U7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C39 | doub | 1.21Å | 1.26Å | |
| O40 | C39 | sing | 1.34Å | 1.26Å | |
| C39 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C13 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C13 | C10 | sing | 1.51Å | 1.54Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C19 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | O12 | doub | 1.21Å | 1.19Å | |
| C10 | N09 | sing | 1.35Å | 1.48Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | N09 | sing | 1.46Å | 1.46Å | |
| C11 | C14 | sing | 1.51Å | 1.53Å | |
| N09 | C08 | sing | 1.47Å | 1.47Å | |
| C30 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.49Å | |
| C07 | C03 | sing | 1.51Å | 1.53Å | |
| C34 | C29 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.36Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.42Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C31 | doub | 1.41Å | 1.41Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.36Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | S35 | sing | 1.76Å | 1.80Å | |
| N38 | S35 | sing | 1.66Å | 1.64Å | |
| O37 | S35 | doub | 1.42Å | 1.45Å | |
| S35 | O36 | doub | 1.42Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| 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 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | 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 | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| O40 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C39 | O40 | 120.4° | 120.0° |
| O41 | C39 | C25 | 118.9° | 120.0° |
| O40 | C39 | C25 | 120.7° | 120.0° |
| C39 | O40 | H2 | 109.5° | 117.0° |
| C39 | C25 | C17 | 112.3° | 109.5° |
| C39 | C25 | H252 | 108.8° | 109.5° |
| C39 | C25 | H251 | 108.8° | 109.5° |
| C25 | C17 | N15 | 111.1° | 109.5° |
| C25 | C17 | H171 | 109.1° | 109.5° |
| C25 | C17 | H172 | 109.0° | 109.4° |
| C17 | C25 | H252 | 108.7° | 109.5° |
| C17 | C25 | H251 | 108.7° | 109.4° |
| C17 | N15 | C13 | 107.8° | 111.0° |
| C17 | N15 | C16 | 109.1° | 111.0° |
| N15 | C17 | H171 | 109.1° | 109.5° |
| N15 | C17 | H172 | 109.0° | 109.5° |
| C13 | N15 | C16 | 108.5° | 111.0° |
| N15 | C13 | C10 | 109.2° | 109.4° |
| N15 | C13 | H131 | 109.5° | 109.5° |
| N15 | C13 | H132 | 109.6° | 109.5° |
| N15 | C16 | C18 | 112.9° | 109.5° |
| N15 | C16 | H162 | 108.6° | 109.5° |
| N15 | C16 | H161 | 108.6° | 109.4° |
| C13 | C10 | O12 | 118.1° | 120.0° |
| C13 | C10 | N09 | 118.9° | 120.0° |
| C10 | C13 | H131 | 109.5° | 109.5° |
| C10 | C13 | H132 | 109.5° | 109.5° |
