A1AQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | 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 | 1.46Å | 1.45Å | |
| N08 | C09 | sing | 1.35Å | 1.45Å | |
| C09 | C10 | sing | 1.48Å | 1.53Å | |
| C09 | O11 | doub | 1.22Å | 1.19Å | |
| C07 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C13 | doub | 1.35Å | 1.40Å | |
| C13 | C14 | sing | 1.51Å | 1.40Å | |
| C14 | C15 | sing | 1.51Å | 1.42Å | |
| C15 | C16 | sing | 1.42Å | 1.36Å | |
| C16 | C17 | doub | 1.37Å | 1.41Å | |
| C17 | C10 | sing | 1.46Å | 1.39Å | |
| C15 | N18 | doub | 1.31Å | 1.37Å | |
| N18 | C19 | sing | 1.34Å | 1.34Å | |
| C19 | C20 | sing | 1.48Å | 1.39Å | |
| C20 | C16 | sing | 1.48Å | 1.41Å | |
| C19 | O21 | doub | 1.22Å | 1.18Å | |
| C20 | C22 | doub | 1.38Å | 1.32Å | |
| C22 | C23 | sing | 1.41Å | 1.52Å | |
| C23 | N24 | sing | 1.38Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.36Å | 1.31Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.37Å | Aromatic |
| C27 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C26 | N30 | sing | 1.40Å | 1.44Å | |
| N30 | C31 | sing | 1.35Å | 1.44Å | |
| C31 | C32 | sing | 1.49Å | 1.52Å | |
| C31 | O33 | doub | 1.21Å | 1.19Å | |
| C32 | C34 | sing | 1.47Å | 1.53Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | O36 | doub | 1.21Å | 1.18Å | |
| C35 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C34 | sing | 1.40Å | 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 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | 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 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | 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 | 120.1° | 120.0° |
| C02 | C01 | C06 | 120.0° | 120.0° |
| C02 | C01 | H011 | 120.0° | 120.1° |
| C01 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | C04 | 119.9° | 120.0° |
| C03 | C02 | H021 | 120.0° | 120.0° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C04 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | C06 | 120.1° | 120.0° |
| C04 | C05 | C07 | 119.9° | 120.0° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C05 | C06 | C01 | 120.0° | 120.0° |
| C06 | C05 | C07 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.0° | 120.0° |
| C06 | C01 | H011 | 120.0° | 120.0° |
| C01 | C06 | H061 | 120.0° | 120.0° |
| C05 | C07 | N08 | 109.7° | 109.5° |
| C05 | C07 | C12 | 108.6° | 109.4° |
| C05 | C07 | H071 | 109.3° | 109.5° |
| C07 | N08 | C09 | 121.2° | 120.0° |
| N08 | C07 | C12 | 109.5° | 109.5° |
| N08 | C07 | H071 | 110.4° | 109.5° |
| C07 | N08 | H081 | 119.4° | 120.1° |
