RPF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | O2 | sing | 1.43Å | 1.41Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| O2 | C33 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C9 | O6 | sing | 1.36Å | 1.41Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.38Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C36 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | N3 | sing | 1.46Å | 1.49Å | |
| C20 | C24 | sing | 1.53Å | 1.57Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.47Å | 1.45Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.46Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C22 | C23 | sing | 1.50Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | N3 | sing | 1.34Å | 1.39Å | |
| C23 | O5 | doub | 1.21Å | 1.22Å | |
| N3 | C26 | sing | 1.40Å | 1.40Å | |
| C24 | O6 | sing | 1.43Å | 1.41Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | O7 | sing | 1.36Å | 1.39Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| O7 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | C36 | sing | 1.53Å | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | N1 | sing | 1.47Å | 1.48Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | H1C1 | 109.5° | 109.4° |
| O1 | C1 | H1C2 | 109.5° | 109.5° |
| O1 | C1 | H1C3 | 109.5° | 109.4° |
| C1 | O1 | C2 | 111.7° | 106.8° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.5° | 109.5° |
| H1C2 | C1 | H1C3 | 109.5° | 109.4° |
| O1 | C2 | C3 | 120.8° | 120.0° |
| O1 | C2 | C5 | 119.0° | 120.1° |
| C3 | C2 | C5 | 120.2° | 119.9° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | C8 | 118.7° | 119.9° |
| C2 | C5 | C6 | 120.0° | 120.0° |
| C2 | C5 | H5 | 120.0° | 120.0° |
| C4 | C3 | C8 | 120.8° | 120.1° |
| C3 | C4 | O2 | 112.7° | 109.5° |
| C3 | C4 | H4C1 | 107.7° | 109.5° |
| C3 | C4 | H4C2 | 108.4° | 109.5° |
| C3 | C8 | C7 | 121.1° | 120.1° |
| C3 | C8 | H8 | 119.4° | 120.0° |
| O2 | C4 | H4C1 | 107.7° | 109.4° |
| O2 | C4 | H4C2 | 108.4° | 109.5° |
| C4 | O2 | C33 | 115.9° | 106.8° |
| H4C1 | C4 | H4C2 | 112.0° | 109.5° |
| O2 | C33 | C32 | 112.1° | 109.5° |
| O2 | C33 | H331 | 108.0° | 109.4° |
| O2 | C33 | H332 | 108.6° | 109.5° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.1° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C8 | C7 | H7 | 120.1° | 119.9° |
| C7 | C8 | H8 | 119.5° | 119.9° |
| C10 | C9 | C14 | 118.7° | 119.7° |
| C10 | C9 | O6 | 113.7° | 120.1° |
| C9 | C10 | C11 | 121.9° | 120.0° |
| C9 | C10 | H10 | 119.1° | 120.0° |
| C14 | C9 | O6 | 127.6° | 120.2° |
| C9 | C14 | C13 | 120.1° | 120.2° |
| C9 | C14 | H14 | 119.9° | 119.9° |
| C9 | O6 | C24 | 121.5° | 106.8° |
| C11 | C10 | H10 | 119.1° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.1° |
| C10 | C11 | N1 | 119.0° | 119.1° |
| C12 | C11 | N1 | 120.8° | 120.8° |
| C11 | C12 | C13 | 119.1° | 119.6° |
| C11 | C12 | C36 | 120.1° | 121.5° |
| C11 | N1 | C35 | 123.6° | 118.9° |
