R6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.42Å | |
| C | C28 | sing | 1.53Å | 1.53Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| O | HO1 | sing | 0.97Å | 0.95Å | |
| N | C6 | sing | 1.40Å | 1.47Å | |
| N | C31 | sing | 1.46Å | 1.47Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| N1 | C29 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | HA | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.40Å | 1.45Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.41Å | |
| C3 | C4 | doub | 1.39Å | 1.44Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.45Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | C21 | sing | 1.51Å | 1.54Å | |
| C7 | C8 | doub | 1.38Å | 1.45Å | |
| C7 | C14 | sing | 1.47Å | 1.41Å | |
| C8 | C9 | sing | 1.48Å | 1.45Å | |
| C8 | C13 | sing | 1.47Å | 1.44Å | |
| C9 | O1 | sing | 1.36Å | 1.41Å | |
| C9 | C10 | doub | 1.33Å | 1.41Å | |
| C10 | C11 | sing | 1.50Å | 1.42Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.50Å | 1.43Å | |
| C12 | C13 | doub | 1.33Å | 1.41Å | |
| C12 | C20 | sing | 1.51Å | 1.54Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C19 | doub | 1.41Å | 1.46Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C23 | sing | 1.48Å | 1.53Å | |
| C18 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C22 | sing | 1.47Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | O2 | sing | 1.35Å | 1.25Å | |
| C22 | O3 | doub | 1.21Å | 1.25Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C23 | O4 | doub | 1.22Å | 1.25Å | |
| C23 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C24 | sing | 1.46Å | 1.48Å | |
| N2 | HB | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C28 | 109.6° | 109.4° |
| O | C | HC1 | 109.4° | 109.5° |
| O | C | HC2 | 109.4° | 109.4° |
| C | O | HO1 | 109.5° | 114.0° |
| C28 | C | HC1 | 109.4° | 109.5° |
| C28 | C | HC2 | 109.4° | 109.5° |
| C | C28 | C27 | 110.0° | 109.4° |
| C | C28 | H281 | 109.3° | 109.5° |
| C | C28 | H282 | 109.2° | 109.5° |
| HC1 | C | HC2 | 109.6° | 109.5° |
| C6 | N | C31 | 120.6° | 120.0° |
| C6 | N | H | 105.9° | 120.0° |
| N | C6 | C1 | 120.4° | 119.8° |
| N | C6 | C5 | 119.5° | 119.8° |
| C31 | N | H | 105.9° | 120.0° |
| N | C31 | C32 | 109.6° | 109.5° |
| N | C31 | H311 | 109.4° | 109.5° |
| N | C31 | H312 | 109.4° | 109.5° |
| C11 | N1 | C29 | 120.7° | 111.0° |
| C11 | N1 | H1 | 105.9° | 111.0° |
| N1 | C11 | C10 | 120.4° | 108.9° |
| N1 | C11 | H11 | 107.5° | 108.8° |
| N1 | C11 | C12 | 119.4° | 108.9° |