| N08 | C09 | C10 | 118.8° | 120.0° |
| N08 | C09 | O11 | 121.1° | 120.0° |
| C09 | N08 | H081 | 119.4° | 119.9° |
| C10 | C09 | O11 | 120.1° | 120.0° |
| C09 | C10 | C13 | 122.0° | 119.4° |
| C09 | C10 | C17 | 118.0° | 119.4° |
| C12 | C07 | H071 | 109.3° | 109.5° |
| C07 | C12 | H123 | 109.5° | 109.4° |
| C07 | C12 | H122 | 109.5° | 109.5° |
| C07 | C12 | H121 | 109.5° | 109.5° |
| C10 | C13 | C14 | 120.0° | 119.3° |
| C13 | C10 | C17 | 120.1° | 121.2° |
| C10 | C13 | H131 | 120.0° | 120.4° |
| C13 | C14 | C15 | 119.6° | 117.9° |
| C14 | C13 | H131 | 120.0° | 120.3° |
| C13 | C14 | H141 | 106.9° | 107.7° |
| C13 | C14 | H1 | 106.9° | 107.8° |
| C14 | C15 | C16 | 119.9° | 118.0° |
| C14 | C15 | N18 | 131.6° | 131.7° |
| C15 | C14 | H141 | 106.9° | 107.7° |
| C15 | C14 | H1 | 106.9° | 107.7° |
| C15 | C16 | C17 | 120.8° | 121.4° |
| C16 | C15 | N18 | 108.5° | 110.2° |
| C15 | C16 | C20 | 107.0° | 105.4° |
| C16 | C17 | C10 | 119.7° | 122.2° |
| C17 | C16 | C20 | 132.2° | 133.2° |
| C16 | C17 | H171 | 120.1° | 118.9° |
| C10 | C17 | H171 | 120.1° | 118.9° |
| C15 | N18 | C19 | 109.6° | 113.1° |
| N18 | C19 | C20 | 107.9° | 107.6° |
| N18 | C19 | O21 | 125.3° | 126.2° |
| C19 | C20 | C16 | 107.1° | 103.7° |
| C20 | C19 | O21 | 126.8° | 126.2° |
| C19 | C20 | C22 | 130.6° | 128.1° |
| C16 | C20 | C22 | 122.4° | 128.2° |
| C20 | C22 | C23 | 125.0° | 120.0° |
| C20 | C22 | H221 | 117.5° | 120.0° |
| C22 | C23 | N24 | 128.4° | 126.3° |
| C22 | C23 | C27 | 123.0° | 126.2° |
| C23 | C22 | H221 | 117.5° | 120.0° |
| C23 | N24 | C25 | 109.7° | 108.7° |
| N24 | C23 | C27 | 108.6° | 107.5° |
| C23 | N24 | H2 | 125.1° | 125.7° |
| N24 | C25 | C26 | 109.2° | 108.8° |
| N24 | C25 | C29 | 126.9° | 125.6° |
| C25 | N24 | H2 | 125.1° | 125.6° |
| C25 | C26 | C27 | 106.2° | 107.8° |
| C26 | C25 | C29 | 123.9° | 125.6° |
| C25 | C26 | N30 | 122.7° | 126.1° |
| C26 | C27 | C23 | 106.3° | 107.0° |
| C26 | C27 | C28 | 126.8° | 126.5° |
| C27 | C26 | N30 | 131.0° | 126.1° |
| C23 | C27 | C28 | 126.9° | 126.5° |
| C27 | C28 | H281 | 109.5° | 109.4° |
| C27 | C28 | H283 | 109.5° | 109.4° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C25 | C29 | H291 | 109.5° | 109.5° |
| C25 | C29 | H293 | 109.4° | 109.5° |
| C25 | C29 | H292 | 109.5° | 109.5° |
| C26 | N30 | C31 | 118.9° | 119.9° |
| C26 | N30 | H301 | 120.6° | 120.0° |
| N30 | C31 | C32 | 118.3° | 119.9° |
| N30 | C31 | O33 | 120.9° | 120.0° |
| C31 | N30 | H301 | 120.6° | 120.0° |
| C32 | C31 | O33 | 120.8° | 120.1° |
| C31 | C32 | C34 | 115.2° | 119.9° |
| C31 | C32 | O36 | 122.0° | 120.0° |
