U77
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C34 | doub | 1.21Å | 1.27Å | |
| C34 | C25 | sing | 1.51Å | 1.52Å | |
| C34 | O36 | sing | 1.34Å | 1.26Å | |
| C25 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| N15 | C13 | sing | 1.47Å | 1.46Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | C10 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| O12 | C10 | doub | 1.21Å | 1.19Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N09 | sing | 1.35Å | 1.45Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| N09 | C11 | sing | 1.46Å | 1.45Å | |
| N09 | C08 | sing | 1.46Å | 1.47Å | |
| C11 | C14 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | C03 | sing | 1.51Å | 1.54Å | |
| C26 | C14 | doub | 1.35Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.41Å | 1.43Å | Aromatic |
| C14 | O29 | sing | 1.34Å | 1.30Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| O29 | C28 | sing | 1.34Å | 1.31Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | S30 | sing | 1.76Å | 1.79Å | |
| N33 | S30 | sing | 1.66Å | 1.66Å | |
| O31 | S30 | doub | 1.42Å | 1.48Å | |
| S30 | O32 | doub | 1.42Å | 1.45Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| N33 | H332 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| O36 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C34 | C25 | 121.0° | 120.0° |
| O35 | C34 | O36 | 121.2° | 120.0° |
| C25 | C34 | O36 | 117.8° | 120.0° |
| C34 | C25 | C17 | 112.3° | 109.5° |
| C34 | C25 | H252 | 108.8° | 109.4° |
| C34 | C25 | H251 | 108.8° | 109.5° |
| C34 | O36 | H2 | 109.5° | 117.0° |
| C25 | C17 | N15 | 113.9° | 109.5° |
| C25 | C17 | H172 | 108.3° | 109.5° |
| C25 | C17 | H171 | 108.3° | 109.5° |
| C17 | C25 | H252 | 108.7° | 109.4° |
| C17 | C25 | H251 | 108.7° | 109.5° |
| C17 | N15 | C16 | 104.7° | 111.0° |
| C17 | N15 | C13 | 109.1° | 111.0° |
| N15 | C17 | H172 | 108.3° | 109.5° |
| N15 | C17 | H171 | 108.4° | 109.4° |
| C16 | N15 | C13 | 111.5° | 111.0° |
| N15 | C16 | C18 | 112.9° | 109.5° |
| N15 | C16 | H162 | 108.6° | 109.5° |
| N15 | C16 | H161 | 108.6° | 109.5° |
| N15 | C13 | C10 | 113.7° | 109.5° |
| N15 | C13 | H132 | 108.4° | 109.5° |
| N15 | C13 | H131 | 108.4° | 109.4° |
| C16 | C18 | C19 | 114.1° | 109.5° |
| C18 | C16 | H162 | 108.6° | 109.5° |
| C18 | C16 | H161 | 108.6° | 109.5° |
| C16 | C18 | H182 | 108.3° | 109.4° |
| C16 | C18 | H181 | 108.3° | 109.4° |
| C13 | C10 | O12 | 120.8° | 120.0° |
| C13 | C10 | N09 | 120.7° | 120.0° |
| C10 | C13 | H132 | 108.4° | 109.5° |