| C29 | N1 | H1 | 105.8° | 111.0° |
| N1 | C29 | C30 | 110.4° | 109.5° |
| N1 | C29 | H291 | 109.2° | 109.5° |
| N1 | C29 | H292 | 108.9° | 109.4° |
| C2 | C1 | C6 | 120.3° | 120.0° |
| C2 | C1 | HA | 119.8° | 120.0° |
| C1 | C2 | C3 | 119.9° | 119.5° |
| C1 | C2 | O1 | 120.0° | 119.8° |
| C6 | C1 | HA | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.4° |
| C3 | C2 | O1 | 120.1° | 120.7° |
| C2 | C3 | C4 | 119.3° | 120.2° |
| C2 | C3 | C7 | 119.7° | 119.5° |
| C2 | O1 | C9 | 121.0° | 118.1° |
| C4 | C3 | C7 | 121.0° | 120.3° |
| C3 | C4 | C5 | 119.9° | 119.8° |
| C3 | C4 | H4 | 120.0° | 120.1° |
| C3 | C7 | C8 | 119.4° | 116.6° |
| C3 | C7 | C14 | 120.2° | 121.6° |
| C5 | C4 | H4 | 120.1° | 120.1° |
| C4 | C5 | C6 | 120.4° | 120.1° |
| C4 | C5 | C21 | 119.8° | 119.9° |
| C6 | C5 | C21 | 119.8° | 119.9° |
| C5 | C21 | H211 | 109.5° | 109.5° |
| C5 | C21 | H212 | 109.5° | 109.5° |
| C5 | C21 | H213 | 109.5° | 109.5° |
| C8 | C7 | C14 | 120.4° | 121.7° |
| C7 | C8 | C9 | 119.6° | 118.8° |
| C7 | C8 | C13 | 121.0° | 123.1° |
| C7 | C14 | C15 | 119.9° | 120.1° |
| C7 | C14 | C19 | 120.8° | 120.1° |
| C9 | C8 | C13 | 119.3° | 118.1° |
| C8 | C9 | O1 | 120.2° | 119.0° |
| C8 | C9 | C10 | 119.9° | 118.5° |
| C8 | C13 | C12 | 119.9° | 118.1° |
| C8 | C13 | H13 | 120.1° | 120.9° |
| O1 | C9 | C10 | 119.9° | 122.4° |
| C9 | C10 | C11 | 120.3° | 121.2° |
| C9 | C10 | H10 | 119.9° | 119.3° |
| C11 | C10 | H10 | 119.8° | 119.4° |
| C10 | C11 | H11 | 14.2° | 108.8° |
| C10 | C11 | C12 | 120.2° | 112.7° |
| H11 | C11 | C12 | 132.7° | 108.7° |
| C11 | C12 | C13 | 120.4° | 121.9° |
| C11 | C12 | C20 | 119.8° | 119.1° |
| C13 | C12 | C20 | 119.8° | 119.0° |
| C12 | C13 | H13 | 120.0° | 121.0° |
| C12 | C20 | H201 | 109.5° | 109.5° |
| C12 | C20 | H202 | 109.5° | 109.5° |
| C12 | C20 | H203 | 109.5° | 109.5° |
| C15 | C14 | C19 | 119.3° | 119.8° |
| C14 | C15 | C16 | 120.3° | 120.3° |
| C14 | C15 | H15 | 119.8° | 119.8° |
| C14 | C19 | C18 | 119.1° | 119.5° |
| C14 | C19 | C22 | 121.2° | 120.2° |
| C16 | C15 | H15 | 119.9° | 119.9° |
| C15 | C16 | C17 | 120.7° | 120.5° |
| C15 | C16 | H16 | 119.7° | 119.8° |
| C17 | C16 | H16 | 119.7° | 119.8° |
| C16 | C17 | C18 | 120.4° | 120.2° |
| C16 | C17 | C23 | 120.3° | 119.9° |
| C18 | C17 | C23 | 119.3° | 119.9° |
| C17 | C18 | C19 | 120.2° | 119.7° |
| C17 | C18 | H18 | 119.9° | 120.2° |
| C17 | C23 | O4 | 119.5° | 120.0° |
| C17 | C23 | N2 | 120.6° | 120.0° |
| C19 | C18 | H18 | 119.9° | 120.1° |
| C18 | C19 | C22 | 119.7° | 120.3° |
