A1BWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.40Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C01 | C07 | sing | 1.47Å | 1.48Å | |
| C02 | N03 | sing | 1.31Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C11 | sing | 1.47Å | 1.47Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | N10 | sing | 1.39Å | 1.39Å | |
| C07 | N08 | sing | 1.35Å | 1.38Å | |
| C07 | O09 | doub | 1.22Å | 1.23Å | |
| N08 | C12 | sing | 1.47Å | 1.45Å | |
| N10 | C19 | sing | 1.47Å | 1.47Å | |
| C11 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | N23 | sing | 1.37Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | F18 | sing | 1.40Å | 1.37Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | O17 | sing | 1.43Å | 1.43Å | |
| C19 | C30 | sing | 1.53Å | 1.55Å | |
| C19 | C34 | sing | 1.53Å | 1.54Å | |
| C19 | C37 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| N23 | N27 | sing | 1.40Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.34Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.48Å | Aromatic |
| C25 | C28 | sing | 1.43Å | 1.41Å | |
| C26 | N27 | doub | 1.30Å | 1.29Å | Aromatic |
| C28 | N29 | trip | 1.14Å | 1.16Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | O35 | sing | 1.43Å | 1.42Å | |
| C32 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | 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 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.7° | 119.0° |
| C02 | C01 | C07 | 119.4° | 120.5° |
| C01 | C02 | N03 | 124.1° | 120.8° |
| C01 | C02 | H021 | 117.9° | 119.6° |
| C06 | C01 | C07 | 120.9° | 120.5° |
| C01 | C06 | C05 | 115.3° | 118.2° |
| C01 | C06 | N10 | 120.6° | 120.9° |
| C01 | C07 | N08 | 115.4° | 120.0° |
| C01 | C07 | O09 | 119.6° | 120.0° |
| C02 | N03 | C04 | 116.7° | 121.9° |
| N03 | C02 | H021 | 117.9° | 119.6° |
| N03 | C04 | C05 | 122.3° | 120.9° |
| N03 | C04 | C11 | 115.9° | 119.5° |
| C05 | C04 | C11 | 121.7° | 119.6° |
| C04 | C05 | C06 | 121.8° | 119.1° |
| C04 | C05 | H051 | 119.1° | 120.5° |
| C04 | C11 | C20 | 126.8° | 125.7° |
| C04 | C11 | N23 | 126.4° | 125.7° |
| C05 | C06 | N10 | 124.1° | 120.9° |
| C06 | C05 | H051 | 119.0° | 120.4° |
| C06 | N10 | C19 | 132.5° | 120.0° |
| C06 | N10 | H101 | 103.5° | 120.1° |
| N08 | C07 | O09 | 124.9° | 119.9° |
| C07 | N08 | C12 | 122.2° | 120.0° |
| C07 | N08 | H081 | 118.9° | 119.9° |
| N08 | C12 | C13 | 112.9° | 109.4° |
| N08 | C12 | H122 | 108.6° | 109.4° |
| N08 | C12 | H121 | 108.6° | 109.5° |
| C12 | N08 | H081 | 118.9° | 120.0° |
| N10 | C19 | C30 | 113.3° | 109.5° |
| N10 | C19 | C34 | 112.2° | 109.4° |
