A1EGR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C23 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C22 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.43Å | 1.52Å | |
| C21 | N14 | sing | 1.46Å | 1.47Å | |
| C28 | N37 | trip | 1.14Å | 1.14Å | |
| N19 | C01 | sing | 1.37Å | 1.46Å | |
| N19 | C13 | doub | 1.31Å | 1.44Å | |
| C02 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.42Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C03 | C07 | doub | 1.38Å | 1.45Å | Aromatic |
| C03 | C04 | sing | 1.47Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.34Å | 1.32Å | Aromatic |
| C06 | CL11 | sing | 1.74Å | 1.76Å | |
| C06 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.40Å | Aromatic |
| C04 | N09 | doub | 1.32Å | 1.35Å | Aromatic |
| N14 | C13 | sing | 1.38Å | 1.34Å | |
| N14 | C15 | sing | 1.35Å | 1.32Å | |
| N08 | N09 | sing | 1.40Å | 1.33Å | Aromatic |
| N08 | C10 | sing | 1.47Å | 1.46Å | |
| C13 | N12 | sing | 1.38Å | 1.30Å | |
| O20 | C15 | doub | 1.22Å | 1.37Å | |
| C15 | N16 | sing | 1.35Å | 1.30Å | |
| N12 | C17 | sing | 1.35Å | 1.33Å | |
| N16 | C17 | sing | 1.35Å | 1.33Å | |
| N16 | C30 | sing | 1.40Å | 1.47Å | |
| C17 | O18 | doub | 1.22Å | 1.37Å | |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | N32 | sing | 1.32Å | 1.34Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.41Å | Aromatic |
| N32 | C33 | doub | 1.32Å | 1.32Å | Aromatic |
| C34 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | O36 | sing | 1.36Å | 1.40Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | O36 | sing | 1.43Å | 1.40Å | |
| C39 | O40 | sing | 1.43Å | 1.40Å | |
| O40 | C41 | sing | 1.43Å | 1.40Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C23 | C24 | 119.8° | 119.8° |
| C29 | C23 | C22 | 119.7° | 119.9° |
| C23 | C29 | H291 | 109.5° | 109.5° |
| C23 | C29 | H292 | 109.5° | 109.4° |
| C23 | C29 | H293 | 109.4° | 109.4° |
| C23 | C24 | C25 | 120.2° | 120.2° |
| C24 | C23 | C22 | 120.5° | 120.3° |
| C23 | C24 | H241 | 119.9° | 119.9° |
| C24 | C25 | C26 | 119.0° | 119.8° |
| C25 | C24 | H241 | 119.9° | 119.9° |
| C24 | C25 | H251 | 120.5° | 120.1° |
| C23 | C22 | C21 | 120.2° | 119.9° |
| C23 | C22 | C27 | 119.0° | 120.2° |
| C25 | C26 | C27 | 120.5° | 119.7° |
| C25 | C26 | C28 | 119.9° | 120.1° |
| C26 | C25 | H251 | 120.5° | 120.1° |
| C21 | C22 | C27 | 120.8° | 119.9° |
| C22 | C21 | N14 | 113.1° | 109.5° |
| C22 | C21 | H211 | 108.6° | 109.5° |
| C22 | C21 | H212 | 108.6° | 109.5° |
