A1BWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.41Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | C07 | sing | 1.47Å | 1.50Å | |
| C02 | N03 | sing | 1.31Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | C11 | sing | 1.47Å | 1.49Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | N10 | sing | 1.39Å | 1.41Å | |
| C07 | N08 | sing | 1.35Å | 1.37Å | |
| C07 | O09 | doub | 1.22Å | 1.23Å | |
| N08 | C13 | sing | 1.46Å | 1.48Å | |
| N10 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | N23 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C30 | sing | 1.53Å | 1.54Å | |
| C12 | C34 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | F19 | sing | 1.40Å | 1.34Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.54Å | |
| C15 | O18 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| N23 | N27 | sing | 1.40Å | 1.36Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.38Å | Aromatic |
| C25 | C28 | sing | 1.43Å | 1.45Å | |
| C26 | N27 | doub | 1.30Å | 1.35Å | Aromatic |
| C28 | N29 | trip | 1.14Å | 1.15Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C35 | sing | 1.51Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | doub | 1.35Å | 1.39Å | Aromatic |
| C35 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | N37 | sing | 1.35Å | 1.37Å | Aromatic |
| N37 | N38 | sing | 1.40Å | 1.34Å | Aromatic |
| N37 | C40 | sing | 1.46Å | 1.46Å | |
| N38 | C39 | doub | 1.31Å | 1.33Å | Aromatic |
| C40 | F41 | sing | 1.40Å | 1.33Å | |
| C40 | F42 | sing | 1.40Å | 1.33Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 118.6° | 119.0° |
| C02 | C01 | C07 | 119.1° | 120.5° |
| C01 | C02 | N03 | 124.7° | 120.8° |
| C01 | C02 | H021 | 117.6° | 119.6° |
| C06 | C01 | C07 | 122.2° | 120.5° |
| C01 | C06 | C05 | 116.9° | 118.3° |
| C01 | C06 | N10 | 120.1° | 120.9° |
| C01 | C07 | N08 | 115.3° | 120.0° |
| C01 | C07 | O09 | 122.1° | 120.0° |
| C02 | N03 | C04 | 116.3° | 122.0° |
| N03 | C02 | H021 | 117.7° | 119.6° |
| N03 | C04 | C05 | 122.7° | 120.9° |
| N03 | C04 | C11 | 119.2° | 119.5° |
| C05 | C04 | C11 | 117.4° | 119.6° |
| C04 | C05 | C06 | 120.6° | 119.1° |
| C04 | C05 | H051 | 119.7° | 120.5° |
| C04 | C11 | C20 | 125.6° | 125.8° |
| C04 | C11 | N23 | 127.0° | 125.7° |
| C05 | C06 | N10 | 123.0° | 120.8° |
| C06 | C05 | H051 | 119.7° | 120.5° |
| C06 | N10 | C12 | 122.3° | 120.0° |
| C06 | N10 | H101 | 106.2° | 120.0° |
| N08 | C07 | O09 | 122.6° | 120.0° |
| C07 | N08 | C13 | 124.1° | 120.0° |
| C07 | N08 | H081 | 118.0° | 120.0° |
| N08 | C13 | C14 | 116.1° | 109.5° |
| N08 | C13 | H131 | 107.8° | 109.5° |
| N08 | C13 | H132 | 107.8° | 109.5° |
| C13 | N08 | H081 | 117.9° | 120.0° |