| N10 | C19 | C37 | 108.2° | 109.5° |
| C19 | N10 | H101 | 103.4° | 119.9° |
| C20 | C11 | N23 | 106.7° | 108.5° |
| C11 | C20 | C21 | 108.7° | 107.7° |
| C11 | C20 | H201 | 125.7° | 126.2° |
| C11 | N23 | C22 | 108.7° | 108.3° |
| C11 | N23 | N27 | 126.7° | 131.8° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C12 | C13 | F18 | 108.5° | 109.5° |
| C12 | C13 | H131 | 108.2° | 109.5° |
| C13 | C12 | H122 | 108.6° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.5° |
| C14 | C13 | F18 | 109.0° | 109.4° |
| C13 | C14 | C15 | 110.3° | 109.5° |
| C13 | C14 | C16 | 112.6° | 109.4° |
| C13 | C14 | O17 | 108.0° | 109.5° |
| C14 | C13 | H131 | 108.0° | 109.4° |
| F18 | C13 | H131 | 110.4° | 109.5° |
| C15 | C14 | C16 | 109.4° | 109.5° |
| C15 | C14 | O17 | 108.1° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H151 | 109.5° | 109.4° |
| C14 | C15 | H153 | 109.5° | 109.4° |
| C16 | C14 | O17 | 108.3° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.4° |
| C14 | C16 | H162 | 109.5° | 109.4° |
| C14 | O17 | H171 | 109.5° | 114.0° |
| C30 | C19 | C34 | 110.1° | 109.5° |
| C30 | C19 | C37 | 106.9° | 109.5° |
| C19 | C30 | C31 | 110.9° | 109.5° |
| C19 | C30 | H301 | 109.1° | 109.4° |
| C19 | C30 | H302 | 109.1° | 109.5° |
| C34 | C19 | C37 | 105.9° | 109.4° |
| C19 | C34 | C33 | 110.5° | 109.5° |
| C19 | C34 | H342 | 109.2° | 109.6° |
| C19 | C34 | H341 | 109.2° | 109.5° |
| C19 | C37 | C36 | 111.4° | 109.5° |
| C19 | C37 | H371 | 109.0° | 109.5° |
| C19 | C37 | H372 | 109.0° | 109.5° |
| C20 | C21 | C22 | 107.3° | 107.4° |
| C21 | C20 | H201 | 125.6° | 126.1° |
| C20 | C21 | H211 | 126.3° | 126.3° |
| C21 | C22 | N23 | 108.6° | 108.1° |
| C21 | C22 | C24 | 133.0° | 132.3° |
| C22 | C21 | H211 | 126.4° | 126.3° |
| N23 | C22 | C24 | 118.4° | 119.6° |
| C22 | N23 | N27 | 124.6° | 119.9° |
| C22 | C24 | C25 | 120.0° | 118.9° |
| C22 | C24 | H241 | 120.0° | 120.6° |
| N23 | N27 | C26 | 114.7° | 121.2° |
| C24 | C25 | C26 | 116.2° | 119.6° |
| C24 | C25 | C28 | 122.7° | 120.3° |
| C25 | C24 | H241 | 120.0° | 120.6° |
| C26 | C25 | C28 | 121.1° | 120.2° |
| C25 | C26 | N27 | 126.1° | 120.8° |
| C25 | C26 | H261 | 117.0° | 119.6° |
| C25 | C28 | N29 | 179.5° | 180.0° |
| N27 | C26 | H261 | 116.9° | 119.5° |
| C30 | C31 | C32 | 110.5° | 109.5° |
| C31 | C30 | H301 | 109.1° | 109.5° |
| C31 | C30 | H302 | 109.1° | 109.5° |
| C30 | C31 | H311 | 109.2° | 109.5° |
| C30 | C31 | H312 | 109.2° | 109.5° |
| C31 | C32 | C33 | 108.9° | 109.5° |
| C31 | C32 | O35 | 109.3° | 109.5° |
| C31 | C32 | C36 | 108.4° | 109.5° |