| C32 | C34 | C35 | 120.4° | 120.2° |
| C34 | C32 | O36 | 122.8° | 120.0° |
| C32 | C34 | C40 | 119.8° | 120.2° |
| C34 | C35 | C37 | 120.0° | 119.9° |
| C35 | C34 | C40 | 119.8° | 119.6° |
| C34 | C35 | H351 | 120.0° | 120.0° |
| C35 | C37 | C38 | 120.2° | 120.1° |
| C37 | C35 | H351 | 120.0° | 120.1° |
| C35 | C37 | H371 | 119.9° | 120.0° |
| C37 | C38 | C39 | 120.0° | 120.4° |
| C38 | C37 | H371 | 119.9° | 119.9° |
| C37 | C38 | H381 | 120.0° | 119.8° |
| C38 | C39 | C40 | 119.9° | 120.2° |
| C39 | C38 | H381 | 120.0° | 119.8° |
| C38 | C39 | H391 | 120.1° | 119.9° |
| C39 | C40 | C34 | 120.2° | 119.8° |
| C40 | C39 | H391 | 120.0° | 119.9° |
| C39 | C40 | H401 | 119.9° | 120.1° |
| C34 | C40 | H401 | 119.9° | 120.1° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H141 | C14 | H1 | 109.5° | 107.5° |
| H291 | C29 | H293 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.6° |
| C02 | C01 | C06 | H011 | 180.0° | 179.7° |
| C01 | C02 | C03 | H031 | 180.0° | 180.0° |
| C02 | C01 | C06 | H061 | 179.9° | 179.9° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C03 | C02 | C01 | H011 | 180.0° | 180.0° |
| C02 | C03 | C04 | H041 | 179.9° | 179.9° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.3° |
| C03 | C04 | C05 | C07 | 179.9° | 179.9° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.9° | 179.8° |
| C04 | C05 | C06 | C01 | 0.2° | 0.6° |
| C04 | C05 | C07 | N08 | 53.7° | 140.0° |
| C04 | C05 | C07 | C12 | 66.0° | 100.0° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 179.8° | 179.9° |
| C04 | C05 | C07 | H071 | 174.8° | 20.0° |
| C05 | C06 | C01 | H061 | 180.0° | 179.4° |
| C06 | C05 | C07 | N08 | 126.4° | 40.2° |
| C06 | C05 | C07 | C12 | 113.8° | 79.7° |
| C05 | C06 | C01 | H011 | 179.9° | 179.7° |
| C06 | C05 | C04 | H041 | 179.8° | 179.8° |
| C06 | C05 | C07 | H071 | 5.3° | 160.3° |
| C01 | C06 | C05 | C07 | 179.9° | 179.7° |
| C06 | C01 | C02 | H021 | 180.0° | 179.7° |
| C05 | C07 | N08 | C12 | 119.1° | 119.9° |
| C05 | C07 | N08 | H071 | 120.5° | 120.0° |
| C05 | C07 | N08 | C09 | 120.0° | 155.0° |
| C05 | C07 | C12 | H071 | 119.1° | 120.0° |
| C07 | C05 | C04 | H041 | 0.1° | 0.0° |
| C07 | C05 | C06 | H061 | 0.1° | 0.3° |
| C05 | C07 | C12 | H123 | 180.0° | 180.0° |
| C05 | C07 | C12 | H122 | 60.0° | 60.0° |
| C05 | C07 | C12 | H121 | 60.0° | 60.0° |
| C05 | C07 | N08 | H081 | 60.0° | 24.9° |
| C07 | N08 | C09 | H081 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.9° | 179.9° |
| C07 | N08 | C09 | O11 | 0.7° | 0.0° |
| N08 | C07 | C12 | H071 | 121.0° | 120.1° |
| N08 | C07 | C12 | H123 | 60.2° | 60.0° |