| C22 | C27 | C26 | 120.8° | 119.9° |
| C22 | C27 | H271 | 119.6° | 120.1° |
| C27 | C26 | C28 | 119.6° | 120.2° |
| C26 | C27 | H271 | 119.6° | 120.1° |
| C26 | C28 | N37 | 179.5° | 180.0° |
| C21 | N14 | C13 | 121.2° | 120.2° |
| C21 | N14 | C15 | 118.8° | 120.2° |
| N14 | C21 | H211 | 108.5° | 109.5° |
| N14 | C21 | H212 | 108.6° | 109.5° |
| C01 | N19 | C13 | 119.8° | 120.0° |
| N19 | C01 | C02 | 123.1° | 119.4° |
| N19 | C01 | C06 | 118.0° | 119.4° |
| N19 | C13 | N14 | 121.2° | 120.4° |
| N19 | C13 | N12 | 116.9° | 120.4° |
| C01 | C02 | C03 | 118.7° | 119.4° |
| C02 | C01 | C06 | 118.8° | 121.2° |
| C01 | C02 | H021 | 120.7° | 120.3° |
| C02 | C03 | C07 | 134.9° | 134.6° |
| C02 | C03 | C04 | 121.3° | 119.0° |
| C03 | C02 | H021 | 120.6° | 120.3° |
| C01 | C06 | CL11 | 119.2° | 119.2° |
| C01 | C06 | C05 | 122.5° | 121.7° |
| C07 | C03 | C04 | 103.8° | 106.4° |
| C03 | C07 | N08 | 107.7° | 107.8° |
| C03 | C07 | H071 | 126.2° | 126.1° |
| C03 | C04 | C05 | 120.0° | 118.9° |
| C03 | C04 | N09 | 108.9° | 106.8° |
| C07 | N08 | N09 | 110.2° | 110.0° |
| C07 | N08 | C10 | 125.7° | 125.0° |
| N08 | C07 | H071 | 126.2° | 126.1° |
| CL11 | C06 | C05 | 118.4° | 119.2° |
| C06 | C05 | C04 | 118.7° | 119.9° |
| C06 | C05 | H051 | 120.7° | 120.0° |
| C05 | C04 | N09 | 131.1° | 134.4° |
| C04 | C05 | H051 | 120.7° | 120.0° |
| C04 | N09 | N08 | 109.5° | 109.0° |
| C13 | N14 | C15 | 120.0° | 119.6° |
| N14 | C13 | N12 | 121.9° | 119.1° |
| N14 | C15 | O20 | 121.5° | 119.8° |
| N14 | C15 | N16 | 119.2° | 120.4° |
| N09 | N08 | C10 | 124.1° | 125.0° |
| N08 | C10 | H102 | 109.5° | 109.4° |
| N08 | C10 | H103 | 109.5° | 109.5° |
| N08 | C10 | H101 | 109.4° | 109.5° |
| C13 | N12 | C17 | 116.8° | 119.6° |
| C13 | N12 | H1 | 121.6° | 120.2° |
| O20 | C15 | N16 | 119.3° | 119.8° |
| C15 | N16 | C17 | 119.9° | 120.8° |
| C15 | N16 | C30 | 120.9° | 119.6° |
| N12 | C17 | N16 | 122.2° | 120.4° |
| N12 | C17 | O18 | 117.9° | 119.8° |
| C17 | N12 | H1 | 121.6° | 120.2° |
| C17 | N16 | C30 | 119.1° | 119.6° |
| N16 | C17 | O18 | 119.9° | 119.8° |
| N16 | C30 | C31 | 121.5° | 120.5° |
| N16 | C30 | C35 | 118.7° | 120.5° |
| C31 | C30 | C35 | 119.8° | 119.1° |
| C30 | C31 | N32 | 121.3° | 120.8° |
| C30 | C31 | H311 | 119.4° | 119.6° |
| C30 | C35 | C34 | 117.6° | 118.3° |
| C30 | C35 | H351 | 121.2° | 120.8° |
| C31 | N32 | C33 | 120.6° | 121.8° |
| N32 | C31 | H311 | 119.4° | 119.6° |
| C35 | C34 | C33 | 119.1° | 119.1° |