| C32 | C31 | H311 | 109.2° | 109.5° |
| C32 | C31 | H312 | 109.2° | 109.5° |
| C33 | C32 | O35 | 110.6° | 109.4° |
| C33 | C32 | C36 | 108.6° | 109.5° |
| C32 | C33 | C34 | 110.7° | 109.4° |
| C32 | C33 | H331 | 109.2° | 109.5° |
| C32 | C33 | H332 | 109.2° | 109.5° |
| O35 | C32 | C36 | 111.0° | 109.4° |
| C32 | O35 | H351 | 109.5° | 114.0° |
| C32 | C36 | C37 | 109.9° | 109.5° |
| C32 | C36 | H362 | 109.4° | 109.5° |
| C32 | C36 | H361 | 109.4° | 109.5° |
| C34 | C33 | H331 | 109.1° | 109.5° |
| C34 | C33 | H332 | 109.2° | 109.4° |
| C33 | C34 | H342 | 109.2° | 109.4° |
| C33 | C34 | H341 | 109.2° | 109.4° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| C36 | C37 | H371 | 109.0° | 109.5° |
| C36 | C37 | H372 | 109.0° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H362 | C36 | H361 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C07 | 179.5° | 179.7° |
| C01 | C02 | N03 | H021 | 180.0° | 179.9° |
| C01 | C02 | N03 | C04 | 0.7° | 0.1° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | N10 | 179.9° | 180.0° |
| C02 | C01 | C07 | N08 | 14.1° | 5.8° |
| C02 | C01 | C07 | O09 | 166.7° | 174.2° |
| C06 | C01 | C02 | N03 | 0.1° | 0.0° |
| C01 | C06 | C05 | C04 | 0.5° | 0.0° |
| C01 | C06 | C05 | N10 | 179.8° | 180.0° |
| C06 | C01 | C07 | N08 | 165.5° | 173.9° |
| C06 | C01 | C07 | O09 | 13.8° | 6.1° |
| C01 | C06 | N10 | C19 | 170.1° | 179.4° |
| C06 | C01 | C02 | H021 | 179.9° | 180.0° |
| C01 | C06 | C05 | H051 | 179.5° | 180.0° |
| C01 | C06 | N10 | H101 | 67.0° | 0.6° |
| C07 | C01 | C02 | N03 | 179.6° | 179.8° |
| C07 | C01 | C06 | C05 | 179.7° | 179.7° |
| C07 | C01 | C06 | N10 | 0.5° | 0.2° |
| C01 | C07 | N08 | O09 | 179.2° | 180.0° |
| C01 | C07 | N08 | C12 | 179.8° | 180.0° |
| C07 | C01 | C02 | H021 | 0.4° | 0.3° |
| C01 | C07 | N08 | H081 | 0.2° | 0.0° |
| C02 | N03 | C04 | C05 | 1.4° | 0.0° |
| C02 | N03 | C04 | C11 | 178.8° | 180.0° |
| N03 | C04 | C05 | C11 | 177.2° | 179.9° |
| N03 | C04 | C05 | C06 | 1.4° | 0.0° |
| N03 | C04 | C11 | C20 | 10.7° | 0.1° |
| N03 | C04 | C11 | N23 | 171.8° | 179.6° |
| C04 | N03 | C02 | H021 | 179.3° | 180.0° |
| N03 | C04 | C05 | H051 | 178.7° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | N10 | 179.3° | 180.0° |
| C05 | C04 | C11 | C20 | 166.7° | 180.0° |
| C05 | C04 | C11 | N23 | 10.8° | 0.4° |
| C11 | C04 | C05 | C06 | 178.6° | 179.9° |
| C04 | C11 | C20 | N23 | 177.9° | 179.7° |
| C04 | C11 | C20 | C21 | 178.4° | 180.0° |
| C04 | C11 | N23 | C22 | 178.6° | 180.0° |
| C04 | C11 | N23 | N27 | 1.7° | 0.2° |
| C04 | C11 | C20 | H201 | 1.6° | 0.2° |