| C11 | N1 | H1 | 105.0° | 120.5° |
| C13 | C12 | C36 | 120.8° | 118.9° |
| C12 | C13 | C14 | 120.1° | 120.4° |
| C12 | C13 | H13 | 120.0° | 119.8° |
| C12 | C36 | C34 | 112.0° | 110.5° |
| C12 | C36 | H361 | 108.1° | 109.3° |
| C12 | C36 | H362 | 108.7° | 109.2° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C21 | C20 | N3 | 117.1° | 109.6° |
| C21 | C20 | C24 | 106.9° | 109.4° |
| C21 | C20 | H20 | 107.4° | 109.5° |
| C20 | C21 | N2 | 116.1° | 108.9° |
| C20 | C21 | H211 | 105.8° | 109.6° |
| C20 | C21 | H212 | 107.3° | 109.6° |
| N3 | C20 | C24 | 113.0° | 109.4° |
| N3 | C20 | H20 | 100.4° | 109.5° |
| C20 | N3 | C23 | 125.1° | 122.0° |
| C20 | N3 | C26 | 117.5° | 119.0° |
| C24 | C20 | H20 | 111.9° | 109.4° |
| C20 | C24 | O6 | 106.0° | 109.5° |
| C20 | C24 | H241 | 111.4° | 109.5° |
| C20 | C24 | H242 | 110.6° | 109.5° |
| N2 | C21 | H211 | 105.8° | 109.6° |
| N2 | C21 | H212 | 107.3° | 109.5° |
| C21 | N2 | C22 | 126.1° | 106.5° |
| C21 | N2 | H2 | 104.2° | 106.7° |
| H211 | C21 | H212 | 114.8° | 109.6° |
| C22 | N2 | H2 | 104.3° | 106.7° |
| N2 | C22 | C23 | 116.4° | 110.4° |
| N2 | C22 | H221 | 105.6° | 109.3° |
| N2 | C22 | H222 | 107.2° | 109.4° |
| C23 | C22 | H221 | 105.6° | 109.5° |
| C23 | C22 | H222 | 107.2° | 109.2° |
| C22 | C23 | N3 | 119.1° | 122.5° |
| C22 | C23 | O5 | 116.9° | 118.7° |
| H221 | C22 | H222 | 115.1° | 109.1° |
| N3 | C23 | O5 | 123.9° | 118.8° |
| C23 | N3 | C26 | 117.3° | 119.0° |
| N3 | C26 | C25 | 119.9° | 120.0° |
| N3 | C26 | C27 | 121.0° | 120.1° |
| O6 | C24 | H241 | 111.4° | 109.4° |
| O6 | C24 | H242 | 110.7° | 109.5° |
| H241 | C24 | H242 | 106.8° | 109.4° |
| C26 | C25 | C30 | 119.9° | 120.0° |
| C26 | C25 | H25 | 120.0° | 119.9° |
| C25 | C26 | C27 | 119.1° | 119.9° |
| C30 | C25 | H25 | 120.1° | 120.1° |
| C25 | C30 | C29 | 120.6° | 120.0° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C26 | C27 | C28 | 120.6° | 120.0° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C28 | C27 | H27 | 119.7° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.1° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.4° | 120.0° |
| C28 | C29 | O7 | 123.2° | 120.0° |
| C30 | C29 | O7 | 117.4° | 120.0° |
| C29 | C30 | H30 | 119.7° | 120.0° |
| C29 | O7 | C31 | 119.7° | 106.8° |
| O7 | C31 | C32 | 108.4° | 109.5° |
| O7 | C31 | H311 | 110.1° | 109.4° |
| O7 | C31 | H312 | 109.9° | 109.5° |
| C32 | C31 | H311 | 110.1° | 109.5° |
| C32 | C31 | H312 | 109.8° | 109.5° |
| C31 | C32 | C33 | 115.1° | 109.5° |
| C31 | C32 | H321 | 106.4° | 109.4° |
| C31 | C32 | H322 | 107.6° | 109.5° |
| H311 | C31 | H312 | 108.6° | 109.4° |
| C33 | C32 | H321 | 106.3° | 109.5° |
| C33 | C32 | H322 | 107.6° | 109.5° |
| C32 | C33 | H331 | 108.0° | 109.5° |
| C32 | C33 | H332 | 108.6° | 109.5° |
| H321 | C32 | H322 | 114.0° | 109.4° |
| H331 | C33 | H332 | 111.5° | 109.5° |
| C35 | C34 | C36 | 111.3° | 108.9° |