| C35 | C34 | O36 | 121.3° | 120.4° |
| C34 | C35 | H351 | 121.2° | 120.8° |
| N32 | C33 | C34 | 121.5° | 120.8° |
| N32 | C33 | H331 | 119.3° | 119.6° |
| C33 | C34 | O36 | 119.5° | 120.4° |
| C34 | C33 | H331 | 119.2° | 119.6° |
| C34 | O36 | C38 | 118.0° | 117.0° |
| C39 | C38 | O36 | 107.8° | 109.5° |
| C38 | C39 | O40 | 106.8° | 109.5° |
| C39 | C38 | H381 | 109.9° | 109.4° |
| C39 | C38 | H382 | 109.9° | 109.4° |
| C38 | C39 | H391 | 110.2° | 109.5° |
| C38 | C39 | H392 | 110.1° | 109.4° |
| O36 | C38 | H381 | 109.9° | 109.5° |
| O36 | C38 | H382 | 109.9° | 109.5° |
| C39 | O40 | C41 | 115.4° | 114.0° |
| O40 | C39 | H391 | 110.1° | 109.5° |
| O40 | C39 | H392 | 110.1° | 109.5° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| O40 | C41 | H411 | 109.4° | 109.4° |
| O40 | C41 | H412 | 109.5° | 109.4° |
| H102 | C10 | H103 | 109.4° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H413 | C41 | H411 | 109.5° | 109.5° |
| H413 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C23 | C24 | C22 | 179.7° | 180.0° |
| C29 | C23 | C24 | C25 | 179.9° | 180.0° |
| C29 | C23 | C22 | C21 | 0.6° | 0.0° |
| C29 | C23 | C22 | C27 | 179.8° | 179.7° |
| C29 | C23 | C24 | H241 | 0.1° | 0.0° |
| C23 | C29 | H291 | H292 | 120.0° | 120.0° |
| C23 | C29 | H291 | H293 | 120.0° | 119.9° |
| C23 | C29 | H292 | H293 | 120.0° | 119.9° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C24 | C23 | C22 | C21 | 179.7° | 180.0° |
| C24 | C23 | C22 | C27 | 0.5° | 0.2° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C24 | C23 | C29 | H291 | 90.2° | 85.6° |
| C24 | C23 | C29 | H292 | 149.9° | 34.4° |
| C24 | C23 | C29 | H293 | 29.9° | 154.4° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.2° |
| C24 | C25 | C26 | C28 | 179.8° | 180.0° |
| C23 | C22 | C21 | C27 | 179.2° | 179.8° |
| C23 | C22 | C27 | C26 | 0.3° | 0.5° |
| C23 | C22 | C21 | N14 | 172.5° | 175.0° |
| C23 | C22 | C21 | H211 | 67.0° | 64.9° |
| C23 | C22 | C21 | H212 | 51.9° | 55.0° |
| C22 | C23 | C24 | H241 | 179.6° | 180.0° |
| C23 | C22 | C27 | H271 | 179.7° | 179.8° |
| C22 | C23 | C29 | H291 | 90.1° | 94.3° |
| C22 | C23 | C29 | H292 | 29.9° | 145.6° |
| C22 | C23 | C29 | H293 | 149.9° | 25.7° |
| C25 | C26 | C27 | C22 | 0.1° | 0.4° |
| C25 | C26 | C27 | C28 | 179.6° | 179.8° |
| C25 | C26 | C28 | N37 | 110.8° | 173.6° |
| C26 | C25 | C24 | H241 | 180.0° | 180.0° |
| C25 | C26 | C27 | H271 | 179.9° | 179.8° |
| C21 | C22 | C27 | C26 | 179.4° | 179.8° |
