A1AQ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | N08 | sing | 1.47Å | 1.45Å | |
| N08 | C09 | sing | 1.35Å | 1.45Å | |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C09 | O11 | doub | 1.22Å | 1.18Å | |
| C07 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C13 | doub | 1.35Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.39Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | C16 | sing | 1.42Å | 1.36Å | |
| C16 | C17 | doub | 1.37Å | 1.42Å | |
| C17 | C10 | sing | 1.46Å | 1.39Å | |
| C15 | N18 | doub | 1.31Å | 1.37Å | |
| N18 | C19 | sing | 1.34Å | 1.33Å | |
| C19 | C20 | sing | 1.47Å | 1.40Å | |
| C20 | C16 | sing | 1.48Å | 1.41Å | |
| C19 | O21 | doub | 1.22Å | 1.19Å | |
| C20 | C22 | doub | 1.38Å | 1.33Å | |
| C22 | C23 | sing | 1.41Å | 1.53Å | |
| C23 | N24 | sing | 1.38Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.36Å | 1.32Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | N30 | sing | 1.41Å | 1.45Å | |
| N30 | C31 | sing | 1.35Å | 1.45Å | |
| C31 | C32 | sing | 1.47Å | 1.52Å | |
| C31 | O33 | doub | 1.22Å | 1.18Å | |
| C02 | F34 | sing | 1.35Å | 1.37Å | |
| C32 | C35 | sing | 1.47Å | 1.43Å | Aromatic |
| C35 | C36 | doub | 1.34Å | 1.40Å | Aromatic |
| C36 | O37 | sing | 1.34Å | 1.30Å | Aromatic |
| O37 | C38 | sing | 1.34Å | 1.30Å | Aromatic |
| C38 | C32 | doub | 1.36Å | 1.39Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N24 | H2 | sing | 0.97Å | 1.00Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 120.0° | 120.0° |
| C02 | C01 | C06 | 120.0° | 119.9° |
| C01 | C02 | F34 | 120.2° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C03 | C02 | F34 | 119.9° | 120.1° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.9° | 120.0° |
| C04 | C03 | H031 | 119.9° | 120.1° |
| C03 | C04 | H041 | 120.1° | 119.9° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C04 | C05 | C07 | 120.2° | 120.0° |
| C05 | C04 | H041 | 120.1° | 120.0° |
| C05 | C06 | C01 | 119.9° | 120.0° |
| C06 | C05 | C07 | 119.7° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C06 | C01 | H011 | 120.0° | 120.1° |
| C01 | C06 | H061 | 120.1° | 120.0° |
| C05 | C07 | N08 | 107.5° | 109.5° |
| C05 | C07 | C12 | 109.8° | 109.5° |
| C05 | C07 | H071 | 109.4° | 109.5° |
| C07 | N08 | C09 | 119.5° | 120.0° |
| N08 | C07 | C12 | 110.1° | 109.5° |
| N08 | C07 | H071 | 110.5° | 109.5° |
| C07 | N08 | H081 | 120.3° | 120.0° |
| N08 | C09 | C10 | 119.1° | 120.0° |
| N08 | C09 | O11 | 120.3° | 120.0° |
| C09 | N08 | H081 | 120.2° | 120.0° |
| C10 | C09 | O11 | 120.6° | 120.0° |
| C09 | C10 | C13 | 120.7° | 119.4° |
| C09 | C10 | C17 | 119.0° | 119.4° |
| C12 | C07 | H071 | 109.5° | 109.4° |
| C07 | C12 | H121 | 109.5° | 109.5° |
| C07 | C12 | H123 | 109.5° | 109.5° |
| C07 | C12 | H122 | 109.5° | 109.4° |
| C10 | C13 | C14 | 120.0° | 119.3° |