| C11 | C04 | C05 | H051 | 1.4° | 0.0° |
| C05 | C06 | N10 | C19 | 10.1° | 0.5° |
| C05 | C06 | N10 | H101 | 112.7° | 179.4° |
| C06 | N10 | C19 | H101 | 122.9° | 180.0° |
| C06 | N10 | C19 | C30 | 49.9° | 179.5° |
| C06 | N10 | C19 | C34 | 175.2° | 59.5° |
| C06 | N10 | C19 | C37 | 68.3° | 60.4° |
| N10 | C06 | C05 | H051 | 0.7° | 0.0° |
| C07 | N08 | C12 | H081 | 180.0° | 179.9° |
| C07 | N08 | C12 | C13 | 84.1° | 180.0° |
| C07 | N08 | C12 | H122 | 36.4° | 60.0° |
| C07 | N08 | C12 | H121 | 155.3° | 60.0° |
| O09 | C07 | N08 | C12 | 1.0° | 0.0° |
| O09 | C07 | N08 | H081 | 179.0° | 180.0° |
| N08 | C12 | C13 | H122 | 120.5° | 120.0° |
| N08 | C12 | C13 | H121 | 120.5° | 120.0° |
| N08 | C12 | C13 | C14 | 178.4° | 180.0° |
| N08 | C12 | C13 | F18 | 57.6° | 60.0° |
| N08 | C12 | C13 | H131 | 62.2° | 60.0° |
| N08 | C12 | H122 | H121 | 118.4° | 120.0° |
| N10 | C19 | C30 | C34 | 126.4° | 120.0° |
| N10 | C19 | C30 | C37 | 119.0° | 120.0° |
| N10 | C19 | C34 | C37 | 117.8° | 120.0° |
| N10 | C19 | C30 | C31 | 174.1° | 180.0° |
| N10 | C19 | C34 | C33 | 179.0° | 180.0° |
| N10 | C19 | C37 | C36 | 176.7° | 180.0° |
| N10 | C19 | C30 | H301 | 65.7° | 60.0° |
| N10 | C19 | C30 | H302 | 53.9° | 60.0° |
| N10 | C19 | C34 | H342 | 60.9° | 60.0° |
| N10 | C19 | C34 | H341 | 58.8° | 60.0° |
| N10 | C19 | C37 | H371 | 63.0° | 60.0° |
| N10 | C19 | C37 | H372 | 56.4° | 60.0° |
| C11 | C20 | C21 | H201 | 180.0° | 179.8° |
| C11 | C20 | C21 | C22 | 0.2° | 0.2° |
| C20 | C11 | N23 | C22 | 0.7° | 0.3° |
| C20 | C11 | N23 | N27 | 179.6° | 179.9° |
| C11 | C20 | C21 | H211 | 179.8° | 179.8° |
| N23 | C11 | C20 | C21 | 0.5° | 0.3° |
| C11 | N23 | C22 | C21 | 0.6° | 0.2° |
| C11 | N23 | C22 | N27 | 179.7° | 179.9° |
| C11 | N23 | C22 | C24 | 179.7° | 179.8° |
| C11 | N23 | N27 | C26 | 179.6° | 179.8° |
| N23 | C11 | C20 | H201 | 179.5° | 179.9° |
| C12 | C13 | C14 | F18 | 120.6° | 120.0° |
| C12 | C13 | C14 | H131 | 119.5° | 120.0° |
| C12 | C13 | F18 | H131 | 118.4° | 120.1° |
| C12 | C13 | C14 | C15 | 174.6° | 175.0° |
| C12 | C13 | C14 | C16 | 52.0° | 55.0° |
| C12 | C13 | C14 | O17 | 67.5° | 65.0° |
| C13 | C12 | H122 | H121 | 118.4° | 120.1° |
| C13 | C12 | N08 | H081 | 95.9° | 0.0° |
| C14 | C13 | F18 | H131 | 118.4° | 119.9° |
| C13 | C14 | C15 | C16 | 124.4° | 120.0° |
| C13 | C14 | C15 | O17 | 117.8° | 120.0° |
| C13 | C14 | C16 | O17 | 119.3° | 120.0° |
| C13 | C14 | C15 | H152 | 180.0° | 60.0° |
| C13 | C14 | C15 | H151 | 60.0° | 180.0° |
| C13 | C14 | C15 | H153 | 60.0° | 60.1° |
| C14 | C13 | C12 | H122 | 57.9° | 60.0° |