| C10 | C13 | H131 | 108.4° | 109.5° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C18 | C19 | C24 | 121.2° | 120.0° |
| C19 | C18 | H182 | 108.3° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | C24 | 119.5° | 120.0° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.6° | 120.0° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | H211 | 119.7° | 120.0° |
| C19 | C24 | C23 | 120.1° | 120.0° |
| C19 | C24 | H241 | 120.0° | 120.0° |
| O12 | C10 | N09 | 118.6° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C22 | C21 | H211 | 119.7° | 120.0° |
| C21 | C22 | H221 | 120.4° | 120.0° |
| C10 | N09 | C11 | 121.6° | 120.0° |
| C10 | N09 | C08 | 119.0° | 120.0° |
| C24 | C23 | C22 | 120.4° | 120.0° |
| C24 | C23 | H231 | 119.8° | 119.9° |
| C23 | C24 | H241 | 120.0° | 120.0° |
| C23 | C22 | H221 | 120.4° | 120.0° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C11 | N09 | C08 | 119.5° | 120.0° |
| N09 | C11 | C14 | 105.2° | 109.4° |
| N09 | C11 | H112 | 110.6° | 109.5° |
| N09 | C11 | H111 | 110.5° | 109.5° |
| N09 | C08 | C07 | 106.6° | 109.5° |
| N09 | C08 | H082 | 110.2° | 109.5° |
| N09 | C08 | H081 | 110.2° | 109.5° |
| C11 | C14 | C26 | 124.9° | 125.8° |
| C11 | C14 | O29 | 124.8° | 125.8° |
| C14 | C11 | H112 | 110.5° | 109.4° |
| C14 | C11 | H111 | 110.5° | 109.4° |
| C08 | C07 | C03 | 118.1° | 109.5° |
| C08 | C07 | H072 | 107.3° | 109.5° |
| C08 | C07 | H071 | 107.3° | 109.5° |
| C07 | C08 | H082 | 110.2° | 109.5° |
| C07 | C08 | H081 | 110.2° | 109.5° |
| C07 | C03 | C04 | 124.7° | 120.0° |
| C07 | C03 | C02 | 115.9° | 120.0° |
| C03 | C07 | H072 | 107.3° | 109.4° |
| C03 | C07 | H071 | 107.3° | 109.4° |
| C14 | C26 | C27 | 104.5° | 106.8° |
| C26 | C14 | O29 | 110.3° | 108.4° |
| C14 | C26 | H261 | 127.7° | 126.5° |
| C26 | C27 | C28 | 104.9° | 106.9° |
| C27 | C26 | H261 | 127.8° | 126.6° |
| C26 | C27 | H271 | 127.5° | 126.6° |
| C14 | O29 | C28 | 110.5° | 109.4° |
| C04 | C03 | C02 | 119.4° | 120.0° |
| C03 | C04 | C05 | 120.9° | 120.0° |
| C03 | C04 | H041 | 119.5° | 120.0° |
| C03 | C02 | C01 | 119.9° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.2° | 120.0° |
| C05 | C04 | H041 | 119.5° | 120.0° |
| C04 | C05 | H051 | 120.4° | 120.0° |
| C27 | C28 | O29 | 109.8° | 108.4° |
| C28 | C27 | H271 | 127.6° | 126.5° |
| C27 | C28 | H281 | 125.1° | 125.8° |
| C02 | C01 | C06 | 121.3° | 120.0° |
| C02 | C01 | H011 | 119.3° | 119.9° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| O29 | C28 | H281 | 125.1° | 125.8° |
| C05 | C06 | C01 | 119.2° | 120.0° |
| C05 | C06 | S30 | 120.4° | 120.0° |
| C06 | C05 | H051 | 120.4° | 120.0° |
