 120.4° |
| C04 | C03 | C16 | 121.4° | 119.9° |
| C04 | C03 | C02 | 116.9° | 121.8° |
| C03 | C04 | H041 | 121.5° | 120.0° |
| O20 | C19 | C25 | 126.5° | 120.1° |
| O20 | C19 | C18 | 114.1° | 120.1° |
| C15 | C16 | C03 | 120.8° | 119.8° |
| C15 | C16 | C17 | 119.3° | 121.8° |
| C16 | C15 | H151 | 121.3° | 120.4° |
| C16 | C03 | C02 | 121.7° | 118.3° |
| C03 | C16 | C17 | 119.9° | 118.3° |
| C03 | C02 | O01 | 123.2° | 120.3° |
| C03 | C02 | N34 | 117.1° | 119.5° |
| C16 | C17 | C18 | 125.7° | 120.4° |
| C16 | C17 | C33 | 117.3° | 119.1° |
| C25 | C19 | C18 | 119.3° | 119.8° |
| C19 | C25 | C26 | 120.2° | 120.1° |
| C19 | C25 | H251 | 119.9° | 120.0° |
| C19 | C18 | C17 | 123.9° | 120.2° |
| C19 | C18 | C32 | 120.9° | 119.7° |
| O01 | C02 | N34 | 119.5° | 120.2° |
| C25 | C26 | C27 | 119.0° | 120.3° |
| C25 | C26 | H261 | 120.5° | 119.9° |
| C26 | C25 | H251 | 119.9° | 119.9° |
| C02 | N34 | C33 | 121.9° | 122.4° |
| C02 | N34 | C35 | 119.2° | 118.8° |
| C18 | C17 | C33 | 116.9° | 120.4° |
| C17 | C18 | C32 | 115.2° | 120.1° |
| C17 | C33 | N34 | 122.1° | 122.2° |
| C17 | C33 | H331 | 118.9° | 118.9° |
| C18 | C32 | C27 | 119.2° | 119.9° |
| C18 | C32 | H321 | 120.4° | 120.0° |
| C33 | N34 | C35 | 118.9° | 118.8° |
| N34 | C33 | H331 | 118.9° | 118.9° |
| N34 | C35 | H352 | 109.5° | 109.5° |
| N34 | C35 | H353 | 109.5° | 109.5° |
| N34 | C35 | H351 | 109.5° | 109.4° |
| C26 | C27 | C32 | 121.4° | 120.3° |
| C26 | C27 | S28 | 121.2° | 119.9° |
| C27 | C26 | H261 | 120.5° | 119.8° |
| C32 | C27 | S28 | 117.4° | 119.8° |
| C27 | C32 | H321 | 120.4° | 120.1° |
| C27 | S28 | O31 | 110.9° | 104.2° |
| C27 | S28 | O29 | 109.8° | 104.3° |
| C27 | S28 | C30 | 107.0° | 104.4° |
| O31 | S28 | O29 | 109.7° | 121.1° |
| O31 | S28 | C30 | 111.0° | 110.5° |
| O29 | S28 | C30 | 108.4° | 110.5° |
| S28 | C30 | H303 | 109.5° | 109.5° |
| S28 | C30 | H302 | 109.5° | 109.4° |
| S28 | C30 | H301 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 115.6° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.4° | 115.5° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.4° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H353 | C35 | H351 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N09 | H101 | 119.6° | 120.0° |
| C11 | C10 | N09 | H102 | 119.6° | 120.0° |
| C10 | C11 | F12 | H112 | 120.0° | 120.0° |
| C10 | C11 | F12 | H111 | 120.1° | 120.0° |
| C11 | C10 | N09 | C08 | 158.2° | 125.0° |
| C11 | C10 | N09 | N13 | 21.7° | 55.0° |
| C11 | C10 | H101 | H102 | 121.3° | 120.1° |
| C10 | C11 | H112 | H111 | 120.0° | 120.1° |
| N09 | C10 | C11 | F12 | 50.2° | 179.9° |
| C10 | N09 | C08 | N13 | 179.8° | 179.9° |
| C10 | N09 | C08 | C07 | 179.3° | 180.0° |
| C10 | N09 | N13 | N14 | 179.6° | 180.0° |
| N09 | C10 | H101 | H102 | 121.3° | 120.0° |