| C16 | C18 | C19 | 114.7° | 109.5° |
| C18 | C16 | H162 | 108.6° | 109.5° |
| C18 | C16 | H161 | 108.6° | 109.5° |
| C16 | C18 | H182 | 108.2° | 109.4° |
| C16 | C18 | H181 | 108.2° | 109.5° |
| C18 | C19 | C24 | 119.1° | 120.1° |
| C18 | C19 | C20 | 121.7° | 120.0° |
| C19 | C18 | H182 | 108.2° | 109.5° |
| C19 | C18 | H181 | 108.1° | 109.5° |
| C24 | C19 | C20 | 119.1° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C19 | C24 | H241 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.7° | 120.0° |
| C19 | C20 | H201 | 119.7° | 120.0° |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C24 | C23 | H231 | 119.9° | 120.0° |
| C23 | C24 | H241 | 119.8° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.1° |
| C21 | C20 | H201 | 119.6° | 120.0° |
| C20 | C21 | H211 | 120.1° | 120.0° |
| O12 | C10 | N09 | 123.0° | 120.0° |
| C10 | N09 | C11 | 118.8° | 120.0° |
| C10 | N09 | C08 | 124.9° | 120.0° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C23 | C22 | H221 | 120.2° | 120.0° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | H221 | 120.2° | 120.0° |
| N09 | C11 | C14 | 106.0° | 109.4° |
| C11 | N09 | C08 | 116.3° | 120.0° |
| N09 | C11 | H111 | 110.3° | 109.5° |
| N09 | C11 | H112 | 110.3° | 109.4° |
| C11 | C14 | C30 | 119.2° | 119.5° |
| C11 | C14 | C26 | 120.0° | 119.5° |
| C14 | C11 | H111 | 110.3° | 109.5° |
| C14 | C11 | H112 | 110.3° | 109.5° |
| N09 | C08 | C07 | 106.6° | 109.5° |
| N09 | C08 | H081 | 110.2° | 109.5° |
| N09 | C08 | H082 | 110.2° | 109.5° |
| C14 | C30 | C29 | 119.0° | 119.7° |
| C30 | C14 | C26 | 120.8° | 121.0° |
| C14 | C30 | H301 | 120.5° | 120.2° |
| C30 | C29 | C34 | 119.0° | 121.3° |
| C30 | C29 | C28 | 120.6° | 119.4° |
| C29 | C30 | H301 | 120.5° | 120.1° |
| C14 | C26 | C27 | 119.9° | 121.0° |
| C14 | C26 | H261 | 120.0° | 119.5° |
| C08 | C07 | C03 | 118.1° | 109.5° |
| C08 | C07 | H071 | 107.3° | 109.5° |
| C08 | C07 | H072 | 107.3° | 109.5° |
| C07 | C08 | H081 | 110.2° | 109.5° |
| C07 | C08 | H082 | 110.2° | 109.5° |
| C07 | C03 | C04 | 113.6° | 120.0° |
| C07 | C03 | C02 | 125.7° | 120.0° |
| C03 | C07 | H071 | 107.3° | 109.4° |
| C03 | C07 | H072 | 107.3° | 109.5° |
| C29 | C34 | C33 | 119.5° | 119.7° |
| C34 | C29 | C28 | 120.3° | 119.3° |
| C29 | C34 | H341 | 120.3° | 120.2° |
| C34 | C33 | C32 | 120.2° | 121.0° |
| C34 | C33 | H331 | 119.9° | 119.5° |
| C33 | C34 | H341 | 120.2° | 120.1° |
| C29 | C28 | C27 | 120.3° | 119.4° |
| C29 | C28 | C31 | 120.2° | 119.4° |
| C26 | C27 | C28 | 119.3° | 119.7° |