| C01 | C06 | S30 | 120.4° | 120.0° |
| C06 | C01 | H011 | 119.4° | 120.0° |
| C06 | S30 | N33 | 105.7° | 107.2° |
| C06 | S30 | O31 | 105.8° | 106.4° |
| C06 | S30 | O32 | 108.5° | 106.4° |
| N33 | S30 | O31 | 110.1° | 106.4° |
| N33 | S30 | O32 | 111.5° | 106.4° |
| S30 | N33 | H332 | 109.5° | 120.0° |
| S30 | N33 | H331 | 109.5° | 120.0° |
| O31 | S30 | O32 | 114.8° | 123.1° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H332 | N33 | H331 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C34 | C25 | O36 | 179.7° | 180.0° |
| O35 | C34 | C25 | C17 | 124.6° | 0.0° |
| O35 | C34 | C25 | H252 | 115.0° | 120.0° |
| O35 | C34 | C25 | H251 | 4.2° | 120.0° |
| O35 | C34 | O36 | H2 | 0.0° | 0.1° |
| C34 | C25 | C17 | H252 | 120.4° | 120.0° |
| C34 | C25 | C17 | H251 | 120.4° | 120.1° |
| C34 | C25 | C17 | N15 | 59.6° | 179.4° |
| C34 | C25 | C17 | H172 | 179.7° | 60.5° |
| C34 | C25 | C17 | H171 | 61.1° | 59.5° |
| C34 | C25 | H252 | H251 | 118.7° | 120.0° |
| C25 | C34 | O36 | H2 | 179.7° | 179.9° |
| O36 | C34 | C25 | C17 | 55.7° | 180.0° |
| O36 | C34 | C25 | H252 | 64.7° | 60.0° |
| O36 | C34 | C25 | H251 | 176.2° | 60.0° |
| C25 | C17 | N15 | H172 | 120.6° | 120.0° |
| C25 | C17 | N15 | H171 | 120.7° | 120.0° |
| C25 | C17 | N15 | C16 | 164.8° | 75.6° |
| C25 | C17 | N15 | C13 | 75.7° | 160.3° |
| C25 | C17 | H172 | H171 | 117.9° | 120.0° |
| C17 | C25 | H252 | H251 | 118.7° | 120.0° |
| C17 | N15 | C16 | C13 | 117.9° | 124.0° |
| C17 | N15 | C16 | C18 | 179.5° | 164.5° |
| C17 | N15 | C13 | C10 | 144.6° | 66.0° |
| C17 | N15 | C13 | H132 | 24.0° | 174.0° |
| C17 | N15 | C13 | H131 | 94.7° | 54.0° |
| C17 | N15 | C16 | H162 | 59.0° | 44.5° |
| C17 | N15 | C16 | H161 | 60.0° | 75.5° |
| N15 | C17 | H172 | H171 | 118.0° | 120.0° |
| N15 | C17 | C25 | H252 | 60.8° | 60.6° |
| N15 | C17 | C25 | H251 | 179.9° | 59.4° |
| N15 | C16 | C18 | H162 | 120.5° | 120.0° |
| N15 | C16 | C18 | H161 | 120.5° | 120.0° |
| C16 | N15 | C13 | C10 | 100.2° | 170.0° |
| N15 | C16 | C18 | C19 | 174.2° | 177.5° |
| C16 | N15 | C13 | H132 | 139.1° | 49.9° |
| C16 | N15 | C13 | H131 | 20.4° | 70.0° |
| N15 | C16 | H162 | H161 | 118.4° | 120.0° |
| C16 | N15 | C17 | H172 | 74.5° | 164.3° |
| C16 | N15 | C17 | H171 | 44.1° | 44.3° |
| N15 | C16 | C18 | H182 | 53.5° | 57.5° |
| N15 | C16 | C18 | H181 | 65.2° | 62.4° |
| C13 | N15 | C16 | C18 | 61.6° | 71.5° |
| N15 | C13 | C10 | H132 | 120.6° | 120.0° |
| N15 | C13 | C10 | H131 | 120.7° | 119.9° |
| N15 | C13 | C10 | O12 | 3.5° | 0.0° |
| N15 | C13 | C10 | N09 | 176.7° | 180.0° |