| C10 | N09 | C08 | H081 | 0.7° | 0.0° |
| N09 | C10 | C11 | H112 | 69.8° | 60.0° |
| N09 | C10 | C11 | H111 | 170.2° | 60.0° |
| F12 | C11 | C10 | H101 | 69.3° | 60.1° |
| F12 | C11 | C10 | H102 | 169.8° | 60.0° |
| F12 | C11 | H112 | H111 | 119.9° | 119.9° |
| C23 | C24 | C22 | H242 | 109.3° | 107.5° |
| C23 | C24 | C22 | H241 | 109.3° | 107.5° |
| C24 | C23 | C22 | H232 | 109.3° | 107.5° |
| C24 | C23 | C22 | H231 | 109.3° | 107.5° |
| C23 | C24 | C22 | C21 | 108.4° | 107.5° |
| C23 | C24 | C22 | H221 | 108.0° | 107.6° |
| C23 | C24 | H242 | H241 | 145.0° | 145.7° |
| C24 | C23 | H232 | H231 | 145.0° | 145.7° |
| C24 | C22 | C21 | H221 | 143.8° | 145.6° |
| C24 | C22 | C21 | O20 | 162.1° | 175.1° |
| C24 | C22 | C21 | H212 | 43.2° | 64.9° |
| C24 | C22 | C21 | H211 | 78.9° | 55.1° |
| C22 | C24 | H242 | H241 | 145.0° | 145.7° |
| N09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | N09 | N13 | N14 | 0.5° | 0.0° |
| N09 | C08 | C07 | N14 | 0.8° | 0.0° |
| N09 | C08 | C07 | C06 | 178.8° | 179.8° |
| C08 | N09 | C10 | H101 | 38.6° | 5.0° |
| C08 | N09 | C10 | H102 | 82.3° | 115.0° |
| N13 | N09 | C08 | C07 | 0.8° | 0.0° |
| N09 | N13 | N14 | C07 | 0.0° | 0.0° |
| N13 | N09 | C10 | H101 | 141.2° | 175.1° |
| N13 | N09 | C10 | H102 | 97.9° | 64.9° |
| N13 | N09 | C08 | H081 | 179.2° | 180.0° |
| C23 | C22 | C21 | H221 | 147.6° | 145.7° |
| C23 | C22 | C21 | O20 | 93.6° | 116.3° |
| C23 | C22 | C21 | H212 | 25.4° | 3.7° |
| C23 | C22 | C21 | H211 | 147.5° | 123.7° |
| C22 | C23 | H232 | H231 | 145.1° | 145.6° |
| C08 | C07 | N14 | N13 | 0.5° | 0.0° |
| C08 | C07 | N14 | C06 | 178.1° | 179.8° |
| C08 | C07 | C06 | C05 | 5.7° | 5.2° |
| C08 | C07 | C06 | C15 | 174.7° | 174.7° |
| N13 | N14 | C07 | C06 | 178.6° | 179.8° |
| C22 | C21 | O20 | H212 | 119.0° | 120.0° |
| C22 | C21 | O20 | H211 | 119.0° | 119.9° |
| C22 | C21 | O20 | C19 | 170.3° | 180.0° |
| C22 | C21 | H212 | H211 | 122.9° | 119.9° |
| C21 | C22 | C24 | H242 | 0.9° | 145.0° |
| C21 | C22 | C24 | H241 | 142.3° | 0.0° |
| C21 | C22 | C23 | H232 | 146.2° | 0.0° |
| C21 | C22 | C23 | H231 | 4.8° | 145.0° |
| N14 | C07 | C06 | C05 | 176.6° | 175.0° |
| N14 | C07 | C06 | C15 | 3.0° | 5.1° |
| N14 | C07 | C08 | H081 | 179.2° | 180.0° |
| C07 | C06 | C05 | C15 | 179.6° | 179.9° |
| C07 | C06 | C05 | C04 | 179.6° | 179.5° |
| C07 | C06 | C15 | C16 | 179.4° | 180.0° |
| C07 | C06 | C15 | H151 | 0.6° | 0.3° |
| C07 | C06 | C05 | H051 | 0.4° | 0.1° |
| C06 | C07 | C08 | H081 | 1.2° | 0.2° |
| C21 | O20 | C19 | C25 | 7.1° | 0.0° |
| C21 | O20 | C19 | C18 | 176.8° | 179.4° |
| O20 | C21 | H212 | H211 | 122.9° | 120.1° |
| O20 | C21 | C22 | H221 | 54.1° | 29.5° |
| C06 | C05 | C04 | H051 | 180.0° | 179.6° |
| C06 | C05 | C04 | C03 | 0.3° | 0.7° |
| C05 | C06 | C15 | C16 | 1.0° | 0.1° |