| C27 | C26 | H261 | 120.1° | 119.5° |
| C26 | C27 | H271 | 120.3° | 120.1° |
| C04 | C03 | C02 | 120.6° | 120.0° |
| C03 | C04 | C05 | 120.5° | 120.0° |
| C03 | C04 | H041 | 119.8° | 120.0° |
| C03 | C02 | C01 | 119.6° | 120.0° |
| C03 | C02 | H021 | 120.2° | 120.0° |
| C33 | C32 | C31 | 120.3° | 121.0° |
| C33 | C32 | H321 | 119.8° | 119.5° |
| C32 | C33 | H331 | 119.9° | 119.5° |
| C27 | C28 | C31 | 119.5° | 121.3° |
| C28 | C27 | H271 | 120.3° | 120.2° |
| C28 | C31 | C32 | 119.5° | 119.6° |
| C28 | C31 | H311 | 120.2° | 120.2° |
| C04 | C05 | C06 | 119.7° | 120.0° |
| C05 | C04 | H041 | 119.7° | 120.0° |
| C04 | C05 | H051 | 120.1° | 120.0° |
| C02 | C01 | C06 | 119.5° | 120.0° |
| C02 | C01 | H011 | 120.2° | 120.0° |
| C01 | C02 | H021 | 120.2° | 120.0° |
| C32 | C31 | H311 | 120.3° | 120.2° |
| C31 | C32 | H321 | 119.9° | 119.5° |
| C05 | C06 | C01 | 120.1° | 120.0° |
| C05 | C06 | S35 | 118.5° | 120.0° |
| C06 | C05 | H051 | 120.2° | 120.0° |
| C01 | C06 | S35 | 121.4° | 120.0° |
| C06 | C01 | H011 | 120.3° | 120.0° |
| C06 | S35 | N38 | 107.0° | 107.3° |
| C06 | S35 | O37 | 105.8° | 106.4° |
| C06 | S35 | O36 | 106.6° | 106.4° |
| N38 | S35 | O37 | 110.5° | 106.4° |
| N38 | S35 | O36 | 111.4° | 106.4° |
| S35 | N38 | H382 | 109.5° | 120.0° |
| S35 | N38 | H381 | 109.5° | 120.1° |
| O37 | S35 | O36 | 115.0° | 123.2° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H382 | N38 | H381 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C39 | O40 | C25 | 179.6° | 180.0° |
| O41 | C39 | C25 | C17 | 167.4° | 0.0° |
| O41 | C39 | C25 | H252 | 47.0° | 120.0° |
| O41 | C39 | C25 | H251 | 72.2° | 120.0° |
| O41 | C39 | O40 | H2 | 0.0° | 0.0° |
| O40 | C39 | C25 | C17 | 12.9° | 180.0° |
| O40 | C39 | C25 | H252 | 133.3° | 60.0° |
| O40 | C39 | C25 | H251 | 107.5° | 60.0° |
| C39 | C25 | C17 | H252 | 120.4° | 120.0° |
| C39 | C25 | C17 | H251 | 120.4° | 120.0° |
| C39 | C25 | C17 | N15 | 92.9° | 175.2° |
| C39 | C25 | C17 | H171 | 146.8° | 55.2° |
| C39 | C25 | C17 | H172 | 27.4° | 64.8° |
| C39 | C25 | H252 | H251 | 118.7° | 120.0° |
| C25 | C39 | O40 | H2 | 179.6° | 180.0° |
| C25 | C17 | N15 | H171 | 120.3° | 120.0° |
| C25 | C17 | N15 | H172 | 120.2° | 120.0° |
| C25 | C17 | N15 | C13 | 72.3° | 75.6° |
| C25 | C17 | N15 | C16 | 170.1° | 160.5° |
| C25 | C17 | H171 | H172 | 119.2° | 120.0° |
| C17 | C25 | H252 | H251 | 118.7° | 120.0° |
| C17 | N15 | C13 | C16 | 118.0° | 123.9° |
| C17 | N15 | C13 | C10 | 161.9° | 163.7° |
| C17 | N15 | C16 | C18 | 86.6° | 66.1° |