| N15 | C13 | H132 | H131 | 118.1° | 119.9° |
| C13 | N15 | C16 | H162 | 58.9° | 168.5° |
| C13 | N15 | C16 | H161 | 177.8° | 48.6° |
| C13 | N15 | C17 | H172 | 45.0° | 40.3° |
| C13 | N15 | C17 | H171 | 163.6° | 79.7° |
| C16 | C18 | C19 | H182 | 120.7° | 119.9° |
| C16 | C18 | C19 | H181 | 120.7° | 120.0° |
| C16 | C18 | C19 | C20 | 102.5° | 89.7° |
| C16 | C18 | C19 | C24 | 77.9° | 90.0° |
| C18 | C16 | H162 | H161 | 118.4° | 120.0° |
| C16 | C18 | H182 | H181 | 117.9° | 119.9° |
| C13 | C10 | O12 | N09 | 179.8° | 180.0° |
| C13 | C10 | N09 | C11 | 0.7° | 0.0° |
| C13 | C10 | N09 | C08 | 179.2° | 180.0° |
| C10 | C13 | H132 | H131 | 118.1° | 120.0° |
| C18 | C19 | C20 | C24 | 179.6° | 179.7° |
| C18 | C19 | C20 | C21 | 178.8° | 180.0° |
| C18 | C19 | C24 | C23 | 179.2° | 179.8° |
| C19 | C18 | C16 | H162 | 65.3° | 57.5° |
| C19 | C18 | C16 | H161 | 53.6° | 62.4° |
| C19 | C18 | H182 | H181 | 117.9° | 120.1° |
| C18 | C19 | C20 | H201 | 1.2° | 0.0° |
| C18 | C19 | C24 | H241 | 0.8° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.1° |
| C20 | C19 | C24 | C23 | 0.4° | 0.4° |
| C20 | C19 | C18 | H182 | 18.2° | 150.3° |
| C20 | C19 | C18 | H181 | 136.8° | 30.3° |
| C19 | C20 | C21 | H211 | 179.5° | 180.0° |
| C20 | C19 | C24 | H241 | 179.6° | 179.7° |
| C21 | C20 | C19 | C24 | 0.8° | 0.3° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H221 | 179.8° | 179.9° |
| C19 | C24 | C23 | H241 | 180.0° | 179.9° |
| C19 | C24 | C23 | C22 | 0.3° | 0.4° |
| C24 | C19 | C18 | H182 | 161.4° | 29.9° |
| C24 | C19 | C18 | H181 | 42.8° | 150.0° |
| C24 | C19 | C20 | H201 | 179.2° | 179.8° |
| C19 | C24 | C23 | H231 | 179.7° | 179.8° |
| O12 | C10 | N09 | C11 | 179.4° | 180.0° |
| O12 | C10 | N09 | C08 | 1.0° | 0.0° |
| O12 | C10 | C13 | H132 | 117.1° | 120.0° |
| O12 | C10 | C13 | H131 | 124.1° | 120.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.2° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C22 | C21 | C20 | H201 | 179.5° | 180.0° |
| C21 | C22 | C23 | H231 | 179.4° | 180.0° |
| C10 | N09 | C11 | C08 | 178.4° | 180.0° |
| C10 | N09 | C11 | C14 | 94.8° | 90.0° |
| C10 | N09 | C08 | C07 | 103.8° | 90.0° |
| C10 | N09 | C08 | H082 | 136.7° | 30.0° |
| C10 | N09 | C08 | H081 | 15.8° | 150.0° |
| C10 | N09 | C11 | H112 | 145.9° | 30.0° |
| C10 | N09 | C11 | H111 | 24.5° | 150.0° |
| N09 | C10 | C13 | H132 | 62.7° | 60.0° |
| N09 | C10 | C13 | H131 | 56.0° | 60.0° |
| C24 | C23 | C22 | H231 | 180.0° | 179.8° |
| C24 | C23 | C22 | H221 | 179.4° | 179.9° |
| C23 | C22 | C21 | H211 | 179.8° | 180.0° |