| C19 | C22 | O2 | 119.8° | 120.0° |
| C19 | C22 | O3 | 120.5° | 120.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.4° |
| O2 | C22 | O3 | 119.7° | 120.0° |
| C22 | O2 | H2 | 109.5° | 117.0° |
| O4 | C23 | N2 | 119.9° | 120.0° |
| C23 | N2 | C24 | 120.1° | 120.0° |
| C23 | N2 | HB | 120.0° | 120.0° |
| C24 | N2 | HB | 119.9° | 120.0° |
| N2 | C24 | C25 | 110.5° | 109.5° |
| N2 | C24 | H241 | 109.1° | 109.4° |
| N2 | C24 | H242 | 108.9° | 109.4° |
| C25 | C24 | H241 | 109.2° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.5° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C24 | C25 | H251 | 108.9° | 109.5° |
| C24 | C25 | H252 | 108.6° | 109.5° |
| H241 | C24 | H242 | 110.2° | 109.4° |
| C26 | C25 | H251 | 108.9° | 109.4° |
| C26 | C25 | H252 | 108.5° | 109.5° |
| C25 | C26 | C27 | 110.9° | 109.4° |
| C25 | C26 | H261 | 109.0° | 109.4° |
| C25 | C26 | H262 | 108.6° | 109.4° |
| H251 | C25 | H252 | 110.8° | 109.4° |
| C27 | C26 | H261 | 109.0° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.5° |
| C26 | C27 | C28 | 109.7° | 109.4° |
| C26 | C27 | H271 | 109.4° | 109.5° |
| C26 | C27 | H272 | 109.3° | 109.5° |
| H261 | C26 | H262 | 110.7° | 109.5° |
| C28 | C27 | H271 | 109.4° | 109.4° |
| C28 | C27 | H272 | 109.3° | 109.4° |
| C27 | C28 | H281 | 109.3° | 109.5° |
| C27 | C28 | H282 | 109.2° | 109.4° |
| H271 | C27 | H272 | 109.7° | 109.5° |
| H281 | C28 | H282 | 109.9° | 109.5° |
| C30 | C29 | H291 | 109.1° | 109.5° |
| C30 | C29 | H292 | 109.0° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.4° |
| H291 | C29 | H292 | 110.2° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| C32 | C31 | H311 | 109.4° | 109.4° |
| C32 | C31 | H312 | 109.4° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C28 | HC1 | 120.0° | 120.0° |
| O | C | C28 | HC2 | 120.0° | 119.9° |
| O | C | HC1 | HC2 | 120.0° | 120.0° |
| O | C | C28 | C27 | 161.6° | 180.0° |
| O | C | C28 | H281 | 41.6° | 60.0° |
| O | C | C28 | H282 | 78.6° | 60.1° |
| C28 | C | HC1 | HC2 | 120.0° | 120.1° |
| C28 | C | O | HO1 | 48.2° | 180.0° |
| C | C28 | C27 | C26 | 62.9° | 180.0° |
| C | C28 | C27 | H281 | 120.0° | 120.0° |
| C | C28 | C27 | H282 | 119.8° | 120.0° |
| C | C28 | C27 | H271 | 177.1° | 60.0° |
| C | C28 | C27 | H272 | 57.0° | 60.0° |
| C | C28 | H281 | H282 | 119.8° | 120.0° |
| HC1 | C | O | HO1 | 168.2° | 60.0° |
| HC1 | C | C28 | C27 | 78.4° | 60.0° |
| HC1 | C | C28 | H281 | 161.6° | 180.0° |
| HC1 | C | C28 | H282 | 41.4° | 59.9° |