| C17 | N15 | C13 | H131 | 41.9° | 76.3° |
| C17 | N15 | C13 | H132 | 78.2° | 43.8° |
| C17 | N15 | C16 | H162 | 152.9° | 54.0° |
| C17 | N15 | C16 | H161 | 33.9° | 173.9° |
| N15 | C17 | H171 | H172 | 119.2° | 120.0° |
| N15 | C17 | C25 | H252 | 27.6° | 64.8° |
| N15 | C17 | C25 | H251 | 146.7° | 55.2° |
| N15 | C13 | C10 | H131 | 119.9° | 120.0° |
| N15 | C13 | C10 | H132 | 120.0° | 120.0° |
| C13 | N15 | C16 | C18 | 156.2° | 170.0° |
| N15 | C13 | C10 | O12 | 13.5° | 4.7° |
| N15 | C13 | C10 | N09 | 166.6° | 175.0° |
| N15 | C13 | H131 | H132 | 120.2° | 120.0° |
| C13 | N15 | C16 | H162 | 35.7° | 70.0° |
| C13 | N15 | C16 | H161 | 83.3° | 50.0° |
| C13 | N15 | C17 | H171 | 48.0° | 44.4° |
| C13 | N15 | C17 | H172 | 167.5° | 164.5° |
| C16 | N15 | C13 | C10 | 80.2° | 72.3° |
| N15 | C16 | C18 | H162 | 120.5° | 120.0° |
| N15 | C16 | C18 | H161 | 120.5° | 120.0° |
| N15 | C16 | C18 | C19 | 166.5° | 180.0° |
| C16 | N15 | C13 | H131 | 159.9° | 47.7° |
| C16 | N15 | C13 | H132 | 39.8° | 167.7° |
| N15 | C16 | H162 | H161 | 118.4° | 119.9° |
| C16 | N15 | C17 | H171 | 69.6° | 79.5° |
| C16 | N15 | C17 | H172 | 49.9° | 40.5° |
| N15 | C16 | C18 | H182 | 45.7° | 60.0° |
| N15 | C16 | C18 | H181 | 72.8° | 60.0° |
| C13 | C10 | O12 | N09 | 179.9° | 179.7° |
| C13 | C10 | N09 | C11 | 0.6° | 5.3° |
| C13 | C10 | N09 | C08 | 178.3° | 174.7° |
| C10 | C13 | H131 | H132 | 120.1° | 120.0° |
| C16 | C18 | C19 | H182 | 120.8° | 120.0° |
| C16 | C18 | C19 | H181 | 120.8° | 120.1° |
| C16 | C18 | C19 | C24 | 168.1° | 90.0° |
| C16 | C18 | C19 | C20 | 11.8° | 89.7° |
| C18 | C16 | H162 | H161 | 118.4° | 120.0° |
| C16 | C18 | H182 | H181 | 117.6° | 120.0° |
| C18 | C19 | C24 | C20 | 179.9° | 179.7° |
| C18 | C19 | C24 | C23 | 179.9° | 179.8° |
| C18 | C19 | C20 | C21 | 179.5° | 180.0° |
| C19 | C18 | C16 | H162 | 73.0° | 60.0° |
| C19 | C18 | C16 | H161 | 46.0° | 60.1° |
| C19 | C18 | H182 | H181 | 117.6° | 120.0° |
| C18 | C19 | C20 | H201 | 0.5° | 0.0° |
| C18 | C19 | C24 | H241 | 0.1° | 0.0° |
| C19 | C24 | C23 | H241 | 180.0° | 179.8° |
| C24 | C19 | C20 | C21 | 0.6° | 0.2° |
| C19 | C24 | C23 | C22 | 0.1° | 0.4° |
| C24 | C19 | C18 | H182 | 71.1° | 30.0° |
| C24 | C19 | C18 | H181 | 47.3° | 150.0° |
| C24 | C19 | C20 | H201 | 179.4° | 179.7° |
| C19 | C24 | C23 | H231 | 180.0° | 179.7° |
| C20 | C19 | C24 | C23 | 0.2° | 0.4° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.7° | 0.0° |
| C20 | C19 | C18 | H182 | 108.9° | 150.3° |
| C20 | C19 | C18 | H181 | 132.6° | 30.3° |
| C19 | C20 | C21 | H211 | 179.2° | 180.0° |