| N08 | C07 | C12 | H122 | 179.8° | 180.0° |
| N08 | C07 | C12 | H121 | 59.8° | 59.9° |
| N08 | C09 | C10 | O11 | 179.2° | 180.0° |
| C09 | N08 | C07 | C12 | 120.9° | 85.0° |
| N08 | C09 | C10 | C13 | 144.6° | 180.0° |
| N08 | C09 | C10 | C17 | 35.5° | 0.3° |
| C09 | N08 | C07 | H071 | 0.5° | 35.0° |
| C09 | C10 | C13 | C17 | 179.9° | 179.6° |
| C09 | C10 | C13 | C14 | 179.9° | 179.7° |
| C09 | C10 | C17 | C16 | 180.0° | 179.7° |
| C09 | C10 | C13 | H131 | 0.1° | 0.4° |
| C09 | C10 | C17 | H171 | 0.0° | 0.3° |
| C10 | C09 | N08 | H081 | 0.1° | 0.0° |
| O11 | C09 | C10 | C13 | 36.3° | 0.1° |
| O11 | C09 | C10 | C17 | 143.6° | 179.7° |
| O11 | C09 | N08 | H081 | 179.3° | 180.0° |
| C07 | C12 | H123 | H122 | 120.0° | 120.0° |
| C07 | C12 | H123 | H121 | 120.0° | 120.0° |
| C07 | C12 | H122 | H121 | 120.0° | 120.1° |
| C12 | C07 | N08 | H081 | 59.1° | 95.0° |
| C10 | C13 | C14 | H131 | 180.0° | 179.9° |
| C10 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C10 | C17 | C16 | 0.1° | 0.0° |
| C13 | C10 | C17 | H171 | 179.9° | 179.9° |
| C10 | C13 | C14 | H141 | 121.3° | 122.1° |
| C10 | C13 | C14 | H1 | 121.5° | 122.1° |
| C13 | C14 | C15 | H141 | 121.4° | 122.1° |
| C13 | C14 | C15 | H1 | 121.4° | 122.2° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C10 | C17 | 0.1° | 0.0° |
| C13 | C14 | C15 | N18 | 180.0° | 180.0° |
| C13 | C14 | H141 | H1 | 115.5° | 115.9° |
| C14 | C15 | C16 | N18 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.1° |
| C14 | C15 | N18 | C19 | 180.0° | 179.9° |
| C14 | C15 | C16 | C20 | 179.9° | 180.0° |
| C15 | C14 | C13 | H131 | 179.9° | 179.9° |
| C15 | C14 | H141 | H1 | 115.4° | 115.9° |
| C15 | C16 | C17 | C20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C10 | 0.0° | 0.0° |
| C16 | C15 | N18 | C19 | 0.0° | 0.0° |
| C15 | C16 | C20 | C19 | 0.1° | 0.0° |
| C15 | C16 | C20 | C22 | 179.9° | 180.0° |
| C15 | C16 | C17 | H171 | 179.9° | 180.0° |
| C16 | C15 | C14 | H141 | 121.4° | 122.1° |
| C16 | C15 | C14 | H1 | 121.5° | 122.1° |
| C16 | C17 | C10 | H171 | 180.0° | 179.9° |
| C17 | C16 | C15 | N18 | 180.0° | 180.0° |
| C17 | C16 | C20 | C19 | 180.0° | 180.0° |
| C17 | C16 | C20 | C22 | 0.0° | 0.0° |
| C10 | C17 | C16 | C20 | 179.9° | 180.0° |
| C17 | C10 | C13 | H131 | 179.8° | 180.0° |
| C15 | N18 | C19 | C20 | 0.1° | 0.0° |
| N18 | C15 | C16 | C20 | 0.0° | 0.0° |
| C15 | N18 | C19 | O21 | 180.0° | 180.0° |
| N18 | C15 | C14 | H141 | 58.6° | 57.9° |
| N18 | C15 | C14 | H1 | 58.6° | 57.8° |
| N18 | C19 | C20 | O21 | 180.0° | 179.9° |
| N18 | C19 | C20 | C16 | 0.1° | 0.0° |
