D5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | O07 | sing | 1.36Å | 1.41Å | |
| C06 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| O07 | C08 | sing | 1.43Å | 1.40Å | |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C11 | sing | 1.49Å | 1.53Å | |
| C11 | C12 | doub | 1.37Å | 1.38Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.36Å | Aromatic |
| C12 | N13 | sing | 1.35Å | 1.35Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| N13 | C15 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.47Å | 1.54Å | |
| C17 | O18 | doub | 1.22Å | 1.18Å | |
| C17 | N19 | sing | 1.35Å | 1.46Å | |
| N19 | C20 | sing | 1.39Å | 1.47Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | N25 | sing | 1.33Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C26 | sing | 1.47Å | 1.54Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.33Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | N30 | sing | 1.38Å | 1.31Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.32Å | Aromatic |
| C27 | C33 | sing | 1.48Å | 1.53Å | |
| N28 | C29 | doub | 1.31Å | 1.34Å | Aromatic |
| C29 | N30 | sing | 1.36Å | 1.34Å | Aromatic |
| C29 | S31 | sing | 1.76Å | 1.82Å | |
| S31 | C32 | sing | 1.81Å | 1.82Å | |
| C33 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C39 | sing | 1.40Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.39Å | Aromatic |
| C36 | F37 | sing | 1.35Å | 1.37Å | |
| C36 | C38 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 115.3° | 117.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C03 | C04 | 120.8° | 119.9° |
| O02 | C03 | C10 | 119.8° | 120.0° |
| C04 | C03 | C10 | 119.4° | 120.1° |
| C03 | C04 | C05 | 120.1° | 120.2° |
| C03 | C04 | H041 | 120.0° | 119.9° |
| C03 | C10 | C09 | 120.2° | 119.9° |
| C03 | C10 | H101 | 119.9° | 120.0° |
| C04 | C05 | C06 | 120.6° | 120.1° |
| C05 | C04 | H041 | 119.9° | 119.9° |
| C04 | C05 | H051 | 119.7° | 120.0° |
| C05 | C06 | O07 | 122.2° | 120.0° |
| C05 | C06 | C09 | 118.7° | 119.9° |
| C06 | C05 | H051 | 119.7° | 120.0° |
| O07 | C06 | C09 | 119.1° | 120.1° |
| C06 | O07 | C08 | 120.3° | 117.0° |
| C06 | C09 | C10 | 120.9° | 119.8° |
| C06 | C09 | C11 | 121.5° | 120.1° |
| O07 | C08 | H081 | 109.5° | 109.4° |
| O07 | C08 | H083 | 109.5° | 109.4° |
| O07 | C08 | H082 | 109.5° | 109.5° |
| C10 | C09 | C11 | 117.6° | 120.1° |
| C09 | C10 | H101 | 119.9° | 120.1° |
| C09 | C11 | C12 | 128.6° | 126.3° |
| C09 | C11 | C16 | 123.6° | 126.3° |
| C12 | C11 | C16 | 107.8° | 107.4° |
| C11 | C12 | N13 | 107.1° | 108.6° |
| C11 | C12 | H121 | 126.4° | 125.7° |
| C11 | C16 | C15 | 107.7° | 107.1° |
| C11 | C16 | H161 | 126.1° | 126.5° |
| C12 | N13 | C14 | 124.6° | 125.5° |