| N10 | C12 | C30 | 109.0° | 109.5° |
| N10 | C12 | C34 | 109.1° | 109.4° |
| N10 | C12 | H121 | 110.0° | 109.4° |
| C12 | N10 | H101 | 106.2° | 120.0° |
| C20 | C11 | N23 | 106.9° | 108.5° |
| C11 | C20 | C21 | 110.6° | 107.8° |
| C11 | C20 | H201 | 124.7° | 126.1° |
| C11 | N23 | C22 | 108.6° | 108.3° |
| C11 | N23 | N27 | 126.0° | 131.8° |
| C30 | C12 | C34 | 110.4° | 109.5° |
| C12 | C30 | C31 | 107.8° | 109.5° |
| C30 | C12 | H121 | 109.2° | 109.5° |
| C12 | C30 | H302 | 109.9° | 109.5° |
| C12 | C30 | H301 | 109.9° | 109.5° |
| C12 | C34 | C33 | 110.9° | 109.5° |
| C34 | C12 | H121 | 109.1° | 109.5° |
| C12 | C34 | H341 | 109.1° | 109.4° |
| C12 | C34 | H342 | 109.1° | 109.4° |
| C13 | C14 | C15 | 113.7° | 109.5° |
| C13 | C14 | F19 | 109.9° | 109.5° |
| C14 | C13 | H131 | 107.8° | 109.4° |
| C14 | C13 | H132 | 107.8° | 109.4° |
| C13 | C14 | H141 | 107.3° | 109.4° |
| C15 | C14 | F19 | 108.6° | 109.5° |
| C14 | C15 | C16 | 111.8° | 109.4° |
| C14 | C15 | C17 | 108.2° | 109.5° |
| C14 | C15 | O18 | 108.0° | 109.5° |
| C15 | C14 | H141 | 107.3° | 109.5° |
| F19 | C14 | H141 | 110.1° | 109.5° |
| C16 | C15 | C17 | 111.7° | 109.5° |
| C16 | C15 | O18 | 109.3° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.4° |
| C15 | C16 | H161 | 109.4° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C17 | C15 | O18 | 107.8° | 109.5° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.5° | 109.4° |
| C15 | C17 | H173 | 109.5° | 109.4° |
| C15 | O18 | H181 | 109.5° | 114.0° |
| C20 | C21 | C22 | 106.0° | 107.4° |
| C21 | C20 | H201 | 124.7° | 126.1° |
| C20 | C21 | H211 | 127.0° | 126.3° |
| C21 | C22 | N23 | 107.8° | 108.1° |
| C21 | C22 | C24 | 135.1° | 132.4° |
| C22 | C21 | H211 | 127.0° | 126.3° |
| N23 | C22 | C24 | 117.1° | 119.6° |
| C22 | N23 | N27 | 125.4° | 120.0° |
| C22 | C24 | C25 | 118.4° | 118.9° |
| C22 | C24 | H241 | 120.8° | 120.6° |
| N23 | N27 | C26 | 115.5° | 121.2° |
| C24 | C25 | C26 | 120.0° | 119.6° |
| C24 | C25 | C28 | 121.4° | 120.2° |
| C25 | C24 | H241 | 120.8° | 120.6° |
| C26 | C25 | C28 | 118.6° | 120.2° |
| C25 | C26 | N27 | 123.6° | 120.9° |
| C25 | C26 | H261 | 118.2° | 119.6° |
| C25 | C28 | N29 | 177.5° | 179.9° |
| N27 | C26 | H261 | 118.2° | 119.6° |
| C30 | C31 | C32 | 111.1° | 109.5° |
| C31 | C30 | H302 | 109.9° | 109.5° |
| C31 | C30 | H301 | 109.9° | 109.5° |
| C30 | C31 | H311 | 109.1° | 109.5° |
| C30 | C31 | H312 | 109.1° | 109.5° |
| C31 | C32 | C33 | 112.4° | 109.4° |
| C31 | C32 | C35 | 109.6° | 109.5° |
| C32 | C31 | H311 | 109.0° | 109.5° |
| C32 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | H321 | 107.5° | 109.5° |