| N18 | C19 | C20 | C22 | 179.9° | 180.0° |
| C19 | C20 | C16 | C22 | 180.0° | 180.0° |
| C19 | C20 | C22 | C23 | 0.6° | 8.0° |
| C19 | C20 | C22 | H221 | 179.4° | 172.0° |
| C16 | C20 | C19 | O21 | 180.0° | 180.0° |
| C16 | C20 | C22 | C23 | 179.4° | 172.0° |
| C20 | C16 | C17 | H171 | 0.1° | 0.1° |
| C16 | C20 | C22 | H221 | 0.6° | 8.1° |
| O21 | C19 | C20 | C22 | 0.1° | 0.0° |
| C20 | C22 | C23 | H221 | 180.0° | 180.0° |
| C20 | C22 | C23 | N24 | 12.8° | 29.0° |
| C20 | C22 | C23 | C27 | 166.0° | 150.6° |
| C22 | C23 | N24 | C27 | 179.0° | 179.7° |
| C22 | C23 | N24 | C25 | 179.6° | 180.0° |
| C22 | C23 | C27 | C26 | 179.9° | 179.9° |
| C22 | C23 | C27 | C28 | 0.8° | 0.0° |
| C22 | C23 | N24 | H2 | 0.5° | 0.3° |
| C23 | N24 | C25 | H2 | 180.0° | 179.6° |
| C23 | N24 | C25 | C26 | 0.0° | 0.2° |
| N24 | C23 | C27 | C26 | 0.9° | 0.4° |
| N24 | C23 | C27 | C28 | 179.8° | 179.6° |
| C23 | N24 | C25 | C29 | 179.8° | 179.8° |
| N24 | C23 | C22 | H221 | 167.2° | 151.0° |
| N24 | C25 | C26 | C29 | 179.8° | 179.9° |
| N24 | C25 | C26 | C27 | 0.5° | 0.1° |
| C25 | N24 | C23 | C27 | 0.6° | 0.4° |
| N24 | C25 | C26 | N30 | 179.4° | 179.7° |
| N24 | C25 | C29 | H291 | 90.1° | 85.1° |
| N24 | C25 | C29 | H293 | 149.9° | 34.9° |
| N24 | C25 | C29 | H292 | 29.9° | 154.8° |
| C25 | C26 | C27 | N30 | 178.7° | 179.6° |
| C25 | C26 | C27 | C23 | 0.9° | 0.3° |
| C25 | C26 | C27 | C28 | 179.8° | 179.7° |
| C25 | C26 | N30 | C31 | 104.2° | 132.0° |
| C26 | C25 | C29 | H291 | 90.1° | 95.0° |
| C26 | C25 | C29 | H293 | 29.9° | 145.1° |
| C26 | C25 | C29 | H292 | 149.9° | 25.1° |
| C26 | C25 | N24 | H2 | 180.0° | 179.8° |
| C25 | C26 | N30 | H301 | 75.7° | 48.0° |
| C26 | C27 | C23 | C28 | 179.3° | 180.0° |
| C27 | C26 | C25 | C29 | 179.6° | 180.0° |
| C27 | C26 | N30 | C31 | 74.3° | 48.4° |
| C26 | C27 | C28 | H281 | 90.4° | 95.6° |
| C26 | C27 | C28 | H283 | 149.5° | 144.4° |
| C26 | C27 | C28 | H282 | 29.6° | 24.4° |
| C27 | C26 | N30 | H301 | 105.7° | 131.5° |
| C23 | C27 | C26 | N30 | 179.6° | 179.9° |
| C27 | C23 | C22 | H221 | 14.0° | 29.4° |
| C23 | C27 | C28 | H281 | 90.4° | 84.3° |
| C23 | C27 | C28 | H283 | 29.6° | 35.6° |
| C23 | C27 | C28 | H282 | 149.6° | 155.6° |
| C27 | C23 | N24 | H2 | 179.4° | 180.0° |
| C28 | C27 | C26 | N30 | 1.1° | 0.1° |
| C27 | C28 | H281 | H283 | 120.0° | 119.9° |
| C27 | C28 | H281 | H282 | 120.0° | 120.1° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C29 | C25 | C26 | N30 | 0.8° | 0.4° |
| C25 | C29 | H291 | H293 | 120.0° | 120.0° |
| C25 | C29 | H291 | H292 | 120.0° | 120.1° |