| HC2 | C | O | HO1 | 71.8° | 60.0° |
| HC2 | C | C28 | C27 | 41.6° | 60.1° |
| HC2 | C | C28 | H281 | 78.4° | 59.9° |
| HC2 | C | C28 | H282 | 161.4° | 180.0° |
| C6 | N | C31 | H | 120.0° | 180.0° |
| N | C6 | C1 | C2 | 180.0° | 180.0° |
| N | C6 | C1 | C5 | 180.0° | 180.0° |
| N | C6 | C1 | HA | 0.0° | 0.3° |
| N | C6 | C5 | C4 | 180.0° | 179.7° |
| N | C6 | C5 | C21 | 0.0° | 0.3° |
| C6 | N | C31 | C32 | 179.5° | 180.0° |
| C6 | N | C31 | H311 | 59.5° | 60.0° |
| C6 | N | C31 | H312 | 60.5° | 60.0° |
| C31 | N | C6 | C1 | 0.2° | 0.0° |
| C31 | N | C6 | C5 | 179.8° | 180.0° |
| N | C31 | C32 | H311 | 120.0° | 120.0° |
| N | C31 | C32 | H312 | 120.0° | 120.0° |
| N | C31 | H311 | H312 | 119.9° | 120.0° |
| N | C31 | C32 | H321 | 2.7° | 60.0° |
| N | C31 | C32 | H322 | 122.8° | 60.0° |
| N | C31 | C32 | H323 | 117.2° | 180.0° |
| H | N | C6 | C1 | 120.2° | 180.0° |
| H | N | C6 | C5 | 59.8° | 0.0° |
| H | N | C31 | C32 | 60.5° | 0.0° |
| H | N | C31 | H311 | 179.5° | 120.0° |
| H | N | C31 | H312 | 59.5° | 120.0° |
| C11 | N1 | C29 | H1 | 120.0° | 124.0° |
| N1 | C11 | C10 | C9 | 180.0° | 95.0° |
| N1 | C11 | C10 | H11 | 26.2° | 118.4° |
| N1 | C11 | C10 | C12 | 179.9° | 120.9° |
| N1 | C11 | C10 | H10 | 0.0° | 84.9° |
| N1 | C11 | H11 | C12 | 172.4° | 118.4° |
| N1 | C11 | C12 | C13 | 180.0° | 95.5° |
| N1 | C11 | C12 | C20 | 0.1° | 84.5° |
| C11 | N1 | C29 | C30 | 62.3° | 180.0° |
| C11 | N1 | C29 | H291 | 177.7° | 60.0° |
| C11 | N1 | C29 | H292 | 57.3° | 60.0° |
| C29 | N1 | C11 | C10 | 0.6° | 84.9° |
| C29 | N1 | C11 | H11 | 5.9° | 33.5° |
| C29 | N1 | C11 | C12 | 179.5° | 151.8° |
| N1 | C29 | C30 | H291 | 120.0° | 120.0° |
| N1 | C29 | C30 | H292 | 119.6° | 119.9° |
| N1 | C29 | H291 | H292 | 119.6° | 119.9° |
| N1 | C29 | C30 | H301 | 1.8° | 60.0° |
| N1 | C29 | C30 | H302 | 118.2° | 60.0° |
| N1 | C29 | C30 | H303 | 121.8° | 179.9° |
| H1 | N1 | C11 | C10 | 120.5° | 151.0° |
| H1 | N1 | C11 | H11 | 114.0° | 90.6° |
| H1 | N1 | C11 | C12 | 59.5° | 27.8° |
| H1 | N1 | C29 | C30 | 57.7° | 56.0° |
| H1 | N1 | C29 | H291 | 62.3° | 176.0° |
| H1 | N1 | C29 | H292 | 177.3° | 64.0° |
| C2 | C1 | C6 | HA | 180.0° | 179.7° |
| C1 | C2 | C3 | O1 | 179.9° | 179.2° |
| C1 | C2 | C3 | C4 | 0.1° | 0.7° |
| C1 | C2 | C3 | C7 | 180.0° | 178.5° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C1 | C2 | O1 | C9 | 180.0° | 157.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C6 | C1 | C2 | O1 | 179.9° | 178.7° |
| C1 | C6 | C5 | C4 | 0.0° | 0.3° |