| C12 | N13 | C15 | 109.8° | 109.0° |
| N13 | C12 | H121 | 126.4° | 125.7° |
| C14 | N13 | C15 | 125.6° | 125.6° |
| N13 | C14 | H143 | 109.5° | 109.5° |
| N13 | C14 | H141 | 109.5° | 109.4° |
| N13 | C14 | H142 | 109.5° | 109.5° |
| N13 | C15 | C16 | 107.6° | 107.9° |
| N13 | C15 | C17 | 129.4° | 126.0° |
| C16 | C15 | C17 | 123.0° | 126.1° |
| C15 | C16 | H161 | 126.2° | 126.4° |
| C15 | C17 | O18 | 120.5° | 120.0° |
| C15 | C17 | N19 | 117.3° | 120.0° |
| O18 | C17 | N19 | 122.1° | 119.9° |
| C17 | N19 | C20 | 123.0° | 120.1° |
| C17 | N19 | H191 | 118.5° | 119.9° |
| N19 | C20 | C21 | 120.1° | 119.6° |
| N19 | C20 | N25 | 119.0° | 119.6° |
| C20 | N19 | H191 | 118.5° | 120.0° |
| C21 | C20 | N25 | 120.8° | 120.8° |
| C20 | C21 | C22 | 119.2° | 118.9° |
| C20 | C21 | H211 | 120.4° | 120.6° |
| C20 | N25 | C24 | 122.2° | 122.0° |
| C21 | C22 | C23 | 117.8° | 118.2° |
| C21 | C22 | C26 | 119.2° | 120.9° |
| C22 | C21 | H211 | 120.4° | 120.6° |
| C23 | C22 | C26 | 122.9° | 120.9° |
| C22 | C23 | C24 | 120.0° | 119.1° |
| C22 | C23 | H231 | 120.0° | 120.5° |
| C22 | C26 | C27 | 130.2° | 126.8° |
| C22 | C26 | N30 | 122.2° | 126.9° |
| C23 | C24 | N25 | 119.9° | 121.0° |
| C24 | C23 | H231 | 120.0° | 120.4° |
| C23 | C24 | H241 | 120.1° | 119.5° |
| N25 | C24 | H241 | 120.1° | 119.5° |
| C27 | C26 | N30 | 107.6° | 106.3° |
| C26 | C27 | N28 | 107.7° | 107.7° |
| C26 | C27 | C33 | 129.6° | 126.2° |
| C26 | N30 | C29 | 108.3° | 107.1° |
| C26 | N30 | H301 | 125.9° | 126.4° |
| N28 | C27 | C33 | 122.7° | 126.1° |
| C27 | N28 | C29 | 108.3° | 109.7° |
| C27 | C33 | C34 | 118.9° | 120.1° |
| C27 | C33 | C39 | 121.0° | 120.1° |
| N28 | C29 | N30 | 108.1° | 109.2° |
| N28 | C29 | S31 | 126.3° | 125.4° |
| N30 | C29 | S31 | 125.5° | 125.4° |
| C29 | N30 | H301 | 125.8° | 126.4° |
| C29 | S31 | C32 | 108.4° | 100.0° |
| S31 | C32 | H323 | 109.5° | 109.5° |
| S31 | C32 | H322 | 109.5° | 109.5° |
| S31 | C32 | H321 | 109.4° | 109.4° |
| C34 | C33 | C39 | 120.1° | 119.8° |
| C33 | C34 | C35 | 120.0° | 119.9° |
| C33 | C34 | H341 | 120.0° | 120.1° |
| C33 | C39 | C38 | 119.8° | 119.9° |
| C33 | C39 | H391 | 120.1° | 120.1° |
| C34 | C35 | C36 | 120.0° | 120.1° |
| C35 | C34 | H341 | 120.0° | 120.0° |
| C34 | C35 | H351 | 120.0° | 119.9° |
| C35 | C36 | F37 | 119.8° | 119.9° |
| C35 | C36 | C38 | 120.0° | 120.2° |
| C36 | C35 | H351 | 120.0° | 120.0° |
| F37 | C36 | C38 | 120.2° | 119.9° |
| C36 | C38 | C39 | 120.1° | 120.1° |
| C36 | C38 | H381 | 120.0° | 120.0° |
| C39 | C38 | H381 | 120.0° | 119.9° |
| C38 | C39 | H391 | 120.1° | 120.1° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.4° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.4° | 109.5° |