| C33 | C32 | C35 | 112.0° | 109.5° |
| C32 | C33 | C34 | 111.4° | 109.5° |
| C33 | C32 | H321 | 107.4° | 109.5° |
| C32 | C33 | H332 | 109.0° | 109.5° |
| C32 | C33 | H331 | 109.0° | 109.5° |
| C32 | C35 | C36 | 124.8° | 126.0° |
| C32 | C35 | C39 | 130.6° | 126.1° |
| C35 | C32 | H321 | 107.7° | 109.5° |
| C34 | C33 | H332 | 109.0° | 109.5° |
| C34 | C33 | H331 | 109.0° | 109.5° |
| C33 | C34 | H341 | 109.1° | 109.5° |
| C33 | C34 | H342 | 109.1° | 109.5° |
| C36 | C35 | C39 | 104.6° | 107.9° |
| C35 | C36 | N37 | 104.9° | 107.8° |
| C35 | C36 | H361 | 127.5° | 126.1° |
| C35 | C39 | N38 | 112.5° | 108.2° |
| C35 | C39 | H391 | 123.7° | 125.8° |
| C36 | N37 | N38 | 114.2° | 107.9° |
| C36 | N37 | C40 | 126.3° | 126.1° |
| N37 | C36 | H361 | 127.5° | 126.1° |
| N38 | N37 | C40 | 119.5° | 126.0° |
| N37 | N38 | C39 | 103.7° | 108.2° |
| N37 | C40 | F41 | 106.2° | 109.5° |
| N37 | C40 | F42 | 104.9° | 109.4° |
| N37 | C40 | H401 | 110.1° | 109.5° |
| N38 | C39 | H391 | 123.7° | 125.9° |
| F41 | C40 | F42 | 111.0° | 109.5° |
| F41 | C40 | H401 | 112.1° | 109.5° |
| F42 | C40 | H401 | 112.1° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.6° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.4° | 109.5° |
| H341 | C34 | H342 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C07 | 177.2° | 179.7° |
| C01 | C02 | N03 | H021 | 180.0° | 180.0° |
| C01 | C02 | N03 | C04 | 2.6° | 0.0° |
| C02 | C01 | C06 | C05 | 2.4° | 0.0° |
| C02 | C01 | C06 | N10 | 179.1° | 180.0° |
| C02 | C01 | C07 | N08 | 20.4° | 5.8° |
| C02 | C01 | C07 | O09 | 159.1° | 174.2° |
| C06 | C01 | C02 | N03 | 1.6° | 0.0° |
| C01 | C06 | C05 | C04 | 4.4° | 0.1° |
| C01 | C06 | C05 | N10 | 178.5° | 180.0° |
| C06 | C01 | C07 | N08 | 162.5° | 174.0° |
| C06 | C01 | C07 | O09 | 18.1° | 6.0° |
| C01 | C06 | N10 | C12 | 174.4° | 174.7° |
| C06 | C01 | C02 | H021 | 178.4° | 180.0° |
| C01 | C06 | C05 | H051 | 175.5° | 180.0° |
| C01 | C06 | N10 | H101 | 63.8° | 5.3° |
| C07 | C01 | C02 | N03 | 178.8° | 179.8° |
| C07 | C01 | C06 | C05 | 179.5° | 179.7° |
| C07 | C01 | C06 | N10 | 1.9° | 0.3° |
| C01 | C07 | N08 | O09 | 179.5° | 180.0° |
| C01 | C07 | N08 | C13 | 176.9° | 180.0° |
| C07 | C01 | C02 | H021 | 1.2° | 0.3° |
| C01 | C07 | N08 | H081 | 3.2° | 0.0° |
| C02 | N03 | C04 | C05 | 4.7° | 0.0° |
| C02 | N03 | C04 | C11 | 174.8° | 180.0° |
| N03 | C04 | C05 | C11 | 170.3° | 179.9° |
| N03 | C04 | C05 | C06 | 5.8° | 0.1° |
| N03 | C04 | C11 | C20 | 18.9° | 0.1° |
| N03 | C04 | C11 | N23 | 170.0° | 179.5° |
| C04 | N03 | C02 | H021 | 177.4° | 180.0° |
| N03 | C04 | C05 | H051 | 174.1° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | N10 | 177.1° | 180.0° |