| C35 | C34 | H341 | 108.4° | 109.6° |
| C35 | C34 | H342 | 108.8° | 109.6° |
| C34 | C35 | N1 | 111.1° | 107.8° |
| C34 | C35 | H351 | 108.6° | 109.8° |
| C34 | C35 | H352 | 108.9° | 109.8° |
| C36 | C34 | H341 | 108.4° | 109.5° |
| C36 | C34 | H342 | 108.9° | 109.6° |
| C34 | C36 | H361 | 108.1° | 109.3° |
| C34 | C36 | H362 | 108.6° | 109.3° |
| H341 | C34 | H342 | 111.0° | 109.7° |
| N1 | C35 | H351 | 108.5° | 109.8° |
| N1 | C35 | H352 | 109.0° | 109.8° |
| C35 | N1 | H1 | 105.0° | 120.6° |
| H351 | C35 | H352 | 110.7° | 109.8° |
| H361 | C36 | H362 | 111.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | H1C1 | H1C2 | 120.0° | 120.1° |
| O1 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| O1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | O1 | C2 | C3 | 97.2° | 179.8° |
| C1 | O1 | C2 | C5 | 83.1° | 0.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| H1C1 | C1 | O1 | C2 | 170.5° | 60.0° |
| H1C2 | C1 | O1 | C2 | 69.5° | 60.0° |
| H1C3 | C1 | O1 | C2 | 50.5° | 180.0° |
| O1 | C2 | C3 | C5 | 179.7° | 179.7° |
| O1 | C2 | C3 | C4 | 0.5° | 0.3° |
| O1 | C2 | C3 | C8 | 179.7° | 179.7° |
| O1 | C2 | C5 | C6 | 179.7° | 180.0° |
| O1 | C2 | C5 | H5 | 0.3° | 0.0° |
| C2 | C3 | C4 | C8 | 179.8° | 179.4° |
| C2 | C3 | C4 | O2 | 134.8° | 179.4° |
| C2 | C3 | C4 | H4C1 | 16.2° | 60.6° |
| C2 | C3 | C4 | H4C2 | 105.2° | 59.4° |
| C3 | C2 | C5 | C6 | 0.0° | 0.3° |
| C3 | C2 | C5 | H5 | 180.0° | 179.7° |
| C2 | C3 | C8 | C7 | 0.0° | 0.6° |
| C2 | C3 | C8 | H8 | 180.0° | 179.7° |
| C5 | C2 | C3 | C4 | 179.7° | 180.0° |
| C5 | C2 | C3 | C8 | 0.1° | 0.6° |
| C2 | C5 | C6 | H5 | 180.0° | 180.0° |
| C2 | C5 | C6 | C7 | 0.1° | 0.0° |
| C2 | C5 | C6 | H6 | 179.9° | 180.0° |
| C3 | C4 | O2 | H4C1 | 118.6° | 120.0° |
| C3 | C4 | O2 | H4C2 | 120.0° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 119.1° | 120.0° |
| C3 | C4 | O2 | C33 | 100.2° | 180.0° |
| C4 | C3 | C8 | C7 | 179.8° | 180.0° |
| C4 | C3 | C8 | H8 | 0.2° | 0.3° |
| C8 | C3 | C4 | O2 | 45.4° | 0.0° |
| C8 | C3 | C4 | H4C1 | 164.0° | 120.0° |
| C8 | C3 | C4 | H4C2 | 74.6° | 120.0° |
| C3 | C8 | C7 | C6 | 0.1° | 0.3° |
| C3 | C8 | C7 | H8 | 180.0° | 179.7° |
| C3 | C8 | C7 | H7 | 179.8° | 179.7° |
| O2 | C4 | H4C1 | H4C2 | 119.1° | 120.0° |
| C4 | O2 | C33 | C32 | 103.1° | 180.0° |
| C4 | O2 | C33 | H331 | 138.1° | 60.0° |
| C4 | O2 | C33 | H332 | 17.0° | 60.0° |
| H4C1 | C4 | O2 | C33 | 18.4° | 60.0° |
| H4C2 | C4 | O2 | C33 | 139.8° | 60.0° |
| O2 | C33 | C32 | C31 | 91.2° | 180.0° |
| O2 | C33 | C32 | H331 | 118.9° | 120.0° |
| O2 | C33 | C32 | H332 | 120.0° | 120.0° |
| O2 | C33 | C32 | H321 | 151.3° | 60.0° |
| O2 | C33 | C32 | H322 | 28.8° | 60.0° |
| O2 | C33 | H331 | H332 | 119.3° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| H6 | C6 | C7 | C8 | 179.8° | 180.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| C10 | C9 | C14 | O6 | 179.2° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 0.3° | 0.3° |