| H323 | C32 | H321 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 117.9° | 0.0° |
| C01 | O02 | C03 | C10 | 62.5° | 179.7° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C03 | C04 | C10 | 179.6° | 179.6° |
| O02 | C03 | C04 | C05 | 179.8° | 180.0° |
| O02 | C03 | C10 | C09 | 179.5° | 179.7° |
| C03 | O02 | C01 | H012 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 180.0° |
| O02 | C03 | C04 | H041 | 0.2° | 0.1° |
| O02 | C03 | C10 | H101 | 0.5° | 0.1° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C10 | C09 | 0.9° | 0.6° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C03 | C10 | H101 | 179.1° | 179.7° |
| C10 | C03 | C04 | C05 | 0.2° | 0.3° |
| C03 | C10 | C09 | C06 | 1.5° | 0.6° |
| C03 | C10 | C09 | H101 | 180.0° | 179.7° |
| C03 | C10 | C09 | C11 | 179.5° | 179.7° |
| C10 | C03 | C04 | H041 | 179.8° | 179.7° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | O07 | 179.3° | 180.0° |
| C04 | C05 | C06 | C09 | 0.8° | 0.1° |
| C05 | C06 | O07 | C09 | 178.5° | 179.9° |
| C05 | C06 | O07 | C08 | 22.1° | 0.0° |
| C05 | C06 | C09 | C10 | 1.5° | 0.2° |
| C05 | C06 | C09 | C11 | 179.4° | 180.0° |
| C06 | C05 | C04 | H041 | 179.9° | 179.9° |
| O07 | C06 | C09 | C10 | 179.9° | 179.7° |
| O07 | C06 | C09 | C11 | 2.0° | 0.0° |
| O07 | C06 | C05 | H051 | 0.7° | 0.0° |
| C06 | O07 | C08 | H081 | 180.0° | 180.0° |
| C06 | O07 | C08 | H083 | 60.0° | 60.0° |
| C06 | O07 | C08 | H082 | 60.0° | 60.0° |
| C09 | C06 | O07 | C08 | 159.4° | 179.9° |
| C06 | C09 | C10 | C11 | 178.0° | 179.7° |
| C06 | C09 | C11 | C12 | 63.9° | 130.0° |
| C06 | C09 | C11 | C16 | 117.1° | 50.3° |
| C09 | C06 | C05 | H051 | 179.2° | 180.0° |
| C06 | C09 | C10 | H101 | 178.5° | 179.8° |
| O07 | C08 | H081 | H083 | 120.0° | 119.9° |
| O07 | C08 | H081 | H082 | 120.0° | 120.0° |
| O07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C10 | C09 | C11 | C12 | 118.1° | 49.7° |
| C10 | C09 | C11 | C16 | 60.9° | 129.9° |
| C09 | C11 | C12 | C16 | 179.1° | 179.7° |
| C09 | C11 | C12 | N13 | 179.6° | 180.0° |
| C09 | C11 | C16 | C15 | 179.3° | 179.9° |
| C11 | C09 | C10 | H101 | 0.5° | 0.0° |
| C09 | C11 | C12 | H121 | 0.4° | 0.1° |
| C09 | C11 | C16 | H161 | 0.7° | 0.0° |
| C11 | C12 | N13 | H121 | 180.0° | 179.9° |
| C11 | C12 | N13 | C14 | 179.9° | 180.0° |
| C11 | C12 | N13 | C15 | 0.6° | 0.1° |
| C12 | C11 | C16 | C15 | 0.2° | 0.5° |
| C12 | C11 | C16 | H161 | 179.8° | 179.7° |
| C16 | C11 | C12 | N13 | 0.5° | 0.3° |
| C11 | C16 | C15 | N13 | 0.2° | 0.4° |
| C11 | C16 | C15 | H161 | 180.0° | 179.8° |
| C11 | C16 | C15 | C17 | 179.4° | 179.8° |
| C16 | C11 | C12 | H121 | 179.5° | 179.8° |
| C12 | N13 | C14 | C15 | 179.4° | 179.9° |