| C05 | C04 | C11 | C20 | 151.7° | 180.0° |
| C05 | C04 | C11 | N23 | 19.4° | 0.5° |
| C11 | C04 | C05 | C06 | 176.1° | 180.0° |
| C04 | C11 | C20 | N23 | 172.6° | 179.6° |
| C04 | C11 | C20 | C21 | 174.8° | 179.9° |
| C04 | C11 | N23 | C22 | 174.8° | 180.0° |
| C04 | C11 | N23 | N27 | 6.3° | 0.4° |
| C04 | C11 | C20 | H201 | 5.2° | 0.3° |
| C11 | C04 | C05 | H051 | 3.9° | 0.1° |
| C05 | C06 | N10 | C12 | 4.0° | 5.3° |
| C05 | C06 | N10 | H101 | 117.8° | 174.7° |
| C06 | N10 | C12 | H101 | 121.8° | 180.0° |
| C06 | N10 | C12 | C30 | 152.6° | 155.0° |
| C06 | N10 | C12 | C34 | 86.8° | 85.0° |
| N10 | C06 | C05 | H051 | 2.9° | 0.0° |
| C06 | N10 | C12 | H121 | 33.0° | 34.9° |
| C07 | N08 | C13 | H081 | 180.0° | 180.0° |
| C07 | N08 | C13 | C14 | 87.3° | 180.0° |
| C07 | N08 | C13 | H131 | 33.6° | 60.0° |
| C07 | N08 | C13 | H132 | 151.7° | 60.0° |
| O09 | C07 | N08 | C13 | 2.6° | 0.0° |
| O09 | C07 | N08 | H081 | 177.4° | 180.0° |
| N08 | C13 | C14 | H131 | 120.9° | 120.1° |
| N08 | C13 | C14 | H132 | 121.0° | 120.0° |
| N08 | C13 | C14 | C15 | 177.8° | 180.0° |
| N08 | C13 | C14 | F19 | 55.9° | 60.0° |
| N08 | C13 | H131 | H132 | 117.0° | 120.0° |
| N08 | C13 | C14 | H141 | 63.7° | 60.0° |
| N10 | C12 | C30 | C34 | 119.8° | 120.0° |
| N10 | C12 | C30 | H121 | 120.2° | 120.0° |
| N10 | C12 | C34 | H121 | 120.2° | 119.9° |
| N10 | C12 | C30 | C31 | 178.2° | 180.0° |
| N10 | C12 | C34 | C33 | 178.7° | 180.0° |
| N10 | C12 | C30 | H302 | 62.0° | 60.0° |
| N10 | C12 | C30 | H301 | 58.5° | 60.0° |
| N10 | C12 | C34 | H341 | 61.0° | 60.0° |
| N10 | C12 | C34 | H342 | 58.5° | 60.0° |
| C11 | C20 | C21 | H201 | 180.0° | 179.8° |
| C11 | C20 | C21 | C22 | 1.1° | 0.2° |
| C20 | C11 | N23 | C22 | 2.3° | 0.4° |
| C20 | C11 | N23 | N27 | 178.7° | 179.9° |
| C11 | C20 | C21 | H211 | 178.8° | 179.8° |
| N23 | C11 | C20 | C21 | 2.2° | 0.4° |
| C11 | N23 | C22 | C21 | 1.7° | 0.3° |
| C11 | N23 | C22 | N27 | 179.0° | 179.7° |
| C11 | N23 | C22 | C24 | 178.7° | 179.8° |
| C11 | N23 | N27 | C26 | 178.0° | 179.7° |
| N23 | C11 | C20 | H201 | 177.8° | 179.9° |
| C30 | C12 | C34 | H121 | 120.0° | 120.1° |
| C12 | C30 | C31 | H302 | 119.7° | 120.0° |
| C12 | C30 | C31 | H301 | 119.7° | 120.0° |
| C12 | C30 | C31 | C32 | 60.0° | 60.0° |
| C30 | C12 | C34 | C33 | 59.0° | 60.0° |
| C12 | C30 | H302 | H301 | 120.8° | 120.0° |
| C12 | C30 | C31 | H311 | 179.7° | 180.0° |
| C12 | C30 | C31 | H312 | 60.2° | 60.0° |
| C30 | C12 | C34 | H341 | 179.3° | 180.0° |
| C30 | C12 | C34 | H342 | 61.2° | 60.0° |
| C30 | C12 | N10 | H101 | 85.6° | 24.9° |
| C34 | C12 | C30 | C31 | 62.0° | 60.0° |