| C9 | C10 | C11 | N1 | 179.6° | 179.9° |
| C10 | C9 | C14 | C13 | 0.1° | 0.4° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C10 | C9 | O6 | C24 | 178.0° | 179.7° |
| C14 | C9 | C10 | C11 | 0.2° | 0.5° |
| C14 | C9 | C10 | H10 | 179.8° | 179.7° |
| C9 | C14 | C13 | C12 | 0.2° | 0.1° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C9 | C14 | C13 | H13 | 179.8° | 179.8° |
| C14 | C9 | O6 | C24 | 1.2° | 0.0° |
| O6 | C9 | C10 | C11 | 179.1° | 179.8° |
| O6 | C9 | C10 | H10 | 0.9° | 0.0° |
| O6 | C9 | C14 | C13 | 179.3° | 179.9° |
| O6 | C9 | C14 | H14 | 0.7° | 0.0° |
| C9 | O6 | C24 | C20 | 91.2° | 180.0° |
| C9 | O6 | C24 | H241 | 30.1° | 60.0° |
| C9 | O6 | C24 | H242 | 148.8° | 60.0° |
| C10 | C11 | C12 | N1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | C36 | 179.9° | 179.8° |
| C10 | C11 | N1 | C35 | 179.7° | 166.8° |
| C10 | C11 | N1 | H1 | 59.7° | 13.2° |
| H10 | C10 | C11 | C12 | 179.7° | 179.9° |
| H10 | C10 | C11 | N1 | 0.3° | 0.2° |
| C11 | C12 | C13 | C36 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C11 | C12 | C36 | C34 | 25.1° | 20.6° |
| C12 | C11 | N1 | C35 | 0.3° | 13.5° |
| C12 | C11 | N1 | H1 | 120.3° | 166.6° |
| C11 | C12 | C36 | H361 | 93.9° | 99.7° |
| C11 | C12 | C36 | H362 | 145.1° | 140.8° |
| N1 | C11 | C12 | C13 | 179.8° | 179.7° |
| N1 | C11 | C12 | C36 | 0.1° | 0.4° |
| C11 | N1 | C35 | C34 | 25.7° | 44.7° |
| C11 | N1 | C35 | H1 | 120.0° | 179.9° |
| C11 | N1 | C35 | H351 | 93.6° | 74.8° |
| C11 | N1 | C35 | H352 | 145.7° | 164.3° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.7° | 180.0° |
| C13 | C12 | C36 | C34 | 155.0° | 159.5° |
| C13 | C12 | C36 | H361 | 86.0° | 80.2° |
| C13 | C12 | C36 | H362 | 35.0° | 39.3° |
| C36 | C12 | C13 | C14 | 179.8° | 179.7° |
| C36 | C12 | C13 | H13 | 0.2° | 0.2° |
| C12 | C36 | C34 | C35 | 49.3° | 51.4° |
| C12 | C36 | C34 | H361 | 119.0° | 120.3° |
| C12 | C36 | C34 | H362 | 120.0° | 120.2° |
| C12 | C36 | C34 | H341 | 69.9° | 171.2° |
| C12 | C36 | C34 | H342 | 169.2° | 68.4° |
| C12 | C36 | H361 | H362 | 119.3° | 119.4° |
| H13 | C13 | C14 | H14 | 0.3° | 0.1° |
| C21 | C20 | N3 | C24 | 124.9° | 120.0° |
| C21 | C20 | N3 | H20 | 115.8° | 120.1° |
| C21 | C20 | C24 | H20 | 117.3° | 120.0° |
| C20 | C21 | N2 | H211 | 117.0° | 119.9° |
| C20 | C21 | N2 | H212 | 120.0° | 119.8° |
| C20 | C21 | H211 | H212 | 118.2° | 120.3° |
| C20 | C21 | N2 | C22 | 1.9° | 72.6° |
| C20 | C21 | N2 | H2 | 118.1° | 173.7° |
| C21 | C20 | N3 | C23 | 0.5° | 16.7° |
| C21 | C20 | N3 | C26 | 179.4° | 163.7° |
| C21 | C20 | C24 | O6 | 74.5° | 55.8° |
| C21 | C20 | C24 | H241 | 164.1° | 175.8° |
| C21 | C20 | C24 | H242 | 45.5° | 64.3° |
| N3 | C20 | C24 | H20 | 112.4° | 119.9° |
| N3 | C20 | C21 | N2 | 0.6° | 52.1° |
| N3 | C20 | C21 | H211 | 116.4° | 67.8° |
| N3 | C20 | C21 | H212 | 120.6° | 171.8° |