| C20 | C19 | C24 | H241 | 179.8° | 179.7° |
| C24 | C23 | C22 | H231 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.1° | 0.2° |
| C24 | C23 | C22 | H221 | 179.9° | 179.9° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | H221 | 179.5° | 179.9° |
| O12 | C10 | N09 | C11 | 179.5° | 175.0° |
| O12 | C10 | N09 | C08 | 1.8° | 5.0° |
| O12 | C10 | C13 | H131 | 106.5° | 124.7° |
| O12 | C10 | C13 | H132 | 133.5° | 115.3° |
| C10 | N09 | C11 | C08 | 177.9° | 180.0° |
| C10 | N09 | C11 | C14 | 93.8° | 96.0° |
| C10 | N09 | C08 | C07 | 49.5° | 90.0° |
| C10 | N09 | C11 | H111 | 146.7° | 24.0° |
| C10 | N09 | C11 | H112 | 25.6° | 144.0° |
| N09 | C10 | C13 | H131 | 73.5° | 55.0° |
| N09 | C10 | C13 | H132 | 46.6° | 65.0° |
| C10 | N09 | C08 | H081 | 169.0° | 30.0° |
| C10 | N09 | C08 | H082 | 70.1° | 150.0° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | H211 | 179.5° | 180.0° |
| C22 | C23 | C24 | H241 | 179.9° | 179.7° |
| C22 | C21 | C20 | H201 | 179.3° | 179.9° |
| C21 | C22 | C23 | H231 | 179.9° | 179.9° |
| N09 | C11 | C14 | H111 | 119.4° | 120.0° |
| N09 | C11 | C14 | H112 | 119.5° | 120.0° |
| N09 | C11 | C14 | C30 | 179.8° | 96.6° |
| N09 | C11 | C14 | C26 | 1.0° | 83.7° |
| C11 | N09 | C08 | C07 | 132.8° | 90.0° |
| N09 | C11 | H111 | H112 | 121.6° | 120.0° |
| C11 | N09 | C08 | H081 | 13.2° | 150.0° |
| C11 | N09 | C08 | H082 | 107.7° | 30.0° |
| C14 | C11 | N09 | C08 | 84.1° | 84.0° |
| C11 | C14 | C30 | C26 | 179.2° | 179.6° |
| C11 | C14 | C30 | C29 | 179.6° | 179.7° |
| C11 | C14 | C26 | C27 | 179.7° | 180.0° |
| C14 | C11 | H111 | H112 | 121.6° | 120.1° |
| C11 | C14 | C26 | H261 | 0.3° | 0.1° |
| C11 | C14 | C30 | H301 | 0.3° | 0.0° |
| N09 | C08 | C07 | H081 | 119.5° | 120.0° |
| N09 | C08 | C07 | H082 | 119.6° | 120.0° |
| N09 | C08 | C07 | C03 | 157.5° | 180.0° |
| C08 | N09 | C11 | H111 | 35.4° | 156.0° |
| C08 | N09 | C11 | H112 | 156.5° | 36.0° |
| N09 | C08 | C07 | H071 | 81.3° | 60.0° |
| N09 | C08 | C07 | H072 | 36.2° | 60.0° |
| N09 | C08 | H081 | H082 | 121.3° | 120.0° |
| C14 | C30 | C29 | H301 | 180.0° | 179.7° |
| C14 | C30 | C29 | C34 | 179.7° | 179.7° |
| C14 | C30 | C29 | C28 | 0.1° | 0.6° |
| C30 | C14 | C26 | C27 | 0.5° | 0.4° |
| C30 | C14 | C11 | H111 | 60.3° | 23.3° |
| C30 | C14 | C11 | H112 | 60.7° | 143.4° |
| C30 | C14 | C26 | H261 | 179.5° | 179.8° |
| C29 | C30 | C14 | C26 | 0.4° | 0.6° |
| C30 | C29 | C34 | C28 | 179.8° | 179.7° |
| C30 | C29 | C34 | C33 | 179.9° | 179.6° |
| C30 | C29 | C28 | C27 | 0.0° | 0.4° |