| C13 | C10 | C17 | 120.3° | 121.2° |
| C10 | C13 | H131 | 120.0° | 120.4° |
| C13 | C14 | C15 | 119.5° | 117.9° |
| C14 | C13 | H131 | 120.0° | 120.4° |
| C13 | C14 | H141 | 106.9° | 107.8° |
| C13 | C14 | H1 | 106.9° | 107.8° |
| C14 | C15 | C16 | 120.4° | 118.1° |
| C14 | C15 | N18 | 130.9° | 131.7° |
| C15 | C14 | H141 | 106.9° | 107.7° |
| C15 | C14 | H1 | 106.9° | 107.7° |
| C15 | C16 | C17 | 120.4° | 121.3° |
| C16 | C15 | N18 | 108.7° | 110.2° |
| C15 | C16 | C20 | 106.9° | 105.4° |
| C16 | C17 | C10 | 119.5° | 122.2° |
| C17 | C16 | C20 | 132.7° | 133.2° |
| C16 | C17 | H171 | 120.3° | 118.9° |
| C10 | C17 | H171 | 120.3° | 118.9° |
| C15 | N18 | C19 | 109.6° | 113.1° |
| N18 | C19 | C20 | 108.0° | 107.6° |
| N18 | C19 | O21 | 124.2° | 126.2° |
| C19 | C20 | C16 | 106.8° | 103.7° |
| C20 | C19 | O21 | 127.9° | 126.2° |
| C19 | C20 | C22 | 130.8° | 128.2° |
| C16 | C20 | C22 | 122.4° | 128.1° |
| C20 | C22 | C23 | 124.6° | 120.0° |
| C20 | C22 | H221 | 117.7° | 120.1° |
| C22 | C23 | N24 | 127.5° | 126.2° |
| C22 | C23 | C27 | 124.5° | 126.2° |
| C23 | C22 | H221 | 117.7° | 120.0° |
| C23 | N24 | C25 | 111.0° | 108.7° |
| N24 | C23 | C27 | 108.0° | 107.6° |
| C23 | N24 | H2 | 124.5° | 125.7° |
| N24 | C25 | C26 | 107.9° | 108.8° |
| N24 | C25 | C29 | 125.9° | 125.6° |
| C25 | N24 | H2 | 124.5° | 125.6° |
| C25 | C26 | C27 | 106.7° | 107.9° |
| C26 | C25 | C29 | 126.2° | 125.6° |
| C25 | C26 | N30 | 126.5° | 126.1° |
| C26 | C27 | C23 | 106.3° | 107.1° |
| C26 | C27 | C28 | 126.3° | 126.5° |
| C27 | C26 | N30 | 126.8° | 126.1° |
| C23 | C27 | C28 | 127.3° | 126.4° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C25 | C29 | H291 | 109.5° | 109.4° |
| C25 | C29 | H292 | 109.5° | 109.5° |
| C25 | C29 | H293 | 109.4° | 109.5° |
| C26 | N30 | C31 | 119.5° | 120.0° |
| C26 | N30 | H301 | 120.3° | 120.0° |
| N30 | C31 | C32 | 118.9° | 119.9° |
| N30 | C31 | O33 | 120.5° | 120.0° |
| C31 | N30 | H301 | 120.3° | 120.0° |
| C32 | C31 | O33 | 120.6° | 120.0° |
| C31 | C32 | C35 | 127.7° | 127.2° |
| C31 | C32 | C38 | 127.8° | 127.2° |
| C32 | C35 | C36 | 105.4° | 105.9° |
| C35 | C32 | C38 | 104.5° | 105.6° |
| C32 | C35 | H351 | 127.3° | 127.0° |
| C35 | C36 | O37 | 108.9° | 109.1° |
| C36 | C35 | H351 | 127.3° | 127.0° |
| C35 | C36 | H361 | 125.5° | 125.4° |
| C36 | O37 | C38 | 111.4° | 110.9° |
| O37 | C36 | H361 | 125.5° | 125.5° |
| O37 | C38 | C32 | 109.7° | 108.4° |
| O37 | C38 | H381 | 125.1° | 125.8° |
| C32 | C38 | H381 | 125.1° | 125.8° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H141 | C14 | H1 | 109.5° | 107.5° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | F34 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | C05 | 0.2° | 0.5° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | H031 | 180.0° | 180.0° |