| C20 | N3 | C23 | C22 | 0.4° | 1.1° |
| C20 | N3 | C23 | C26 | 179.9° | 179.7° |
| C20 | N3 | C23 | O5 | 179.8° | 179.3° |
| N3 | C20 | C24 | O6 | 155.2° | 64.3° |
| N3 | C20 | C24 | H241 | 33.9° | 55.7° |
| N3 | C20 | C24 | H242 | 84.7° | 175.6° |
| C20 | N3 | C26 | C25 | 73.0° | 112.5° |
| C20 | N3 | C26 | C27 | 106.4° | 67.6° |
| C24 | C20 | C21 | N2 | 127.3° | 172.0° |
| C24 | C20 | C21 | H211 | 115.7° | 52.2° |
| C24 | C20 | C21 | H212 | 7.3° | 68.2° |
| C24 | C20 | N3 | C23 | 125.4° | 136.7° |
| C24 | C20 | N3 | C26 | 54.6° | 43.7° |
| C20 | C24 | O6 | H241 | 121.3° | 120.0° |
| C20 | C24 | O6 | H242 | 120.0° | 120.0° |
| C20 | C24 | H241 | H242 | 120.9° | 120.0° |
| H20 | C20 | C21 | N2 | 112.4° | 68.1° |
| H20 | C20 | C21 | H211 | 4.6° | 172.1° |
| H20 | C20 | C21 | H212 | 127.6° | 51.7° |
| H20 | C20 | N3 | C23 | 115.3° | 103.5° |
| H20 | C20 | N3 | C26 | 64.8° | 76.2° |
| H20 | C20 | C24 | O6 | 42.8° | 175.8° |
| H20 | C20 | C24 | H241 | 78.6° | 64.3° |
| H20 | C20 | C24 | H242 | 162.8° | 55.7° |
| N2 | C21 | H211 | H212 | 118.1° | 120.2° |
| C21 | N2 | C22 | H2 | 120.0° | 113.8° |
| C21 | N2 | C22 | C23 | 2.0° | 54.2° |
| C21 | N2 | C22 | H221 | 114.8° | 66.3° |
| C21 | N2 | C22 | H222 | 122.0° | 174.3° |
| H211 | C21 | N2 | C22 | 115.1° | 47.4° |
| H211 | C21 | N2 | H2 | 124.9° | 66.4° |
| H212 | C21 | N2 | C22 | 121.9° | 167.6° |
| H212 | C21 | N2 | H2 | 1.9° | 53.9° |
| N2 | C22 | C23 | H221 | 116.8° | 120.3° |
| N2 | C22 | C23 | H222 | 120.0° | 120.2° |
| N2 | C22 | H221 | H222 | 118.1° | 119.5° |
| N2 | C22 | C23 | N3 | 0.7° | 20.1° |
| N2 | C22 | C23 | O5 | 179.0° | 160.3° |
| H2 | N2 | C22 | C23 | 118.0° | 167.9° |
| H2 | N2 | C22 | H221 | 125.2° | 47.5° |
| H2 | N2 | C22 | H222 | 2.0° | 71.9° |
| C23 | C22 | H221 | H222 | 118.0° | 119.5° |
| C22 | C23 | N3 | O5 | 179.7° | 179.6° |
| C22 | C23 | N3 | C26 | 179.5° | 179.2° |
| H221 | C22 | C23 | N3 | 116.1° | 100.2° |
| H221 | C22 | C23 | O5 | 64.2° | 79.4° |
| H222 | C22 | C23 | N3 | 120.7° | 140.4° |
| H222 | C22 | C23 | O5 | 59.0° | 40.1° |
| C23 | N3 | C26 | C25 | 107.1° | 67.8° |
| C23 | N3 | C26 | C27 | 73.6° | 112.1° |
| O5 | C23 | N3 | C26 | 0.2° | 0.4° |
| N3 | C26 | C25 | C27 | 179.4° | 179.9° |
| N3 | C26 | C25 | C30 | 179.4° | 180.0° |
| N3 | C26 | C25 | H25 | 0.6° | 0.0° |
| N3 | C26 | C27 | C28 | 179.4° | 179.8° |
| N3 | C26 | C27 | H27 | 0.6° | 0.0° |
| O6 | C24 | H241 | H242 | 120.9° | 120.0° |
| C26 | C25 | C30 | H25 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.1° |
| C26 | C25 | C30 | H30 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.3° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | O7 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.9° | 180.0° |
| H25 | C25 | C30 | C29 | 179.9° | 180.0° |
| H25 | C25 | C30 | H30 | 0.1° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.0° | 0.5° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.6° |