| C12 | C34 | C33 | C32 | 52.4° | 60.0° |
| C12 | C34 | C33 | H341 | 120.2° | 119.9° |
| C12 | C34 | C33 | H342 | 120.2° | 120.0° |
| C34 | C12 | C30 | H302 | 57.8° | 60.0° |
| C34 | C12 | C30 | H301 | 178.3° | 180.0° |
| C12 | C34 | C33 | H332 | 172.7° | 180.0° |
| C12 | C34 | C33 | H331 | 67.9° | 60.0° |
| C12 | C34 | H341 | H342 | 119.3° | 120.0° |
| C34 | C12 | N10 | H101 | 35.0° | 95.0° |
| C13 | C14 | C15 | F19 | 122.6° | 120.0° |
| C13 | C14 | C15 | H141 | 118.5° | 120.0° |
| C13 | C14 | F19 | H141 | 118.0° | 120.0° |
| C13 | C14 | C15 | C16 | 49.6° | 175.0° |
| C13 | C14 | C15 | C17 | 172.9° | 55.1° |
| C13 | C14 | C15 | O18 | 70.7° | 65.0° |
| C14 | C13 | H131 | H132 | 117.0° | 119.9° |
| C14 | C13 | N08 | H081 | 92.7° | 0.0° |
| C15 | C14 | F19 | H141 | 117.1° | 120.0° |
| C14 | C15 | C16 | C17 | 121.3° | 120.0° |
| C14 | C15 | C16 | O18 | 119.5° | 120.0° |
| C14 | C15 | C17 | O18 | 116.5° | 120.1° |
| C15 | C14 | C13 | H131 | 56.9° | 60.0° |
| C15 | C14 | C13 | H132 | 61.2° | 59.9° |
| C14 | C15 | C17 | H172 | 180.0° | 60.0° |
| C14 | C15 | C17 | H171 | 60.0° | 60.1° |
| C14 | C15 | C17 | H173 | 60.0° | 180.0° |
| C14 | C15 | C16 | H163 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 60.0° | 60.0° |
| C14 | C15 | C16 | H162 | 60.0° | 60.1° |
| C14 | C15 | O18 | H181 | 180.0° | 59.9° |
| F19 | C14 | C15 | C16 | 172.2° | 55.0° |
| F19 | C14 | C15 | C17 | 64.5° | 65.0° |
| F19 | C14 | C15 | O18 | 51.9° | 174.9° |
| F19 | C14 | C13 | H131 | 65.0° | 180.0° |
| F19 | C14 | C13 | H132 | 176.9° | 60.1° |
| C16 | C15 | C17 | O18 | 120.1° | 120.0° |
| C16 | C15 | C17 | H172 | 56.6° | 60.0° |
| C16 | C15 | C17 | H171 | 63.4° | 180.0° |
| C16 | C15 | C17 | H173 | 176.6° | 60.1° |
| C16 | C15 | C14 | H141 | 68.9° | 65.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H162 | 120.0° | 119.9° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C16 | C15 | O18 | H181 | 58.2° | 60.0° |
| C15 | C17 | H172 | H171 | 120.0° | 120.0° |
| C15 | C17 | H172 | H173 | 120.0° | 120.0° |
| C15 | C17 | H171 | H173 | 120.0° | 119.9° |
| C17 | C15 | C14 | H141 | 54.5° | 175.0° |
| C17 | C15 | C16 | H163 | 58.7° | 60.0° |
| C17 | C15 | C16 | H161 | 178.7° | 180.0° |
| C17 | C15 | C16 | H162 | 61.4° | 59.9° |
| C17 | C15 | O18 | H181 | 63.4° | 180.0° |
| O18 | C15 | C17 | H172 | 63.5° | 180.0° |
| O18 | C15 | C17 | H171 | 176.5° | 60.0° |
| O18 | C15 | C17 | H173 | 56.5° | 59.9° |
| O18 | C15 | C14 | H141 | 170.8° | 55.0° |
| O18 | C15 | C16 | H163 | 60.5° | 60.0° |
| O18 | C15 | C16 | H161 | 59.5° | 59.9° |
| O18 | C15 | C16 | H162 | 179.5° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.3° | 0.0° |