| C1 | C6 | C5 | C21 | 180.0° | 179.7° |
| HA | C1 | C2 | C3 | 179.9° | 179.8° |
| HA | C1 | C2 | O1 | 0.1° | 1.0° |
| HA | C1 | C6 | C5 | 180.0° | 179.7° |
| C2 | C3 | C4 | C7 | 179.9° | 179.2° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C2 | C3 | C4 | H4 | 179.9° | 179.5° |
| C2 | C3 | C7 | C8 | 0.0° | 10.1° |
| C2 | C3 | C7 | C14 | 180.0° | 169.8° |
| C3 | C2 | O1 | C9 | 0.1° | 23.8° |
| O1 | C2 | C3 | C4 | 180.0° | 178.5° |
| O1 | C2 | C3 | C7 | 0.1° | 2.3° |
| C2 | O1 | C9 | C8 | 0.0° | 32.3° |
| C2 | O1 | C9 | C10 | 180.0° | 145.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C5 | C21 | 180.0° | 180.0° |
| C4 | C3 | C7 | C8 | 180.0° | 169.1° |
| C4 | C3 | C7 | C14 | 0.0° | 11.0° |
| C7 | C3 | C4 | C5 | 180.0° | 178.8° |
| C7 | C3 | C4 | H4 | 0.0° | 1.2° |
| C3 | C7 | C8 | C14 | 180.0° | 179.9° |
| C3 | C7 | C8 | C9 | 0.0° | 1.8° |
| C3 | C7 | C8 | C13 | 180.0° | 179.7° |
| C3 | C7 | C14 | C15 | 77.8° | 105.0° |
| C3 | C7 | C14 | C19 | 102.1° | 74.8° |
| C4 | C5 | C6 | C21 | 180.0° | 180.0° |
| C4 | C5 | C21 | H211 | 0.3° | 90.0° |
| C4 | C5 | C21 | H212 | 119.7° | 150.0° |
| C4 | C5 | C21 | H213 | 120.2° | 30.0° |
| H4 | C4 | C5 | C6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C21 | 0.0° | 0.0° |
| C6 | C5 | C21 | H211 | 179.8° | 90.0° |
| C6 | C5 | C21 | H212 | 60.3° | 30.0° |
| C6 | C5 | C21 | H213 | 59.8° | 150.0° |
| C5 | C21 | H211 | H212 | 120.0° | 120.0° |
| C5 | C21 | H211 | H213 | 120.0° | 120.0° |
| C5 | C21 | H212 | H213 | 120.0° | 120.0° |
| C7 | C8 | C9 | C13 | 179.9° | 178.6° |
| C7 | C8 | C9 | O1 | 0.0° | 19.4° |
| C7 | C8 | C9 | C10 | 179.9° | 158.8° |
| C7 | C8 | C13 | C12 | 179.9° | 158.3° |
| C7 | C8 | C13 | H13 | 0.1° | 21.7° |
| C8 | C7 | C14 | C15 | 102.1° | 74.9° |
| C8 | C7 | C14 | C19 | 77.9° | 105.3° |
| C14 | C7 | C8 | C9 | 180.0° | 178.1° |
| C14 | C7 | C8 | C13 | 0.1° | 0.4° |
| C7 | C14 | C15 | C19 | 180.0° | 179.8° |
| C7 | C14 | C15 | C16 | 179.9° | 180.0° |
| C7 | C14 | C15 | H15 | 0.1° | 0.0° |
| C7 | C14 | C19 | C18 | 180.0° | 179.7° |
| C7 | C14 | C19 | C22 | 0.0° | 0.0° |
| C8 | C9 | O1 | C10 | 180.0° | 178.1° |
| C8 | C9 | C10 | C11 | 0.0° | 2.9° |
| C8 | C9 | C10 | H10 | 179.9° | 177.2° |
| C9 | C8 | C13 | C12 | 0.0° | 23.1° |
| C9 | C8 | C13 | H13 | 180.0° | 156.8° |
| C13 | C8 | C9 | O1 | 180.0° | 159.2° |
| C13 | C8 | C9 | C10 | 0.0° | 22.6° |
| C8 | C13 | C12 | C11 | 0.0° | 1.8° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | C20 | 179.9° | 178.3° |
| O1 | C9 | C10 | C11 | 179.9° | 175.2° |