| C14 | C13 | C12 | H121 | 61.0° | 60.1° |
| C13 | C14 | C16 | H163 | 180.0° | 60.0° |
| C13 | C14 | C16 | H161 | 60.0° | 180.0° |
| C13 | C14 | C16 | H162 | 60.0° | 60.0° |
| C13 | C14 | O17 | H171 | 180.0° | 60.0° |
| F18 | C13 | C14 | C15 | 64.8° | 55.0° |
| F18 | C13 | C14 | C16 | 172.7° | 65.0° |
| F18 | C13 | C14 | O17 | 53.2° | 175.0° |
| F18 | C13 | C12 | H122 | 63.0° | 180.0° |
| F18 | C13 | C12 | H121 | 178.1° | 59.9° |
| C15 | C14 | C16 | O17 | 117.7° | 120.0° |
| C15 | C14 | C13 | H131 | 55.1° | 65.0° |
| C14 | C15 | H152 | H151 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 119.9° |
| C15 | C14 | C16 | H163 | 57.0° | 180.0° |
| C15 | C14 | C16 | H161 | 177.0° | 60.0° |
| C15 | C14 | C16 | H162 | 63.0° | 60.0° |
| C15 | C14 | O17 | H171 | 60.7° | 60.0° |
| C16 | C14 | C13 | H131 | 67.4° | 175.0° |
| C16 | C14 | C15 | H152 | 55.6° | 60.0° |
| C16 | C14 | C15 | H151 | 64.4° | 60.0° |
| C16 | C14 | C15 | H153 | 175.6° | 180.0° |
| C14 | C16 | H163 | H161 | 120.0° | 120.0° |
| C14 | C16 | H163 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H162 | 120.0° | 119.9° |
| C16 | C14 | O17 | H171 | 57.8° | 180.0° |
| O17 | C14 | C13 | H131 | 173.1° | 55.1° |
| O17 | C14 | C15 | H152 | 62.2° | 180.0° |
| O17 | C14 | C15 | H151 | 177.8° | 60.0° |
| O17 | C14 | C15 | H153 | 57.8° | 60.0° |
| O17 | C14 | C16 | H163 | 60.7° | 60.0° |
| O17 | C14 | C16 | H161 | 59.3° | 60.0° |
| O17 | C14 | C16 | H162 | 179.3° | 180.0° |
| C30 | C19 | C34 | C37 | 115.2° | 120.0° |
| C19 | C30 | C31 | H301 | 120.2° | 120.0° |
| C19 | C30 | C31 | H302 | 120.2° | 120.0° |
| C19 | C30 | C31 | C32 | 4.6° | 0.0° |
| C30 | C19 | C34 | C33 | 51.9° | 60.0° |
| C30 | C19 | C37 | C36 | 61.0° | 60.0° |
| C19 | C30 | H301 | H302 | 119.3° | 120.0° |
| C19 | C30 | C31 | H311 | 124.8° | 120.0° |
| C19 | C30 | C31 | H312 | 115.6° | 120.0° |
| C30 | C19 | C34 | H342 | 172.1° | 179.9° |
| C30 | C19 | C34 | H341 | 68.3° | 60.0° |
| C30 | C19 | C37 | H371 | 59.3° | 60.0° |
| C30 | C19 | C37 | H372 | 178.7° | 180.0° |
| C30 | C19 | N10 | H101 | 172.8° | 0.5° |
| C34 | C19 | C30 | C31 | 59.5° | 60.0° |
| C19 | C34 | C33 | C32 | 8.0° | 0.0° |
| C19 | C34 | C33 | H342 | 120.2° | 120.1° |
| C19 | C34 | C33 | H341 | 120.2° | 120.0° |
| C34 | C19 | C37 | C36 | 56.3° | 60.1° |
| C34 | C19 | C30 | H301 | 60.7° | 60.0° |
| C34 | C19 | C30 | H302 | 179.7° | 180.0° |
| C19 | C34 | C33 | H331 | 112.2° | 120.0° |
| C19 | C34 | C33 | H332 | 128.2° | 120.0° |
| C19 | C34 | H342 | H341 | 119.5° | 120.1° |
| C34 | C19 | C37 | H371 | 176.6° | 180.0° |
| C34 | C19 | C37 | H372 | 64.0° | 60.0° |