| C30 | C29 | C28 | C31 | 179.9° | 179.7° |
| C30 | C29 | C34 | H341 | 0.1° | 0.3° |
| C14 | C26 | C27 | H261 | 180.0° | 179.9° |
| C14 | C26 | C27 | C28 | 0.3° | 0.1° |
| C26 | C14 | C11 | H111 | 120.4° | 156.3° |
| C26 | C14 | C11 | H112 | 118.5° | 36.2° |
| C14 | C26 | C27 | H271 | 179.6° | 180.0° |
| C26 | C14 | C30 | H301 | 179.6° | 179.7° |
| C08 | C07 | C03 | H071 | 121.2° | 120.0° |
| C08 | C07 | C03 | H072 | 121.2° | 120.0° |
| C08 | C07 | C03 | C04 | 133.6° | 90.0° |
| C08 | C07 | C03 | C02 | 50.4° | 90.0° |
| C08 | C07 | H071 | H072 | 116.1° | 120.0° |
| C07 | C08 | H081 | H082 | 121.3° | 120.0° |
| C07 | C03 | C04 | C02 | 176.2° | 179.9° |
| C07 | C03 | C04 | C05 | 177.3° | 180.0° |
| C07 | C03 | C02 | C01 | 176.7° | 180.0° |
| C07 | C03 | C02 | H021 | 3.3° | 0.0° |
| C07 | C03 | C04 | H041 | 2.7° | 0.1° |
| C03 | C07 | H071 | H072 | 116.1° | 120.0° |
| C03 | C07 | C08 | H081 | 38.0° | 60.0° |
| C03 | C07 | C08 | H082 | 82.9° | 60.0° |
| C29 | C34 | C33 | H341 | 180.0° | 179.9° |
| C29 | C34 | C33 | C32 | 0.1° | 0.0° |
| C34 | C29 | C28 | C27 | 179.8° | 180.0° |
| C34 | C29 | C28 | C31 | 0.2° | 0.0° |
| C34 | C29 | C30 | H301 | 0.3° | 0.0° |
| C29 | C34 | C33 | H331 | 179.9° | 180.0° |
| C33 | C34 | C29 | C28 | 0.2° | 0.0° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.0° | 0.0° |
| C34 | C33 | C32 | H321 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.1° | 0.1° |
| C29 | C28 | C27 | C31 | 179.9° | 179.9° |
| C29 | C28 | C31 | C32 | 0.1° | 0.1° |
| C29 | C28 | C27 | H271 | 179.9° | 180.0° |
| C28 | C29 | C30 | H301 | 179.8° | 179.7° |
| C29 | C28 | C31 | H311 | 179.9° | 179.9° |
| C28 | C29 | C34 | H341 | 179.8° | 180.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C31 | 179.8° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 1.0° | 0.1° |
| C03 | C04 | C05 | C06 | 1.0° | 0.1° |
| C04 | C03 | C02 | H021 | 179.0° | 180.0° |
| C03 | C04 | C05 | H051 | 178.9° | 180.0° |
| C04 | C03 | C07 | H071 | 12.4° | 150.0° |
| C04 | C03 | C07 | H072 | 105.1° | 30.1° |
| C02 | C03 | C04 | C05 | 1.1° | 0.1° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.8° | 0.1° |
| C03 | C02 | C01 | H011 | 179.2° | 179.7° |
| C02 | C03 | C04 | H041 | 178.9° | 180.0° |
| C02 | C03 | C07 | H071 | 171.7° | 30.1° |
| C02 | C03 | C07 | H072 | 70.8° | 150.0° |
| C33 | C32 | C31 | C28 | 0.0° | 0.1° |
| C33 | C32 | C31 | H321 | 180.0° | 179.9° |
| C33 | C32 | C31 | H311 | 180.0° | 180.0° |
| C32 | C33 | C34 | H341 | 179.9° | 180.0° |
| C27 | C28 | C31 | C32 | 180.0° | 180.0° |