| C12 | N13 | C15 | C16 | 0.5° | 0.2° |
| C12 | N13 | C15 | C17 | 179.6° | 180.0° |
| C12 | N13 | C14 | H143 | 180.0° | 87.1° |
| C12 | N13 | C14 | H141 | 60.0° | 152.9° |
| C12 | N13 | C14 | H142 | 60.0° | 32.9° |
| C14 | N13 | C15 | C16 | 180.0° | 179.7° |
| C14 | N13 | C15 | C17 | 0.9° | 0.1° |
| C14 | N13 | C12 | H121 | 0.1° | 0.1° |
| N13 | C14 | H143 | H141 | 120.0° | 120.0° |
| N13 | C14 | H143 | H142 | 120.0° | 120.0° |
| N13 | C14 | H141 | H142 | 120.0° | 120.0° |
| N13 | C15 | C16 | C17 | 179.1° | 179.8° |
| N13 | C15 | C17 | O18 | 29.1° | 5.5° |
| N13 | C15 | C17 | N19 | 151.8° | 174.5° |
| C15 | N13 | C12 | H121 | 179.4° | 180.0° |
| C15 | N13 | C14 | H143 | 0.6° | 92.8° |
| C15 | N13 | C14 | H141 | 119.4° | 27.2° |
| C15 | N13 | C14 | H142 | 120.6° | 147.2° |
| N13 | C15 | C16 | H161 | 179.8° | 179.8° |
| C16 | C15 | C17 | O18 | 149.9° | 174.2° |
| C16 | C15 | C17 | N19 | 29.3° | 5.7° |
| C15 | C17 | O18 | N19 | 179.1° | 180.0° |
| C15 | C17 | N19 | C20 | 178.9° | 173.1° |
| C17 | C15 | C16 | H161 | 0.6° | 0.0° |
| C15 | C17 | N19 | H191 | 1.1° | 6.8° |
| O18 | C17 | N19 | C20 | 0.2° | 6.8° |
| O18 | C17 | N19 | H191 | 179.8° | 173.2° |
| C17 | N19 | C20 | H191 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 30.4° | 21.8° |
| C17 | N19 | C20 | N25 | 151.6° | 158.0° |
| N19 | C20 | C21 | N25 | 178.0° | 179.8° |
| N19 | C20 | C21 | C22 | 179.7° | 180.0° |
| N19 | C20 | N25 | C24 | 179.2° | 179.7° |
| N19 | C20 | C21 | H211 | 0.3° | 0.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 0.1° |
| C20 | C21 | C22 | C26 | 179.7° | 180.0° |
| C21 | C20 | N25 | C24 | 1.2° | 0.5° |
| C21 | C20 | N19 | H191 | 149.6° | 158.3° |
| N25 | C20 | C21 | C22 | 1.7° | 0.2° |
| C20 | N25 | C24 | C23 | 0.6° | 0.5° |
| N25 | C20 | N19 | H191 | 28.4° | 22.0° |
| N25 | C20 | C21 | H211 | 178.3° | 179.8° |
| C20 | N25 | C24 | H241 | 179.4° | 179.7° |
| C21 | C22 | C23 | C26 | 178.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.1° | 0.1° |
| C21 | C22 | C26 | C27 | 151.2° | 135.0° |
| C21 | C22 | C26 | N30 | 29.6° | 45.3° |
| C21 | C22 | C23 | H231 | 178.9° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 0.6° | 0.2° |
| C23 | C22 | C26 | C27 | 30.8° | 45.0° |
| C23 | C22 | C26 | N30 | 148.5° | 134.6° |
| C23 | C22 | C21 | H211 | 178.4° | 179.9° |
| C22 | C23 | C24 | H241 | 179.4° | 180.0° |
| C26 | C22 | C23 | C24 | 179.1° | 180.0° |
| C22 | C26 | C27 | N30 | 179.4° | 179.7° |
| C22 | C26 | C27 | N28 | 179.6° | 180.0° |
| C22 | C26 | C27 | C33 | 1.0° | 0.1° |
| C22 | C26 | N30 | C29 | 179.5° | 179.9° |
| C26 | C22 | C21 | H211 | 0.3° | 0.0° |
| C26 | C22 | C23 | H231 | 0.9° | 0.0° |
| C22 | C26 | N30 | H301 | 0.5° | 0.0° |
| C23 | C24 | N25 | H241 | 180.0° | 179.8° |