| C05 | C06 | C15 | H151 | 179.0° | 179.8° |
| C06 | C05 | C04 | H041 | 179.6° | 179.8° |
| C04 | C05 | C06 | C15 | 0.8° | 0.4° |
| C05 | C04 | C03 | H041 | 180.0° | 179.5° |
| C05 | C04 | C03 | C16 | 0.1° | 0.5° |
| C05 | C04 | C03 | C02 | 180.0° | 179.5° |
| C06 | C15 | C16 | H151 | 180.0° | 179.7° |
| C06 | C15 | C16 | C03 | 0.8° | 0.3° |
| C06 | C15 | C16 | C17 | 180.0° | 179.7° |
| C15 | C06 | C05 | H051 | 179.2° | 180.0° |
| C04 | C03 | C16 | C15 | 0.4° | 0.0° |
| C04 | C03 | C16 | C02 | 179.9° | 179.9° |
| C04 | C03 | C16 | C17 | 179.5° | 180.0° |
| C04 | C03 | C02 | O01 | 4.0° | 0.0° |
| C04 | C03 | C02 | N34 | 179.2° | 179.9° |
| C03 | C04 | C05 | H051 | 179.7° | 179.7° |
| O20 | C19 | C25 | C18 | 175.9° | 179.4° |
| O20 | C19 | C25 | C26 | 178.0° | 180.0° |
| O20 | C19 | C18 | C17 | 3.1° | 0.2° |
| O20 | C19 | C18 | C32 | 178.5° | 179.7° |
| C19 | O20 | C21 | H212 | 70.7° | 60.0° |
| C19 | O20 | C21 | H211 | 51.3° | 60.1° |
| O20 | C19 | C25 | H251 | 2.0° | 0.0° |
| C15 | C16 | C03 | C17 | 179.1° | 180.0° |
| C15 | C16 | C03 | C02 | 179.7° | 179.9° |
| C15 | C16 | C17 | C18 | 4.7° | 0.0° |
| C15 | C16 | C17 | C33 | 179.8° | 179.9° |
| C16 | C03 | C02 | O01 | 176.1° | 180.0° |
| C16 | C03 | C02 | N34 | 1.0° | 0.0° |
| C03 | C16 | C17 | C18 | 176.1° | 179.9° |
| C03 | C16 | C17 | C33 | 1.1° | 0.0° |
| C03 | C16 | C15 | H151 | 179.2° | 180.0° |
| C16 | C03 | C04 | H041 | 179.9° | 180.0° |
| C02 | C03 | C16 | C17 | 0.6° | 0.0° |
| C03 | C02 | O01 | N34 | 175.1° | 180.0° |
| C03 | C02 | N34 | C33 | 1.9° | 0.0° |
| C03 | C02 | N34 | C35 | 179.4° | 180.0° |
| C02 | C03 | C04 | H041 | 0.0° | 0.0° |
| C16 | C17 | C18 | C19 | 62.8° | 104.4° |
| C16 | C17 | C18 | C33 | 175.1° | 179.9° |
| C16 | C17 | C18 | C32 | 115.7° | 75.1° |
| C16 | C17 | C33 | N34 | 2.0° | 0.0° |
| C17 | C16 | C15 | H151 | 0.0° | 0.1° |
| C16 | C17 | C33 | H331 | 177.9° | 180.0° |
| C19 | C25 | C26 | H251 | 180.0° | 179.9° |
| C25 | C19 | C18 | C17 | 179.5° | 179.7° |
| C25 | C19 | C18 | C32 | 2.0° | 0.8° |
| C19 | C25 | C26 | C27 | 1.0° | 0.0° |
| C19 | C25 | C26 | H261 | 178.9° | 179.7° |
| C18 | C19 | C25 | C26 | 2.1° | 0.6° |
| C19 | C18 | C17 | C32 | 178.5° | 179.5° |
| C19 | C18 | C17 | C33 | 122.1° | 75.5° |
| C19 | C18 | C32 | C27 | 0.9° | 0.5° |
| C18 | C19 | C25 | H251 | 177.9° | 179.5° |
| C19 | C18 | C32 | H321 | 179.1° | 180.0° |
| O01 | C02 | N34 | C33 | 177.2° | 180.0° |
| O01 | C02 | N34 | C35 | 4.1° | 0.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.7° |
| C25 | C26 | C27 | C32 | 0.1° | 0.3° |
| C25 | C26 | C27 | S28 | 179.1° | 179.7° |
| C02 | N34 | C33 | C17 | 2.5° | 0.0° |
| C02 | N34 | C33 | C35 | 178.7° | 180.0° |
| C02 | N34 | C33 | H331 | 177.4° | 180.0° |
| C02 | N34 | C35 | H352 | 180.0° | 0.1° |
| C02 | N34 | C35 | H353 | 60.0° | 120.0° |