| C20 | C21 | C22 | C24 | 179.9° | 179.9° |
| C21 | C22 | N23 | C24 | 179.6° | 179.9° |
| C21 | C22 | N23 | N27 | 179.4° | 180.0° |
| C21 | C22 | C24 | C25 | 179.3° | 180.0° |
| C22 | C21 | C20 | H201 | 178.9° | 180.0° |
| C21 | C22 | C24 | H241 | 0.7° | 0.1° |
| N23 | C22 | C24 | C25 | 0.2° | 0.1° |
| C22 | N23 | N27 | C26 | 0.8° | 0.1° |
| N23 | C22 | C21 | H211 | 179.7° | 180.0° |
| N23 | C22 | C24 | H241 | 179.8° | 180.0° |
| C24 | C22 | N23 | N27 | 0.3° | 0.1° |
| C22 | C24 | C25 | H241 | 180.0° | 180.0° |
| C22 | C24 | C25 | C26 | 0.7° | 0.1° |
| C22 | C24 | C25 | C28 | 179.2° | 180.0° |
| C24 | C22 | C21 | H211 | 0.2° | 0.1° |
| N23 | N27 | C26 | C25 | 1.3° | 0.1° |
| N23 | N27 | C26 | H261 | 178.7° | 180.0° |
| C24 | C25 | C26 | C28 | 178.6° | 179.9° |
| C24 | C25 | C26 | N27 | 1.3° | 0.1° |
| C24 | C25 | C28 | N29 | 165.9° | 56.8° |
| C24 | C25 | C26 | H261 | 178.7° | 180.0° |
| C25 | C26 | N27 | H261 | 180.0° | 179.9° |
| C26 | C25 | C28 | N29 | 15.6° | 123.3° |
| C26 | C25 | C24 | H241 | 179.3° | 180.0° |
| C28 | C25 | C26 | N27 | 179.9° | 180.0° |
| C28 | C25 | C24 | H241 | 0.8° | 0.1° |
| C28 | C25 | C26 | H261 | 0.1° | 0.1° |
| C30 | C31 | C32 | H311 | 120.2° | 120.0° |
| C30 | C31 | C32 | H312 | 120.3° | 120.0° |
| C30 | C31 | C32 | C33 | 55.5° | 60.0° |
| C30 | C31 | C32 | C35 | 179.3° | 180.0° |
| C31 | C30 | C12 | H121 | 58.0° | 60.0° |
| C31 | C30 | H302 | H301 | 120.8° | 120.0° |
| C30 | C31 | H311 | H312 | 119.3° | 120.0° |
| C30 | C31 | C32 | H321 | 62.5° | 60.0° |
| C31 | C32 | C33 | C35 | 123.9° | 120.0° |
| C31 | C32 | C33 | H321 | 118.0° | 120.0° |
| C31 | C32 | C35 | H321 | 116.6° | 120.0° |
| C31 | C32 | C33 | C34 | 50.9° | 60.0° |
| C31 | C32 | C35 | C36 | 97.4° | 120.0° |
| C31 | C32 | C35 | C39 | 82.7° | 59.7° |
| C32 | C31 | C30 | H302 | 59.7° | 60.0° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C32 | C31 | H311 | H312 | 119.2° | 120.0° |
| C31 | C32 | C33 | H332 | 171.2° | 180.0° |
| C31 | C32 | C33 | H331 | 69.4° | 60.0° |
| C33 | C32 | C35 | H321 | 117.9° | 120.0° |
| C32 | C33 | C34 | H332 | 120.3° | 120.0° |
| C32 | C33 | C34 | H331 | 120.3° | 120.0° |
| C33 | C32 | C35 | C36 | 137.1° | 120.0° |
| C33 | C32 | C35 | C39 | 42.9° | 60.3° |
| C33 | C32 | C31 | H311 | 175.7° | 180.0° |
| C33 | C32 | C31 | H312 | 64.8° | 60.0° |
| C32 | C33 | H332 | H331 | 119.1° | 120.0° |
| C32 | C33 | C34 | H341 | 172.6° | 180.0° |
| C32 | C33 | C34 | H342 | 67.8° | 59.9° |
| C35 | C32 | C33 | C34 | 174.9° | 180.0° |
| C32 | C35 | C36 | C39 | 180.0° | 179.7° |
| C32 | C35 | C36 | N37 | 179.8° | 179.9° |
| C32 | C35 | C39 | N38 | 179.6° | 179.9° |
| C35 | C32 | C31 | H311 | 59.0° | 60.0° |