| C02 | C01 | C06 | H061 | 179.8° | 180.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C02 | C01 | C06 | 0.1° | 0.3° |
| C03 | C02 | C01 | H011 | 179.9° | 179.9° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C03 | C04 | C05 | C07 | 179.9° | 180.0° |
| C04 | C03 | C02 | F34 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.8° | 179.9° |
| C04 | C05 | C06 | C01 | 0.3° | 0.4° |
| C04 | C05 | C07 | N08 | 120.1° | 139.9° |
| C04 | C05 | C07 | C12 | 120.2° | 100.0° |
| C05 | C04 | C03 | H031 | 179.9° | 179.9° |
| C04 | C05 | C06 | H061 | 179.7° | 179.9° |
| C04 | C05 | C07 | H071 | 0.0° | 19.9° |
| C05 | C06 | C01 | H061 | 180.0° | 179.5° |
| C06 | C05 | C07 | N08 | 59.8° | 40.2° |
| C06 | C05 | C07 | C12 | 59.9° | 79.9° |
| C05 | C06 | C01 | H011 | 179.8° | 179.9° |
| C06 | C05 | C04 | H041 | 179.7° | 179.8° |
| C06 | C05 | C07 | H071 | 179.8° | 160.2° |
| C01 | C06 | C05 | C07 | 179.9° | 179.7° |
| C06 | C01 | C02 | F34 | 180.0° | 179.7° |
| C05 | C07 | N08 | C12 | 119.6° | 120.0° |
| C05 | C07 | N08 | H071 | 119.4° | 120.0° |
| C05 | C07 | N08 | C09 | 79.6° | 155.0° |
| C05 | C07 | C12 | H071 | 120.1° | 120.0° |
| C07 | C05 | C04 | H041 | 0.1° | 0.1° |
| C07 | C05 | C06 | H061 | 0.1° | 0.2° |
| C05 | C07 | C12 | H121 | 180.0° | 180.0° |
| C05 | C07 | C12 | H123 | 60.0° | 59.9° |
| C05 | C07 | C12 | H122 | 60.0° | 60.1° |
| C05 | C07 | N08 | H081 | 100.4° | 25.0° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.6° | 180.0° |
| C07 | N08 | C09 | O11 | 0.1° | 0.0° |
| N08 | C07 | C12 | H071 | 121.7° | 120.0° |
| N08 | C07 | C12 | H121 | 61.8° | 60.0° |
| N08 | C07 | C12 | H123 | 178.2° | 180.0° |
| N08 | C07 | C12 | H122 | 58.2° | 60.0° |
| N08 | C09 | C10 | O11 | 179.7° | 180.0° |
| C09 | N08 | C07 | C12 | 160.9° | 85.0° |
| N08 | C09 | C10 | C13 | 160.5° | 180.0° |
| N08 | C09 | C10 | C17 | 19.9° | 0.3° |
| C09 | N08 | C07 | H071 | 39.8° | 35.0° |
| C09 | C10 | C13 | C17 | 179.5° | 179.7° |
| C09 | C10 | C13 | C14 | 179.9° | 179.7° |
| C09 | C10 | C17 | C16 | 179.9° | 179.7° |
| C09 | C10 | C13 | H131 | 0.1° | 0.3° |
| C09 | C10 | C17 | H171 | 0.1° | 0.3° |
| C10 | C09 | N08 | H081 | 0.4° | 0.0° |
| O11 | C09 | C10 | C13 | 19.7° | 0.0° |
| O11 | C09 | C10 | C17 | 159.8° | 179.7° |
| O11 | C09 | N08 | H081 | 179.9° | 180.0° |
| C07 | C12 | H121 | H123 | 120.0° | 120.1° |
| C07 | C12 | H121 | H122 | 120.0° | 119.9° |
| C07 | C12 | H123 | H122 | 120.0° | 120.0° |
| C12 | C07 | N08 | H081 | 19.1° | 95.1° |
| C10 | C13 | C14 | H131 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.3° | 0.0° |
| C13 | C10 | C17 | C16 | 0.4° | 0.0° |
| C13 | C10 | C17 | H171 | 179.6° | 180.0° |
| C10 | C13 | C14 | H141 | 121.7° | 122.2° |
| C10 | C13 | C14 | H1 | 121.2° | 122.1° |
| C13 | C14 | C15 | H141 | 121.4° | 122.1° |
| C13 | C14 | C15 | H1 | 121.4° | 122.1° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C10 | C17 | 0.4° | 0.0° |