| C22 | C21 | N14 | H211 | 120.5° | 120.0° |
| C22 | C21 | N14 | H212 | 120.6° | 120.0° |
| C22 | C21 | N14 | C13 | 83.6° | 94.3° |
| C22 | C21 | N14 | C15 | 98.1° | 85.7° |
| C22 | C21 | H211 | H212 | 118.4° | 119.9° |
| C21 | C22 | C27 | H271 | 0.6° | 0.0° |
| C22 | C27 | C26 | H271 | 180.0° | 179.8° |
| C22 | C27 | C26 | C28 | 179.7° | 179.7° |
| C27 | C22 | C21 | N14 | 6.7° | 5.2° |
| C27 | C22 | C21 | H211 | 113.8° | 114.9° |
| C27 | C22 | C21 | H212 | 127.3° | 125.2° |
| C27 | C26 | C28 | N37 | 69.7° | 6.3° |
| C27 | C26 | C25 | H251 | 179.8° | 179.8° |
| C28 | C26 | C25 | H251 | 0.2° | 0.0° |
| C28 | C26 | C27 | H271 | 0.3° | 0.0° |
| C21 | N14 | C13 | N19 | 1.3° | 0.3° |
| C21 | N14 | C13 | C15 | 178.3° | 180.0° |
| C21 | N14 | C13 | N12 | 179.6° | 179.9° |
| C21 | N14 | C15 | O20 | 0.7° | 0.0° |
| C21 | N14 | C15 | N16 | 179.7° | 180.0° |
| N14 | C21 | H211 | H212 | 118.4° | 120.0° |
| N19 | C01 | C02 | C06 | 179.3° | 179.7° |
| N19 | C01 | C02 | C03 | 179.1° | 179.7° |
| N19 | C01 | C06 | CL11 | 0.7° | 0.2° |
| N19 | C01 | C06 | C05 | 178.7° | 179.7° |
| C01 | N19 | C13 | N14 | 178.6° | 174.7° |
| C01 | N19 | C13 | N12 | 0.2° | 5.7° |
| N19 | C01 | C02 | H021 | 0.9° | 0.3° |
| C13 | N19 | C01 | C02 | 96.3° | 50.3° |
| C13 | N19 | C01 | C06 | 84.3° | 129.9° |
| N19 | C13 | N14 | N12 | 178.3° | 179.6° |
| N19 | C13 | N14 | C15 | 179.6° | 179.7° |
| N19 | C13 | N12 | C17 | 179.4° | 179.7° |
| N19 | C13 | N12 | H1 | 0.6° | 0.4° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C07 | 179.6° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | C01 | C06 | CL11 | 179.9° | 180.0° |
| C02 | C01 | C06 | C05 | 0.7° | 0.1° |
| C03 | C02 | C01 | C06 | 0.2° | 0.0° |
| C02 | C03 | C07 | C04 | 179.5° | 180.0° |
| C02 | C03 | C07 | N08 | 179.5° | 179.9° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C02 | C03 | C04 | N09 | 179.6° | 180.0° |
| C02 | C03 | C07 | H071 | 0.5° | 0.1° |
| C01 | C06 | CL11 | C05 | 179.4° | 179.9° |
| C01 | C06 | C05 | C04 | 0.9° | 0.1° |
| C06 | C01 | C02 | H021 | 179.7° | 180.0° |
| C01 | C06 | C05 | H051 | 179.1° | 180.0° |
| C03 | C07 | N08 | H071 | 180.0° | 179.9° |
| C07 | C03 | C04 | C05 | 180.0° | 180.0° |
| C07 | C03 | C04 | N09 | 0.0° | 0.0° |
| C03 | C07 | N08 | N09 | 0.1° | 0.0° |
| C03 | C07 | N08 | C10 | 179.6° | 180.0° |
| C07 | C03 | C02 | H021 | 0.4° | 0.0° |
| C04 | C03 | C07 | N08 | 0.1° | 0.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.1° |