| N25 | C24 | C23 | H231 | 179.4° | 179.8° |
| C26 | C27 | N28 | C33 | 179.5° | 180.0° |
| C26 | C27 | N28 | C29 | 0.2° | 0.0° |
| C27 | C26 | N30 | C29 | 0.1° | 0.4° |
| C26 | C27 | C33 | C34 | 131.0° | 145.0° |
| C26 | C27 | C33 | C39 | 50.6° | 35.3° |
| C27 | C26 | N30 | H301 | 179.9° | 179.7° |
| N30 | C26 | C27 | N28 | 0.2° | 0.3° |
| N30 | C26 | C27 | C33 | 179.7° | 179.8° |
| C26 | N30 | C29 | N28 | 0.1° | 0.4° |
| C26 | N30 | C29 | H301 | 180.0° | 179.9° |
| C26 | N30 | C29 | S31 | 179.8° | 179.8° |
| C27 | N28 | C29 | N30 | 0.2° | 0.3° |
| C27 | N28 | C29 | S31 | 180.0° | 180.0° |
| N28 | C27 | C33 | C34 | 49.6° | 35.0° |
| N28 | C27 | C33 | C39 | 128.8° | 144.7° |
| C33 | C27 | N28 | C29 | 179.8° | 180.0° |
| C27 | C33 | C34 | C39 | 178.4° | 179.7° |
| C27 | C33 | C34 | C35 | 179.3° | 180.0° |
| C27 | C33 | C39 | C38 | 179.3° | 179.8° |
| C27 | C33 | C34 | H341 | 0.7° | 0.1° |
| C27 | C33 | C39 | H391 | 0.7° | 0.0° |
| N28 | C29 | N30 | S31 | 179.8° | 179.7° |
| N28 | C29 | S31 | C32 | 134.1° | 0.0° |
| N28 | C29 | N30 | H301 | 179.9° | 179.7° |
| N30 | C29 | S31 | C32 | 45.6° | 179.7° |
| S31 | C29 | N30 | H301 | 0.2° | 0.0° |
| C29 | S31 | C32 | H323 | 180.0° | 180.0° |
| C29 | S31 | C32 | H322 | 60.0° | 60.0° |
| C29 | S31 | C32 | H321 | 60.0° | 60.0° |
| S31 | C32 | H323 | H322 | 120.0° | 120.0° |
| S31 | C32 | H323 | H321 | 120.0° | 119.9° |
| S31 | C32 | H322 | H321 | 120.0° | 120.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.4° | 0.1° |
| C34 | C33 | C39 | C38 | 0.8° | 0.6° |
| C33 | C34 | C35 | H351 | 179.6° | 180.0° |
| C34 | C33 | C39 | H391 | 179.1° | 179.7° |
| C39 | C33 | C34 | C35 | 0.8° | 0.3° |
| C33 | C39 | C38 | C36 | 0.4° | 0.5° |
| C33 | C39 | C38 | H391 | 180.0° | 179.7° |
| C39 | C33 | C34 | H341 | 179.2° | 179.7° |
| C33 | C39 | C38 | H381 | 179.6° | 179.7° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | F37 | 179.9° | 180.0° |
| C34 | C35 | C36 | C38 | 0.1° | 0.0° |
| C35 | C36 | F37 | C38 | 180.0° | 180.0° |
| C35 | C36 | C38 | C39 | 0.1° | 0.2° |
| C36 | C35 | C34 | H341 | 179.6° | 180.0° |
| C35 | C36 | C38 | H381 | 179.9° | 180.0° |
| F37 | C36 | C38 | C39 | 179.9° | 179.8° |
| F37 | C36 | C35 | H351 | 0.1° | 0.1° |
| F37 | C36 | C38 | H381 | 0.1° | 0.0° |
| C36 | C38 | C39 | H381 | 180.0° | 179.8° |
| C38 | C36 | C35 | H351 | 179.9° | 179.9° |
| C36 | C38 | C39 | H391 | 179.6° | 179.8° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H081 | C08 | H083 | H082 | 120.0° | 120.1° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H231 | C23 | C24 | H241 | 0.6° | 0.1° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.4° | 0.1° |
| H381 | C38 | C39 | H391 | 0.4° | 0.0° |