| C25 | C29 | H293 | H292 | 120.0° | 120.0° |
| C29 | C25 | N24 | H2 | 0.2° | 0.1° |
| C26 | N30 | C31 | H301 | 180.0° | 180.0° |
| C26 | N30 | C31 | C32 | 177.1° | 176.6° |
| C26 | N30 | C31 | O33 | 1.5° | 3.4° |
| N30 | C31 | C32 | O33 | 178.6° | 180.0° |
| N30 | C31 | C32 | C34 | 84.1° | 174.4° |
| N30 | C31 | C32 | O36 | 95.8° | 5.6° |
| C31 | C32 | C34 | O36 | 179.9° | 179.9° |
| C31 | C32 | C34 | C35 | 104.2° | 173.9° |
| C31 | C32 | C34 | C40 | 74.1° | 5.9° |
| C32 | C31 | N30 | H301 | 2.9° | 3.4° |
| O33 | C31 | C32 | C34 | 94.5° | 5.6° |
| O33 | C31 | C32 | O36 | 85.6° | 174.4° |
| O33 | C31 | N30 | H301 | 178.5° | 176.6° |
| C32 | C34 | C35 | C40 | 178.3° | 179.8° |
| C32 | C34 | C35 | C37 | 179.4° | 180.0° |
| C32 | C34 | C40 | C39 | 179.4° | 179.7° |
| C32 | C34 | C35 | H351 | 0.5° | 0.0° |
| C32 | C34 | C40 | H401 | 0.6° | 0.2° |
| C35 | C34 | C32 | O36 | 75.9° | 6.1° |
| C34 | C35 | C37 | H351 | 180.0° | 180.0° |
| C34 | C35 | C37 | C38 | 0.7° | 0.0° |
| C35 | C34 | C40 | C39 | 1.1° | 0.5° |
| C34 | C35 | C37 | H371 | 179.3° | 180.0° |
| C35 | C34 | C40 | H401 | 178.9° | 180.0° |
| O36 | C32 | C34 | C40 | 105.8° | 174.2° |
| C35 | C37 | C38 | H371 | 180.0° | 180.0° |
| C35 | C37 | C38 | C39 | 0.1° | 0.0° |
| C37 | C35 | C34 | C40 | 1.1° | 0.3° |
| C35 | C37 | C38 | H381 | 179.8° | 180.0° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.3° |
| C38 | C37 | C35 | H351 | 179.3° | 180.0° |
| C37 | C38 | C39 | H391 | 179.9° | 179.9° |
| C38 | C39 | C40 | H391 | 180.0° | 179.8° |
| C38 | C39 | C40 | C34 | 0.6° | 0.5° |
| C39 | C38 | C37 | H371 | 179.8° | 180.0° |
| C38 | C39 | C40 | H401 | 179.4° | 180.0° |
| C39 | C40 | C34 | H401 | 180.0° | 179.5° |
| C40 | C39 | C38 | H381 | 179.9° | 179.8° |
| C40 | C34 | C35 | H351 | 178.9° | 179.8° |
| C34 | C40 | C39 | H391 | 179.4° | 179.7° |
| H131 | C13 | C14 | H141 | 58.7° | 57.9° |
| H131 | C13 | C14 | H1 | 58.5° | 57.9° |
| H281 | C28 | H283 | H282 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 0.0° | 0.0° |
| H011 | C01 | C06 | H061 | 0.1° | 0.3° |
| H021 | C02 | C03 | H031 | 0.0° | 0.0° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H071 | C07 | C12 | H123 | 60.9° | 60.1° |
| H071 | C07 | C12 | H122 | 59.2° | 59.9° |
| H071 | C07 | C12 | H121 | 179.1° | 180.0° |
| H071 | C07 | N08 | H081 | 179.5° | 145.0° |
| H123 | C12 | H122 | H121 | 120.0° | 119.9° |
| H291 | C29 | H293 | H292 | 120.0° | 120.0° |
| H351 | C35 | C37 | H371 | 0.7° | 0.0° |
| H371 | C37 | C38 | H381 | 0.2° | 0.0° |
| H381 | C38 | C39 | H391 | 0.1° | 0.0° |
| H391 | C39 | C40 | H401 | 0.6° | 0.2° |