| C03 | C04 | C05 | N09 | 179.9° | 180.0° |
| C03 | C04 | N09 | N08 | 0.0° | 0.0° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C03 | C04 | C05 | H051 | 179.3° | 180.0° |
| C04 | C03 | C07 | H071 | 179.9° | 179.9° |
| C07 | N08 | N09 | C04 | 0.1° | 0.0° |
| C07 | N08 | N09 | C10 | 179.5° | 180.0° |
| C07 | N08 | C10 | H102 | 179.4° | 90.0° |
| C07 | N08 | C10 | H103 | 59.4° | 150.1° |
| C07 | N08 | C10 | H101 | 60.6° | 30.0° |
| CL11 | C06 | C05 | C04 | 179.7° | 180.0° |
| CL11 | C06 | C05 | H051 | 0.3° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | N09 | 179.2° | 180.0° |
| C05 | C04 | N09 | N08 | 179.9° | 180.0° |
| C04 | N09 | N08 | C10 | 179.6° | 180.0° |
| N09 | C04 | C05 | H051 | 0.8° | 0.0° |
| C13 | N14 | C15 | O20 | 179.0° | 180.0° |
| C13 | N14 | C15 | N16 | 1.4° | 0.0° |
| N14 | C13 | N12 | C17 | 2.2° | 0.1° |
| C13 | N14 | C21 | H211 | 37.0° | 25.7° |
| C13 | N14 | C21 | H212 | 155.9° | 145.7° |
| N14 | C13 | N12 | H1 | 177.8° | 180.0° |
| C15 | N14 | C13 | N12 | 2.1° | 0.1° |
| N14 | C15 | O20 | N16 | 179.6° | 180.0° |
| N14 | C15 | N16 | C17 | 0.9° | 0.0° |
| N14 | C15 | N16 | C30 | 180.0° | 180.0° |
| C15 | N14 | C21 | H211 | 141.4° | 154.3° |
| C15 | N14 | C21 | H212 | 22.5° | 34.3° |
| N09 | N08 | C07 | H071 | 179.9° | 179.9° |
| N09 | N08 | C10 | H102 | 0.0° | 90.0° |
| N09 | N08 | C10 | H103 | 120.0° | 30.0° |
| N09 | N08 | C10 | H101 | 120.0° | 150.0° |
| C10 | N08 | C07 | H071 | 0.4° | 0.1° |
| N08 | C10 | H102 | H103 | 120.0° | 120.0° |
| N08 | C10 | H102 | H101 | 120.0° | 120.0° |
| N08 | C10 | H103 | H101 | 120.0° | 120.1° |
| C13 | N12 | C17 | H1 | 180.0° | 179.9° |
| C13 | N12 | C17 | N16 | 1.7° | 0.1° |
| C13 | N12 | C17 | O18 | 179.8° | 179.9° |
| O20 | C15 | N16 | C17 | 179.5° | 180.0° |
| O20 | C15 | N16 | C30 | 0.4° | 0.0° |
| C15 | N16 | C17 | N12 | 1.1° | 0.0° |
| C15 | N16 | C17 | C30 | 179.1° | 180.0° |
| C15 | N16 | C17 | O18 | 179.6° | 180.0° |
| C15 | N16 | C30 | C31 | 75.9° | 119.1° |
| C15 | N16 | C30 | C35 | 102.9° | 61.2° |
| N12 | C17 | N16 | O18 | 178.5° | 180.0° |
| N12 | C17 | N16 | C30 | 179.7° | 180.0° |
| C17 | N16 | C30 | C31 | 105.0° | 60.9° |
| C17 | N16 | C30 | C35 | 76.2° | 118.8° |
| N16 | C17 | N12 | H1 | 178.3° | 180.0° |
| C30 | N16 | C17 | O18 | 1.3° | 0.0° |
| N16 | C30 | C31 | C35 | 178.8° | 179.7° |
| N16 | C30 | C31 | N32 | 179.2° | 179.7° |
| N16 | C30 | C35 | C34 | 179.9° | 179.7° |
| N16 | C30 | C31 | H311 | 0.8° | 0.3° |