| C22 | C23 | C24 | H241 | 179.7° | 179.7° |
| N09 | C11 | C14 | H112 | 119.3° | 120.0° |
| N09 | C11 | C14 | H111 | 119.3° | 120.0° |
| C11 | N09 | C08 | C07 | 77.8° | 90.0° |
| N09 | C11 | C14 | C26 | 65.3° | 90.3° |
| N09 | C11 | C14 | O29 | 112.1° | 90.0° |
| C11 | N09 | C08 | H082 | 41.8° | 150.0° |
| C11 | N09 | C08 | H081 | 162.7° | 30.0° |
| N09 | C11 | H112 | H111 | 122.0° | 120.1° |
| C08 | N09 | C11 | C14 | 83.6° | 90.0° |
| N09 | C08 | C07 | H082 | 119.6° | 120.0° |
| N09 | C08 | C07 | H081 | 119.6° | 120.0° |
| N09 | C08 | C07 | C03 | 178.2° | 180.0° |
| N09 | C08 | C07 | H072 | 60.6° | 60.0° |
| N09 | C08 | C07 | H071 | 57.0° | 60.0° |
| N09 | C08 | H082 | H081 | 121.3° | 120.0° |
| C08 | N09 | C11 | H112 | 35.7° | 150.0° |
| C08 | N09 | C11 | H111 | 157.1° | 29.9° |
| C11 | C14 | C26 | O29 | 177.7° | 179.7° |
| C11 | C14 | C26 | C27 | 179.2° | 180.0° |
| C11 | C14 | O29 | C28 | 179.7° | 179.8° |
| C14 | C11 | H112 | H111 | 122.0° | 120.0° |
| C11 | C14 | C26 | H261 | 0.8° | 0.1° |
| C08 | C07 | C03 | H072 | 121.2° | 120.0° |
| C08 | C07 | C03 | H071 | 121.2° | 120.0° |
| C08 | C07 | C03 | C04 | 57.8° | 89.9° |
| C08 | C07 | C03 | C02 | 125.9° | 90.0° |
| C08 | C07 | H072 | H071 | 116.1° | 120.0° |
| C07 | C08 | H082 | H081 | 121.3° | 120.0° |
| C07 | C03 | C04 | C02 | 176.3° | 179.9° |
| C07 | C03 | C04 | C05 | 177.8° | 180.0° |
| C07 | C03 | C02 | C01 | 177.3° | 179.9° |
| C07 | C03 | C02 | H021 | 2.7° | 0.0° |
| C07 | C03 | C04 | H041 | 2.2° | 0.0° |
| C03 | C07 | H072 | H071 | 116.1° | 120.0° |
| C03 | C07 | C08 | H082 | 58.6° | 60.0° |
| C03 | C07 | C08 | H081 | 62.2° | 60.0° |
| C14 | C26 | C27 | H261 | 180.0° | 179.9° |
| C14 | C26 | C27 | C28 | 0.5° | 0.0° |
| C26 | C14 | O29 | C28 | 2.0° | 0.5° |
| C26 | C14 | C11 | H112 | 175.4° | 149.7° |
| C26 | C14 | C11 | H111 | 54.1° | 29.7° |
| C14 | C26 | C27 | H271 | 179.5° | 179.9° |
| C27 | C26 | C14 | O29 | 1.5° | 0.3° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | O29 | 0.7° | 0.3° |
| C26 | C27 | C28 | H281 | 179.4° | 179.9° |
| C14 | O29 | C28 | C27 | 1.6° | 0.5° |
| O29 | C14 | C11 | H112 | 7.2° | 30.0° |
| O29 | C14 | C11 | H111 | 128.5° | 150.0° |
| O29 | C14 | C26 | H261 | 178.5° | 179.8° |
| C14 | O29 | C28 | H281 | 178.4° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.7° | 0.0° |
| C03 | C04 | C05 | C06 | 1.8° | 0.1° |
| C04 | C03 | C02 | H021 | 179.3° | 180.0° |
| C03 | C04 | C05 | H051 | 178.2° | 180.0° |
| C04 | C03 | C07 | H072 | 63.5° | 150.1° |
| C04 | C03 | C07 | H071 | 179.0° | 30.0° |