| C34 | C19 | N10 | H101 | 61.9° | 120.5° |
| C37 | C19 | C30 | C31 | 55.1° | 60.0° |
| C19 | C37 | C36 | C32 | 4.8° | 0.0° |
| C37 | C19 | C34 | C33 | 63.3° | 60.0° |
| C19 | C37 | C36 | H371 | 120.3° | 120.0° |
| C19 | C37 | C36 | H372 | 120.3° | 120.1° |
| C37 | C19 | C30 | H301 | 175.3° | 180.0° |
| C37 | C19 | C30 | H302 | 65.1° | 60.1° |
| C37 | C19 | C34 | H342 | 56.9° | 59.9° |
| C37 | C19 | C34 | H341 | 176.6° | 180.0° |
| C19 | C37 | C36 | H362 | 115.3° | 120.0° |
| C19 | C37 | C36 | H361 | 124.9° | 120.0° |
| C19 | C37 | H371 | H372 | 119.1° | 120.0° |
| C37 | C19 | N10 | H101 | 54.6° | 119.5° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.3° | 0.0° |
| C20 | C21 | C22 | C24 | 179.9° | 180.0° |
| C21 | C22 | N23 | C24 | 179.7° | 180.0° |
| C21 | C22 | N23 | N27 | 179.7° | 180.0° |
| C21 | C22 | C24 | C25 | 179.8° | 180.0° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C21 | C22 | C24 | H241 | 0.2° | 0.0° |
| N23 | C22 | C24 | C25 | 0.1° | 0.0° |
| C22 | N23 | N27 | C26 | 0.1° | 0.0° |
| N23 | C22 | C21 | H211 | 179.8° | 180.0° |
| N23 | C22 | C24 | H241 | 179.9° | 180.0° |
| C24 | C22 | N23 | N27 | 0.0° | 0.0° |
| C22 | C24 | C25 | H241 | 180.0° | 180.0° |
| C22 | C24 | C25 | C26 | 0.2° | 0.0° |
| C22 | C24 | C25 | C28 | 179.9° | 180.0° |
| C24 | C22 | C21 | H211 | 0.1° | 0.0° |
| N23 | N27 | C26 | C25 | 0.0° | 0.0° |
| N23 | N27 | C26 | H261 | 180.0° | 180.0° |
| C24 | C25 | C26 | C28 | 179.9° | 180.0° |
| C24 | C25 | C26 | N27 | 0.1° | 0.0° |
| C24 | C25 | C28 | N29 | 5.6° | 3.3° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C25 | C26 | N27 | H261 | 180.0° | 180.0° |
| C26 | C25 | C28 | N29 | 174.3° | 176.8° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C28 | C25 | C26 | N27 | 180.0° | 180.0° |
| C28 | C25 | C24 | H241 | 0.1° | 0.0° |
| C28 | C25 | C26 | H261 | 0.0° | 0.0° |
| C30 | C31 | C32 | H311 | 120.1° | 120.0° |
| C30 | C31 | C32 | H312 | 120.2° | 120.0° |
| C30 | C31 | C32 | C33 | 55.4° | 60.0° |
| C30 | C31 | C32 | O35 | 176.4° | 180.0° |
| C30 | C31 | C32 | C36 | 62.5° | 60.0° |
| C31 | C30 | H301 | H302 | 119.4° | 120.0° |
| C30 | C31 | H311 | H312 | 119.5° | 120.0° |
| C31 | C32 | C33 | O35 | 120.2° | 120.0° |
| C31 | C32 | C33 | C36 | 117.8° | 120.0° |
| C31 | C32 | O35 | C36 | 119.5° | 120.0° |
| C31 | C32 | C33 | C34 | 63.0° | 60.0° |
| C31 | C32 | C36 | C37 | 56.5° | 60.0° |
| C32 | C31 | C30 | H301 | 115.6° | 120.0° |
| C32 | C31 | C30 | H302 | 124.8° | 120.0° |
| C32 | C31 | H311 | H312 | 119.6° | 120.0° |
| C31 | C32 | C33 | H331 | 57.2° | 60.0° |