| N16 | C30 | C35 | H351 | 0.1° | 0.3° |
| O18 | C17 | N12 | H1 | 0.2° | 0.1° |
| C30 | C31 | N32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C35 | C34 | 1.2° | 0.0° |
| C30 | C31 | N32 | C33 | 2.1° | 0.0° |
| C31 | C30 | C35 | H351 | 178.8° | 180.0° |
| C35 | C30 | C31 | N32 | 2.0° | 0.1° |
| C30 | C35 | C34 | H351 | 180.0° | 180.0° |
| C30 | C35 | C34 | C33 | 0.6° | 0.0° |
| C30 | C35 | C34 | O36 | 179.8° | 180.0° |
| C35 | C30 | C31 | H311 | 178.0° | 180.0° |
| C31 | N32 | C33 | C34 | 1.5° | 0.0° |
| C31 | N32 | C33 | H331 | 178.5° | 180.0° |
| C35 | C34 | C33 | N32 | 0.7° | 0.0° |
| C35 | C34 | C33 | O36 | 179.7° | 180.0° |
| C35 | C34 | O36 | C38 | 20.3° | 180.0° |
| C35 | C34 | C33 | H331 | 179.3° | 180.0° |
| N32 | C33 | C34 | H331 | 180.0° | 180.0° |
| N32 | C33 | C34 | O36 | 179.7° | 180.0° |
| C33 | N32 | C31 | H311 | 177.9° | 180.0° |
| C33 | C34 | O36 | C38 | 159.4° | 0.0° |
| C33 | C34 | C35 | H351 | 179.4° | 180.0° |
| C34 | O36 | C38 | C39 | 156.3° | 180.0° |
| O36 | C34 | C33 | H331 | 0.3° | 0.0° |
| O36 | C34 | C35 | H351 | 0.2° | 0.0° |
| C34 | O36 | C38 | H381 | 36.5° | 60.0° |
| C34 | O36 | C38 | H382 | 84.0° | 60.0° |
| C39 | C38 | O36 | H381 | 119.7° | 120.0° |
| C39 | C38 | O36 | H382 | 119.7° | 119.9° |
| C38 | C39 | O40 | H391 | 119.6° | 120.0° |
| C38 | C39 | O40 | H392 | 119.6° | 119.9° |
| C38 | C39 | O40 | C41 | 176.4° | 179.9° |
| C39 | C38 | H381 | H382 | 120.7° | 119.9° |
| C38 | C39 | H391 | H392 | 121.3° | 119.9° |
| O36 | C38 | C39 | O40 | 62.1° | 65.0° |
| O36 | C38 | H381 | H382 | 120.8° | 120.1° |
| O36 | C38 | C39 | H391 | 178.3° | 175.0° |
| O36 | C38 | C39 | H392 | 57.5° | 55.0° |
| O40 | C39 | C38 | H381 | 178.1° | 175.0° |
| O40 | C39 | C38 | H382 | 57.6° | 55.0° |
| O40 | C39 | H391 | H392 | 121.2° | 120.1° |
| C39 | O40 | C41 | H413 | 180.0° | 60.0° |
| C39 | O40 | C41 | H411 | 60.0° | 180.0° |
| C39 | O40 | C41 | H412 | 60.0° | 60.0° |
| C41 | O40 | C39 | H391 | 64.0° | 60.0° |
| C41 | O40 | C39 | H392 | 56.8° | 60.0° |
| O40 | C41 | H413 | H411 | 120.0° | 120.0° |
| O40 | C41 | H413 | H412 | 120.0° | 120.0° |
| O40 | C41 | H411 | H412 | 120.0° | 119.9° |
| H102 | C10 | H103 | H101 | 120.0° | 120.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.1° |
| H381 | C38 | C39 | H391 | 58.6° | 55.0° |
| H381 | C38 | C39 | H392 | 62.3° | 65.0° |
| H382 | C38 | C39 | H391 | 61.9° | 65.0° |
| H382 | C38 | C39 | H392 | 177.2° | 175.0° |
| H413 | C41 | H411 | H412 | 120.0° | 120.1° |