| C13 | C14 | C15 | N18 | 180.0° | 180.0° |
| C13 | C14 | H141 | H1 | 115.4° | 115.9° |
| C14 | C15 | C16 | N18 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | N18 | C19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C20 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 179.7° | 179.9° |
| C15 | C14 | H141 | H1 | 115.5° | 115.9° |
| C15 | C16 | C17 | C20 | 179.8° | 180.0° |
| C15 | C16 | C17 | C10 | 0.2° | 0.0° |
| C16 | C15 | N18 | C19 | 0.1° | 0.1° |
| C15 | C16 | C20 | C19 | 0.1° | 0.0° |
| C15 | C16 | C20 | C22 | 179.7° | 180.0° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C16 | C15 | C14 | H141 | 121.5° | 122.2° |
| C16 | C15 | C14 | H1 | 121.3° | 122.1° |
| C16 | C17 | C10 | H171 | 180.0° | 180.0° |
| C17 | C16 | C15 | N18 | 180.0° | 180.0° |
| C17 | C16 | C20 | C19 | 180.0° | 180.0° |
| C17 | C16 | C20 | C22 | 0.4° | 0.0° |
| C10 | C17 | C16 | C20 | 180.0° | 180.0° |
| C17 | C10 | C13 | H131 | 179.6° | 180.0° |
| C15 | N18 | C19 | C20 | 0.0° | 0.0° |
| N18 | C15 | C16 | C20 | 0.1° | 0.0° |
| C15 | N18 | C19 | O21 | 179.9° | 180.0° |
| N18 | C15 | C14 | H141 | 58.5° | 57.9° |
| N18 | C15 | C14 | H1 | 58.6° | 57.8° |
| N18 | C19 | C20 | O21 | 180.0° | 180.0° |
| N18 | C19 | C20 | C16 | 0.1° | 0.0° |
| N18 | C19 | C20 | C22 | 179.6° | 180.0° |
| C19 | C20 | C16 | C22 | 179.6° | 180.0° |
| C19 | C20 | C22 | C23 | 0.9° | 7.8° |
| C19 | C20 | C22 | H221 | 179.1° | 172.3° |
| C16 | C20 | C19 | O21 | 179.9° | 180.0° |
| C16 | C20 | C22 | C23 | 179.6° | 172.2° |
| C20 | C16 | C17 | H171 | 0.0° | 0.0° |
| C16 | C20 | C22 | H221 | 0.4° | 7.7° |
| O21 | C19 | C20 | C22 | 0.3° | 0.0° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 11.3° | 29.2° |
| C20 | C22 | C23 | C27 | 169.8° | 150.3° |
| C22 | C23 | N24 | C27 | 179.1° | 179.5° |
| C22 | C23 | N24 | C25 | 179.5° | 179.9° |
| C22 | C23 | C27 | C26 | 179.6° | 180.0° |
| C22 | C23 | C27 | C28 | 0.6° | 0.1° |
| C22 | C23 | N24 | H2 | 0.5° | 0.4° |
| C23 | N24 | C25 | H2 | 180.0° | 179.7° |
| C23 | N24 | C25 | C26 | 0.2° | 0.2° |
| N24 | C23 | C27 | C26 | 0.4° | 0.4° |
| N24 | C23 | C27 | C28 | 179.8° | 179.6° |
| C23 | N24 | C25 | C29 | 179.7° | 179.7° |
| N24 | C23 | C22 | H221 | 168.8° | 150.8° |
| N24 | C25 | C26 | C29 | 179.9° | 180.0° |
| N24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | N24 | C23 | C27 | 0.4° | 0.4° |
| N24 | C25 | C26 | N30 | 179.9° | 179.8° |
| N24 | C25 | C29 | H291 | 89.9° | 85.1° |
| N24 | C25 | C29 | H292 | 150.1° | 34.8° |
| N24 | C25 | C29 | H293 | 30.1° | 154.9° |
| C25 | C26 | C27 | N30 | 179.9° | 179.8° |
| C25 | C26 | C27 | C23 | 0.3° | 0.3° |
| C25 | C26 | C27 | C28 | 179.9° | 179.8° |
| C25 | C26 | N30 | C31 | 66.8° | 132.2° |
| C26 | C25 | C29 | H291 | 90.0° | 94.9° |
| C26 | C25 | C29 | H292 | 30.0° | 145.1° |
| C26 | C25 | C29 | H293 | 150.1° | 25.1° |