| C28 | C27 | C26 | H261 | 179.6° | 180.0° |
| C27 | C28 | C31 | H311 | 0.0° | 0.0° |
| C28 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C28 | C27 | H271 | 0.2° | 0.0° |
| C28 | C31 | C32 | H321 | 180.0° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C01 | 0.9° | 0.0° |
| C04 | C05 | C06 | S35 | 179.2° | 179.7° |
| C02 | C01 | C06 | C05 | 0.8° | 0.0° |
| C02 | C01 | C06 | H011 | 180.0° | 179.8° |
| C02 | C01 | C06 | S35 | 179.3° | 179.7° |
| C31 | C32 | C33 | H331 | 180.0° | 180.0° |
| C05 | C06 | C01 | S35 | 179.9° | 179.7° |
| C05 | C06 | S35 | N38 | 129.3° | 90.3° |
| C05 | C06 | S35 | O37 | 11.5° | 156.2° |
| C05 | C06 | S35 | O36 | 111.3° | 23.2° |
| C05 | C06 | C01 | H011 | 179.2° | 179.7° |
| C06 | C05 | C04 | H041 | 178.9° | 179.9° |
| C01 | C06 | S35 | N38 | 50.8° | 90.0° |
| C01 | C06 | S35 | O37 | 168.6° | 23.5° |
| C01 | C06 | S35 | O36 | 68.6° | 156.5° |
| C06 | C01 | C02 | H021 | 179.2° | 180.0° |
| C01 | C06 | C05 | H051 | 179.1° | 180.0° |
| C06 | S35 | N38 | O37 | 114.7° | 113.6° |
| C06 | S35 | N38 | O36 | 116.2° | 113.6° |
| C06 | S35 | O37 | O36 | 117.4° | 123.0° |
| S35 | C06 | C01 | H011 | 0.7° | 0.0° |
| S35 | C06 | C05 | H051 | 0.8° | 0.3° |
| C06 | S35 | N38 | H382 | 180.0° | 0.0° |
| C06 | S35 | N38 | H381 | 60.0° | 180.0° |
| N38 | S35 | O37 | O36 | 127.2° | 122.9° |
| S35 | N38 | H382 | H381 | 120.0° | 180.0° |
| O37 | S35 | N38 | H382 | 65.3° | 113.6° |
| O37 | S35 | N38 | H381 | 54.7° | 66.4° |
| O36 | S35 | N38 | H382 | 63.8° | 113.5° |
| O36 | S35 | N38 | H381 | 176.2° | 66.4° |
| H162 | C16 | C18 | H182 | 166.2° | 60.0° |
| H162 | C16 | C18 | H181 | 47.8° | 180.0° |
| H161 | C16 | C18 | H182 | 74.8° | 180.0° |
| H161 | C16 | C18 | H181 | 166.7° | 60.0° |
| H011 | C01 | C02 | H021 | 0.8° | 0.2° |
| H041 | C04 | C05 | H051 | 1.1° | 0.1° |
| H071 | C07 | C08 | H081 | 159.2° | 180.0° |
| H071 | C07 | C08 | H082 | 38.3° | 60.0° |
| H072 | C07 | C08 | H081 | 83.3° | 60.0° |
| H072 | C07 | C08 | H082 | 155.8° | 180.0° |
| H171 | C17 | C25 | H252 | 92.7° | 175.2° |
| H171 | C17 | C25 | H251 | 26.4° | 64.8° |
| H172 | C17 | C25 | H252 | 147.8° | 55.2° |
| H172 | C17 | C25 | H251 | 93.1° | 175.2° |
| H201 | C20 | C21 | H211 | 0.7° | 0.0° |
| H211 | C21 | C22 | H221 | 0.5° | 0.1° |
| H221 | C22 | C23 | H231 | 0.1° | 0.0° |
| H231 | C23 | C24 | H241 | 0.0° | 0.1° |
| H261 | C26 | C27 | H271 | 0.4° | 0.1° |
| H311 | C31 | C32 | H321 | 0.0° | 0.1° |
| H321 | C32 | C33 | H331 | 0.0° | 0.1° |
| H331 | C33 | C34 | H341 | 0.1° | 0.0° |