| O1 | C9 | C10 | H10 | 0.1° | 4.8° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 153.8° | 146.6° |
| C9 | C10 | C11 | C12 | 0.1° | 25.8° |
| C10 | C11 | H11 | C12 | 31.2° | 123.1° |
| C10 | C11 | C12 | C13 | 0.0° | 25.4° |
| C10 | C11 | C12 | C20 | 180.0° | 154.6° |
| H10 | C10 | C11 | H11 | 26.2° | 33.5° |
| H10 | C10 | C11 | C12 | 179.9° | 154.2° |
| H11 | C11 | C12 | C13 | 8.4° | 146.2° |
| H11 | C11 | C12 | C20 | 171.5° | 33.9° |
| C11 | C12 | C13 | C20 | 179.9° | 179.9° |
| C11 | C12 | C13 | H13 | 180.0° | 178.3° |
| C11 | C12 | C20 | H201 | 3.7° | 90.0° |
| C11 | C12 | C20 | H202 | 116.3° | 150.0° |
| C11 | C12 | C20 | H203 | 123.7° | 30.0° |
| C13 | C12 | C20 | H201 | 176.4° | 90.1° |
| C13 | C12 | C20 | H202 | 63.6° | 30.0° |
| C13 | C12 | C20 | H203 | 56.4° | 149.9° |
| C20 | C12 | C13 | H13 | 0.1° | 1.7° |
| C12 | C20 | H201 | H202 | 120.0° | 120.0° |
| C12 | C20 | H201 | H203 | 120.0° | 120.0° |
| C12 | C20 | H202 | H203 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C15 | C14 | C19 | C22 | 180.0° | 179.8° |
| C19 | C14 | C15 | C16 | 0.1° | 0.3° |
| C19 | C14 | C15 | H15 | 179.9° | 179.8° |
| C14 | C19 | C18 | C17 | 0.0° | 0.6° |
| C14 | C19 | C18 | C22 | 180.0° | 179.7° |
| C14 | C19 | C18 | H18 | 180.0° | 179.7° |
| C14 | C19 | C22 | O2 | 180.0° | 180.0° |
| C14 | C19 | C22 | O3 | 0.0° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | C23 | 180.0° | 180.0° |
| H15 | C15 | C16 | C17 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.1° |
| C16 | C17 | C18 | C23 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.3° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| C16 | C17 | C23 | O4 | 169.9° | 180.0° |
| C16 | C17 | C23 | N2 | 9.6° | 0.0° |
| H16 | C16 | C17 | C18 | 180.0° | 180.0° |
| H16 | C16 | C17 | C23 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C22 | 180.0° | 179.8° |
| C18 | C17 | C23 | O4 | 10.1° | 0.0° |
| C18 | C17 | C23 | N2 | 170.3° | 180.0° |
| C23 | C17 | C18 | C19 | 180.0° | 179.7° |
| C23 | C17 | C18 | H18 | 0.0° | 0.0° |
| C17 | C23 | O4 | N2 | 179.6° | 180.0° |
| C17 | C23 | N2 | C24 | 177.4° | 180.0° |
| C17 | C23 | N2 | HB | 2.7° | 0.0° |
| C18 | C19 | C22 | O2 | 0.0° | 0.3° |
| C18 | C19 | C22 | O3 | 180.0° | 179.7° |
| H18 | C18 | C19 | C22 | 0.1° | 0.0° |
| C19 | C22 | O2 | O3 | 180.0° | 179.9° |
| C19 | C22 | O2 | H2 | 180.0° | 180.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| O3 | C22 | O2 | H2 | 0.0° | 0.1° |
| O4 | C23 | N2 | C24 | 3.1° | 0.0° |