| C02 | C03 | C04 | C05 | 1.6° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.2° | 0.0° |
| C03 | C02 | C01 | H011 | 179.8° | 179.8° |
| C02 | C03 | C04 | H041 | 178.5° | 180.0° |
| C02 | C03 | C07 | H072 | 112.9° | 30.0° |
| C02 | C03 | C07 | H071 | 4.6° | 150.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 1.2° | 0.1° |
| C04 | C05 | C06 | S30 | 178.8° | 179.8° |
| C27 | C28 | O29 | H281 | 180.0° | 179.6° |
| C28 | C27 | C26 | H261 | 179.5° | 179.9° |
| C02 | C01 | C06 | C05 | 0.5° | 0.1° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | S30 | 179.6° | 179.7° |
| O29 | C28 | C27 | H271 | 179.3° | 179.8° |
| C05 | C06 | C01 | S30 | 180.0° | 179.7° |
| C05 | C06 | S30 | N33 | 126.1° | 90.3° |
| C05 | C06 | S30 | O31 | 9.3° | 23.2° |
| C05 | C06 | S30 | O32 | 114.2° | 156.2° |
| C05 | C06 | C01 | H011 | 179.6° | 179.8° |
| C06 | C05 | C04 | H041 | 178.2° | 179.9° |
| C01 | C06 | S30 | N33 | 54.0° | 90.0° |
| C01 | C06 | S30 | O31 | 170.7° | 156.4° |
| C01 | C06 | S30 | O32 | 65.7° | 23.5° |
| C06 | C01 | C02 | H021 | 179.8° | 180.0° |
| C01 | C06 | C05 | H051 | 178.8° | 180.0° |
| C06 | S30 | N33 | O31 | 113.8° | 113.5° |
| C06 | S30 | N33 | O32 | 117.7° | 113.6° |
| C06 | S30 | O31 | O32 | 119.5° | 123.0° |
| S30 | C06 | C01 | H011 | 0.4° | 0.1° |
| S30 | C06 | C05 | H051 | 1.2° | 0.3° |
| C06 | S30 | N33 | H332 | 180.0° | 0.0° |
| C06 | S30 | N33 | H331 | 60.0° | 179.9° |
| N33 | S30 | O31 | O32 | 126.7° | 122.9° |
| S30 | N33 | H332 | H331 | 120.0° | 180.0° |
| O31 | S30 | N33 | H332 | 66.2° | 113.6° |
| O31 | S30 | N33 | H331 | 53.8° | 66.4° |
| O32 | S30 | N33 | H332 | 62.3° | 113.6° |
| O32 | S30 | N33 | H331 | 177.7° | 66.5° |
| H011 | C01 | C02 | H021 | 0.2° | 0.2° |
| H041 | C04 | C05 | H051 | 1.8° | 0.0° |
| H072 | C07 | C08 | H082 | 179.9° | 179.9° |
| H072 | C07 | C08 | H081 | 59.0° | 59.9° |
| H071 | C07 | C08 | H082 | 62.6° | 60.0° |
| H071 | C07 | C08 | H081 | 176.6° | 180.0° |
| H162 | C16 | C18 | H182 | 174.0° | 62.5° |
| H162 | C16 | C18 | H181 | 55.4° | 177.5° |
| H161 | C16 | C18 | H182 | 67.1° | 177.6° |
| H161 | C16 | C18 | H181 | 174.3° | 57.6° |
| H172 | C17 | C25 | H252 | 59.9° | 59.5° |
| H172 | C17 | C25 | H251 | 59.3° | 179.4° |
| H171 | C17 | C25 | H252 | 178.5° | 179.4° |
| H171 | C17 | C25 | H251 | 59.4° | 60.6° |
| H201 | C20 | C21 | H211 | 0.5° | 0.0° |
| H211 | C21 | C22 | H221 | 0.2° | 0.1° |
| H221 | C22 | C23 | H231 | 0.6° | 0.1° |
| H231 | C23 | C24 | H241 | 0.3° | 0.1° |
| H261 | C26 | C27 | H271 | 0.4° | 0.1° |
| H271 | C27 | C28 | H281 | 0.7° | 0.1° |