| C26 | C25 | N24 | H2 | 179.8° | 179.9° |
| C25 | C26 | N30 | H301 | 113.2° | 47.9° |
| C26 | C27 | C23 | C28 | 179.8° | 179.9° |
| C27 | C26 | C25 | C29 | 180.0° | 180.0° |
| C27 | C26 | N30 | C31 | 113.4° | 48.1° |
| C26 | C27 | C28 | H281 | 89.9° | 95.4° |
| C26 | C27 | C28 | H282 | 150.1° | 144.6° |
| C26 | C27 | C28 | H283 | 30.2° | 24.6° |
| C27 | C26 | N30 | H301 | 66.6° | 131.8° |
| C23 | C27 | C26 | N30 | 179.8° | 180.0° |
| C27 | C23 | C22 | H221 | 10.2° | 29.8° |
| C23 | C27 | C28 | H281 | 89.9° | 84.6° |
| C23 | C27 | C28 | H282 | 30.2° | 35.5° |
| C23 | C27 | C28 | H283 | 150.1° | 155.5° |
| C27 | C23 | N24 | H2 | 179.6° | 179.9° |
| C28 | C27 | C26 | N30 | 0.1° | 0.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C29 | C25 | C26 | N30 | 0.2° | 0.2° |
| C25 | C29 | H291 | H292 | 120.0° | 120.0° |
| C25 | C29 | H291 | H293 | 120.0° | 120.0° |
| C25 | C29 | H292 | H293 | 120.0° | 120.0° |
| C29 | C25 | N24 | H2 | 0.3° | 0.0° |
| C26 | N30 | C31 | H301 | 180.0° | 179.9° |
| C26 | N30 | C31 | C32 | 179.5° | 176.7° |
| C26 | N30 | C31 | O33 | 0.5° | 3.4° |
| N30 | C31 | C32 | O33 | 180.0° | 180.0° |
| N30 | C31 | C32 | C35 | 89.7° | 180.0° |
| N30 | C31 | C32 | C38 | 90.0° | 0.3° |
| C31 | C32 | C35 | C38 | 179.7° | 179.8° |
| C31 | C32 | C35 | C36 | 179.8° | 180.0° |
| C31 | C32 | C38 | O37 | 179.9° | 179.8° |
| C31 | C32 | C35 | H351 | 0.2° | 0.0° |
| C31 | C32 | C38 | H381 | 0.1° | 0.0° |
| C32 | C31 | N30 | H301 | 0.5° | 3.4° |
| O33 | C31 | C32 | C35 | 90.3° | 0.0° |
| O33 | C31 | C32 | C38 | 90.1° | 179.7° |
| O33 | C31 | N30 | H301 | 179.6° | 176.6° |
| F34 | C02 | C01 | H011 | 0.0° | 0.1° |
| F34 | C02 | C03 | H031 | 0.0° | 0.0° |
| C32 | C35 | C36 | H351 | 180.0° | 179.9° |
| C32 | C35 | C36 | O37 | 0.1° | 0.0° |
| C35 | C32 | C38 | O37 | 0.1° | 0.4° |
| C32 | C35 | C36 | H361 | 180.0° | 180.0° |
| C35 | C32 | C38 | H381 | 179.9° | 179.7° |
| C35 | C36 | O37 | H361 | 180.0° | 180.0° |
| C35 | C36 | O37 | C38 | 0.0° | 0.2° |
| C36 | C35 | C32 | C38 | 0.1° | 0.3° |
| C36 | O37 | C38 | C32 | 0.1° | 0.4° |
| O37 | C36 | C35 | H351 | 180.0° | 180.0° |
| C36 | O37 | C38 | H381 | 179.9° | 179.7° |
| O37 | C38 | C32 | H381 | 180.0° | 179.9° |
| C38 | O37 | C36 | H361 | 180.0° | 179.8° |
| C38 | C32 | C35 | H351 | 179.9° | 179.8° |
| H131 | C13 | C14 | H141 | 58.3° | 57.8° |
| H131 | C13 | C14 | H1 | 58.8° | 58.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H011 | C01 | C06 | H061 | 0.2° | 0.3° |
| H031 | C03 | C04 | H041 | 0.1° | 0.0° |
| H071 | C07 | C12 | H121 | 59.9° | 60.0° |
| H071 | C07 | C12 | H123 | 60.1° | 60.1° |
| H071 | C07 | C12 | H122 | 179.9° | 179.9° |
| H071 | C07 | N08 | H081 | 140.2° | 145.0° |
| H121 | C12 | H123 | H122 | 119.9° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H351 | C35 | C36 | H361 | 0.0° | 0.0° |