| C35 | C32 | C31 | H312 | 60.5° | 60.0° |
| C35 | C32 | C33 | H332 | 64.8° | 60.0° |
| C35 | C32 | C33 | H331 | 54.5° | 60.0° |
| C32 | C35 | C36 | H361 | 0.2° | 0.1° |
| C32 | C35 | C39 | H391 | 0.4° | 0.1° |
| C33 | C34 | C12 | H121 | 61.0° | 60.0° |
| C34 | C33 | C32 | H321 | 67.1° | 60.0° |
| C34 | C33 | H332 | H331 | 119.1° | 120.0° |
| C33 | C34 | H341 | H342 | 119.3° | 120.1° |
| C35 | C36 | N37 | H361 | 180.0° | 179.9° |
| C35 | C36 | N37 | N38 | 0.0° | 0.2° |
| C35 | C36 | N37 | C40 | 179.8° | 180.0° |
| C36 | C35 | C39 | N38 | 0.4° | 0.2° |
| C36 | C35 | C32 | H321 | 19.3° | 0.0° |
| C36 | C35 | C39 | H391 | 179.6° | 179.7° |
| C39 | C35 | C36 | N37 | 0.2° | 0.2° |
| C35 | C39 | N38 | N37 | 0.4° | 0.1° |
| C35 | C39 | N38 | H391 | 180.0° | 180.0° |
| C39 | C35 | C32 | H321 | 160.7° | 179.7° |
| C39 | C35 | C36 | H361 | 179.8° | 179.8° |
| C36 | N37 | N38 | C40 | 179.9° | 179.8° |
| C36 | N37 | N38 | C39 | 0.2° | 0.0° |
| C36 | N37 | C40 | F41 | 115.3° | 150.0° |
| C36 | N37 | C40 | F42 | 127.0° | 30.0° |
| C36 | N37 | C40 | H401 | 6.2° | 90.0° |
| N38 | N37 | C40 | F41 | 64.5° | 30.2° |
| N38 | N37 | C40 | F42 | 53.1° | 150.2° |
| N38 | N37 | C36 | H361 | 180.0° | 179.9° |
| N37 | N38 | C39 | H391 | 179.6° | 179.9° |
| N38 | N37 | C40 | H401 | 174.0° | 89.8° |
| C40 | N37 | N38 | C39 | 179.6° | 179.9° |
| N37 | C40 | F41 | F42 | 113.5° | 120.0° |
| N37 | C40 | F41 | H401 | 120.2° | 120.0° |
| N37 | C40 | F42 | H401 | 119.5° | 120.0° |
| C40 | N37 | C36 | H361 | 0.2° | 0.1° |
| F41 | C40 | F42 | H401 | 126.3° | 120.0° |
| H131 | C13 | C14 | H141 | 175.3° | 60.0° |
| H131 | C13 | N08 | H081 | 146.4° | 120.0° |
| H132 | C13 | C14 | H141 | 57.2° | 179.9° |
| H132 | C13 | N08 | H081 | 28.3° | 120.0° |
| H172 | C17 | H171 | H173 | 120.0° | 120.1° |
| H201 | C20 | C21 | H211 | 1.1° | 0.0° |
| H121 | C12 | C30 | H302 | 177.8° | 180.0° |
| H121 | C12 | C30 | H301 | 61.7° | 60.0° |
| H121 | C12 | C34 | H341 | 59.2° | 59.9° |
| H121 | C12 | C34 | H342 | 178.7° | 180.0° |
| H121 | C12 | N10 | H101 | 154.7° | 145.0° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
| H302 | C30 | C31 | H311 | 60.6° | 60.0° |
| H302 | C30 | C31 | H312 | 179.9° | 180.0° |
| H301 | C30 | C31 | H311 | 60.0° | 60.0° |
| H301 | C30 | C31 | H312 | 59.5° | 60.0° |
| H311 | C31 | C32 | H321 | 57.7° | 60.0° |
| H312 | C31 | C32 | H321 | 177.2° | 180.0° |
| H321 | C32 | C33 | H332 | 53.2° | 60.0° |
| H321 | C32 | C33 | H331 | 172.6° | 180.0° |
| H332 | C33 | C34 | H341 | 67.1° | 60.1° |
| H332 | C33 | C34 | H342 | 52.5° | 60.0° |
| H331 | C33 | C34 | H341 | 52.3° | 60.0° |
| H331 | C33 | C34 | H342 | 171.8° | 179.9° |