| C27 | C28 | C29 | C30 | 0.0° | 0.5° |
| C27 | C28 | C29 | O7 | 179.9° | 179.8° |
| H27 | C27 | C28 | C29 | 180.0° | 179.8° |
| H27 | C27 | C28 | H28 | 0.0° | 0.2° |
| C28 | C29 | C30 | O7 | 179.9° | 179.7° |
| C28 | C29 | C30 | H30 | 179.9° | 179.8° |
| C28 | C29 | O7 | C31 | 24.3° | 0.3° |
| H28 | C28 | C29 | C30 | 180.0° | 179.9° |
| H28 | C28 | C29 | O7 | 0.1° | 0.2° |
| C30 | C29 | O7 | C31 | 155.7° | 180.0° |
| O7 | C29 | C30 | H30 | 0.1° | 0.1° |
| C29 | O7 | C31 | C32 | 175.0° | 180.0° |
| C29 | O7 | C31 | H311 | 54.5° | 60.0° |
| C29 | O7 | C31 | H312 | 65.0° | 59.9° |
| O7 | C31 | C32 | H311 | 120.5° | 120.0° |
| O7 | C31 | C32 | H312 | 120.0° | 120.1° |
| O7 | C31 | H311 | H312 | 120.3° | 120.0° |
| O7 | C31 | C32 | C33 | 43.8° | 180.0° |
| O7 | C31 | C32 | H321 | 73.6° | 60.0° |
| O7 | C31 | C32 | H322 | 163.8° | 59.9° |
| C32 | C31 | H311 | H312 | 120.3° | 120.0° |
| C31 | C32 | C33 | H321 | 117.5° | 120.0° |
| C31 | C32 | C33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 118.4° | 119.9° |
| C31 | C32 | C33 | H331 | 149.9° | 60.0° |
| C31 | C32 | C33 | H332 | 28.8° | 60.0° |
| H311 | C31 | C32 | C33 | 164.3° | 60.0° |
| H311 | C31 | C32 | H321 | 46.8° | 180.0° |
| H311 | C31 | C32 | H322 | 75.7° | 60.0° |
| H312 | C31 | C32 | C33 | 76.2° | 60.0° |
| H312 | C31 | C32 | H321 | 166.4° | 60.1° |
| H312 | C31 | C32 | H322 | 43.8° | 180.0° |
| C33 | C32 | H321 | H322 | 118.4° | 120.0° |
| C32 | C33 | H331 | H332 | 119.3° | 120.1° |
| H321 | C32 | C33 | H331 | 32.4° | 180.0° |
| H321 | C32 | C33 | H332 | 88.7° | 60.0° |
| H322 | C32 | C33 | H331 | 90.1° | 60.0° |
| H322 | C32 | C33 | H332 | 148.8° | 180.0° |
| C35 | C34 | C36 | H341 | 119.2° | 119.8° |
| C35 | C34 | C36 | H342 | 120.0° | 119.8° |
| C35 | C34 | H341 | H342 | 119.5° | 120.3° |
| C34 | C35 | N1 | H351 | 119.3° | 119.5° |
| C34 | C35 | N1 | H352 | 120.0° | 119.6° |
| C34 | C35 | H351 | H352 | 119.6° | 120.9° |
| C34 | C35 | N1 | H1 | 145.7° | 135.4° |
| C35 | C34 | C36 | H361 | 69.7° | 68.9° |
| C35 | C34 | C36 | H362 | 169.3° | 171.5° |
| C36 | C34 | H341 | H342 | 119.5° | 120.3° |
| C36 | C34 | C35 | N1 | 49.2° | 63.3° |
| C36 | C34 | C35 | H351 | 70.1° | 56.3° |
| C36 | C34 | C35 | H352 | 169.2° | 177.1° |
| C34 | C36 | H361 | H362 | 119.3° | 119.6° |
| H341 | C34 | C35 | N1 | 70.0° | 177.0° |
| H341 | C34 | C35 | H351 | 170.7° | 63.5° |
| H341 | C34 | C35 | H352 | 50.0° | 57.4° |
| H341 | C34 | C36 | H361 | 171.1° | 50.9° |
| H341 | C34 | C36 | H362 | 50.1° | 68.7° |
| H342 | C34 | C35 | N1 | 169.2° | 56.6° |
| H342 | C34 | C35 | H351 | 49.9° | 176.1° |
| H342 | C34 | C35 | H352 | 70.8° | 63.0° |
| H342 | C34 | C36 | H361 | 50.3° | 171.3° |
| H342 | C34 | C36 | H362 | 70.7° | 51.7° |
| N1 | C35 | H351 | H352 | 119.6° | 120.8° |
| H351 | C35 | N1 | H1 | 26.4° | 105.1° |
| H352 | C35 | N1 | H1 | 94.3° | 15.8° |