| C31 | C32 | C33 | H332 | 176.8° | 180.0° |
| C31 | C32 | C36 | H362 | 176.6° | 180.0° |
| C31 | C32 | C36 | H361 | 63.6° | 60.0° |
| C31 | C32 | O35 | H351 | 180.0° | 180.0° |
| C33 | C32 | O35 | C36 | 120.6° | 120.0° |
| C32 | C33 | C34 | H331 | 120.2° | 120.0° |
| C32 | C33 | C34 | H332 | 120.2° | 120.0° |
| C33 | C32 | C36 | C37 | 61.7° | 60.0° |
| C33 | C32 | C31 | H311 | 64.7° | 60.0° |
| C33 | C32 | C31 | H312 | 175.6° | 180.0° |
| C32 | C33 | H331 | H332 | 119.4° | 120.1° |
| C32 | C33 | C34 | H342 | 112.1° | 120.0° |
| C32 | C33 | C34 | H341 | 128.2° | 120.0° |
| C33 | C32 | C36 | H362 | 58.4° | 60.0° |
| C33 | C32 | C36 | H361 | 178.3° | 180.0° |
| C33 | C32 | O35 | H351 | 60.1° | 60.0° |
| O35 | C32 | C33 | C34 | 176.8° | 180.0° |
| O35 | C32 | C36 | C37 | 176.6° | 180.0° |
| O35 | C32 | C31 | H311 | 56.2° | 60.0° |
| O35 | C32 | C31 | H312 | 63.5° | 60.0° |
| O35 | C32 | C33 | H331 | 63.0° | 60.0° |
| O35 | C32 | C33 | H332 | 56.6° | 60.0° |
| O35 | C32 | C36 | H362 | 63.4° | 60.0° |
| O35 | C32 | C36 | H361 | 56.5° | 60.0° |
| C36 | C32 | C33 | C34 | 54.8° | 60.0° |
| C32 | C36 | C37 | H362 | 120.1° | 120.0° |
| C32 | C36 | C37 | H361 | 120.1° | 120.0° |
| C36 | C32 | C31 | H311 | 177.3° | 180.0° |
| C36 | C32 | C31 | H312 | 57.6° | 60.0° |
| C36 | C32 | C33 | H331 | 175.0° | 180.0° |
| C36 | C32 | C33 | H332 | 65.4° | 59.9° |
| C32 | C36 | H362 | H361 | 119.8° | 120.0° |
| C32 | C36 | C37 | H371 | 115.5° | 120.0° |
| C32 | C36 | C37 | H372 | 125.1° | 120.0° |
| C36 | C32 | O35 | H351 | 60.5° | 60.0° |
| C34 | C33 | H331 | H332 | 119.4° | 120.0° |
| C33 | C34 | H342 | H341 | 119.5° | 119.9° |
| C37 | C36 | H362 | H361 | 119.8° | 120.0° |
| C36 | C37 | H371 | H372 | 119.1° | 120.0° |
| H131 | C13 | C12 | H122 | 177.3° | 60.0° |
| H131 | C13 | C12 | H121 | 58.3° | 180.0° |
| H152 | C15 | H151 | H153 | 120.0° | 120.1° |
| H201 | C20 | C21 | H211 | 0.2° | 0.0° |
| H122 | C12 | N08 | H081 | 143.6° | 120.1° |
| H121 | C12 | N08 | H081 | 24.7° | 119.9° |
| H163 | C16 | H161 | H162 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 4.6° | 0.0° |
| H301 | C30 | C31 | H312 | 124.2° | 120.0° |
| H302 | C30 | C31 | H311 | 115.0° | 120.0° |
| H302 | C30 | C31 | H312 | 4.6° | 0.0° |
| H331 | C33 | C34 | H342 | 127.7° | 119.9° |
| H331 | C33 | C34 | H341 | 8.0° | 0.0° |
| H332 | C33 | C34 | H342 | 8.1° | 0.0° |
| H332 | C33 | C34 | H341 | 111.6° | 120.0° |
| H362 | C36 | C37 | H371 | 124.4° | 120.0° |
| H362 | C36 | C37 | H372 | 5.0° | 0.0° |
| H361 | C36 | C37 | H371 | 4.6° | 0.0° |
| H361 | C36 | C37 | H372 | 114.8° | 120.0° |