| C02 | N34 | C35 | H351 | 60.0° | 120.0° |
| C18 | C17 | C33 | N34 | 177.5° | 179.9° |
| C17 | C18 | C32 | C27 | 179.5° | 180.0° |
| C17 | C18 | C32 | H321 | 0.5° | 0.5° |
| C18 | C17 | C33 | H331 | 2.4° | 0.1° |
| C33 | C17 | C18 | C32 | 59.3° | 105.0° |
| C17 | C33 | N34 | H331 | 180.0° | 180.0° |
| C17 | C33 | N34 | C35 | 178.8° | 180.0° |
| C18 | C32 | C27 | C26 | 0.2° | 0.0° |
| C18 | C32 | C27 | H321 | 180.0° | 179.5° |
| C18 | C32 | C27 | S28 | 179.2° | 179.9° |
| C33 | N34 | C35 | H352 | 1.3° | 180.0° |
| C33 | N34 | C35 | H353 | 118.7° | 60.0° |
| C33 | N34 | C35 | H351 | 121.3° | 60.1° |
| C35 | N34 | C33 | H331 | 1.3° | 0.0° |
| N34 | C35 | H352 | H353 | 120.0° | 120.1° |
| N34 | C35 | H352 | H351 | 120.0° | 119.9° |
| N34 | C35 | H353 | H351 | 120.0° | 120.0° |
| C26 | C27 | C32 | S28 | 179.1° | 180.0° |
| C26 | C27 | S28 | O31 | 12.3° | 26.0° |
| C26 | C27 | S28 | O29 | 133.6° | 153.9° |
| C26 | C27 | S28 | C30 | 108.9° | 90.0° |
| C27 | C26 | C25 | H251 | 179.0° | 180.0° |
| C26 | C27 | C32 | H321 | 179.8° | 179.4° |
| C32 | C27 | S28 | O31 | 168.6° | 153.9° |
| C32 | C27 | S28 | O29 | 47.3° | 26.0° |
| C32 | C27 | S28 | C30 | 70.2° | 90.0° |
| C32 | C27 | C26 | H261 | 179.9° | 180.0° |
| C27 | S28 | O31 | O29 | 121.4° | 116.8° |
| C27 | S28 | O31 | C30 | 118.8° | 111.7° |
| C27 | S28 | O29 | C30 | 116.6° | 111.7° |
| S28 | C27 | C26 | H261 | 0.9° | 0.0° |
| C27 | S28 | C30 | H303 | 180.0° | 60.0° |
| C27 | S28 | C30 | H302 | 60.0° | 179.9° |
| C27 | S28 | C30 | H301 | 60.0° | 60.0° |
| S28 | C27 | C32 | H321 | 0.7° | 0.6° |
| O31 | S28 | O29 | C30 | 121.3° | 131.6° |
| O31 | S28 | C30 | H303 | 58.8° | 171.6° |
| O31 | S28 | C30 | H302 | 178.8° | 68.4° |
| O31 | S28 | C30 | H301 | 61.2° | 51.5° |
| O29 | S28 | C30 | H303 | 61.7° | 51.6° |
| O29 | S28 | C30 | H302 | 58.3° | 68.4° |
| O29 | S28 | C30 | H301 | 178.3° | 171.6° |
| S28 | C30 | H303 | H302 | 120.0° | 120.0° |
| S28 | C30 | H303 | H301 | 120.0° | 120.0° |
| S28 | C30 | H302 | H301 | 120.0° | 119.9° |
| H101 | C10 | C11 | H112 | 170.6° | 60.0° |
| H101 | C10 | C11 | H111 | 50.7° | 180.0° |
| H102 | C10 | C11 | H112 | 49.8° | 180.0° |
| H102 | C10 | C11 | H111 | 70.2° | 59.9° |
| H212 | C21 | C22 | H221 | 173.0° | 149.5° |
| H211 | C21 | C22 | H221 | 64.9° | 90.5° |
| H221 | C22 | C24 | H242 | 142.6° | 0.1° |
| H221 | C22 | C24 | H241 | 1.3° | 145.0° |
| H221 | C22 | C23 | H232 | 1.2° | 145.0° |
| H221 | C22 | C23 | H231 | 142.6° | 0.0° |
| H242 | C24 | C23 | H232 | 141.3° | 145.1° |
| H242 | C24 | C23 | H231 | 0.0° | 0.0° |
| H241 | C24 | C23 | H232 | 0.0° | 0.0° |
| H241 | C24 | C23 | H231 | 141.4° | 145.1° |
| H261 | C26 | C25 | H251 | 1.0° | 0.3° |
| H041 | C04 | C05 | H051 | 0.3° | 0.2° |
| H303 | C30 | H302 | H301 | 120.0° | 120.1° |
| H352 | C35 | H353 | H351 | 120.0° | 120.0° |