| O4 | C23 | N2 | HB | 176.9° | 180.0° |
| C23 | N2 | C24 | HB | 180.0° | 180.0° |
| C23 | N2 | C24 | C25 | 61.5° | 180.0° |
| C23 | N2 | C24 | H241 | 58.5° | 60.0° |
| C23 | N2 | C24 | H242 | 178.9° | 60.0° |
| N2 | C24 | C25 | H241 | 120.0° | 120.0° |
| N2 | C24 | C25 | H242 | 119.6° | 120.0° |
| N2 | C24 | H241 | H242 | 119.6° | 119.9° |
| N2 | C24 | C25 | C26 | 73.0° | 180.0° |
| N2 | C24 | C25 | H251 | 47.0° | 60.0° |
| N2 | C24 | C25 | H252 | 167.7° | 60.0° |
| HB | N2 | C24 | C25 | 118.5° | 0.0° |
| HB | N2 | C24 | H241 | 121.4° | 120.1° |
| HB | N2 | C24 | H242 | 1.1° | 120.0° |
| C25 | C24 | H241 | H242 | 119.6° | 120.1° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 119.3° | 120.0° |
| C24 | C25 | H251 | H252 | 119.3° | 120.1° |
| C24 | C25 | C26 | C27 | 61.4° | 180.0° |
| C24 | C25 | C26 | H261 | 178.6° | 60.0° |
| C24 | C25 | C26 | H262 | 58.0° | 60.0° |
| H241 | C24 | C25 | C26 | 167.0° | 60.0° |
| H241 | C24 | C25 | H251 | 73.0° | 180.0° |
| H241 | C24 | C25 | H252 | 47.7° | 60.0° |
| H242 | C24 | C25 | C26 | 46.6° | 60.0° |
| H242 | C24 | C25 | H251 | 166.6° | 60.0° |
| H242 | C24 | C25 | H252 | 72.7° | NaN° |
| C26 | C25 | H251 | H252 | 119.3° | 120.0° |
| C25 | C26 | C27 | H261 | 120.0° | 119.9° |
| C25 | C26 | C27 | H262 | 119.4° | 120.0° |
| C25 | C26 | H261 | H262 | 119.4° | 120.0° |
| C25 | C26 | C27 | C28 | 174.4° | 180.0° |
| C25 | C26 | C27 | H271 | 65.6° | 60.0° |
| C25 | C26 | C27 | H272 | 54.5° | 60.0° |
| H251 | C25 | C26 | C27 | 58.6° | 60.0° |
| H251 | C25 | C26 | H261 | 61.4° | 180.0° |
| H251 | C25 | C26 | H262 | 177.9° | 60.0° |
| H252 | C25 | C26 | C27 | 179.3° | 60.0° |
| H252 | C25 | C26 | H261 | 59.3° | 60.0° |
| H252 | C25 | C26 | H262 | 61.4° | 180.0° |
| C27 | C26 | H261 | H262 | 119.4° | 120.1° |
| C26 | C27 | C28 | H271 | 120.0° | 120.0° |
| C26 | C27 | C28 | H272 | 119.9° | 120.0° |
| C26 | C27 | H271 | H272 | 119.9° | 120.1° |
| C26 | C27 | C28 | H281 | 177.1° | 60.0° |
| C26 | C27 | C28 | H282 | 56.9° | 60.0° |
| H261 | C26 | C27 | C28 | 54.5° | 60.1° |
| H261 | C26 | C27 | H271 | 174.5° | 180.0° |
| H261 | C26 | C27 | H272 | 65.4° | 59.9° |
| H262 | C26 | C27 | C28 | 66.2° | 60.0° |
| H262 | C26 | C27 | H271 | 53.8° | 59.9° |
| H262 | C26 | C27 | H272 | 173.9° | 180.0° |
| C28 | C27 | H271 | H272 | 119.9° | 120.0° |
| C27 | C28 | H281 | H282 | 119.8° | 120.0° |
| H271 | C27 | C28 | H281 | 57.1° | 60.0° |
| H271 | C27 | C28 | H282 | 63.1° | 180.0° |
| H272 | C27 | C28 | H281 | 63.0° | 180.0° |
| H272 | C27 | C28 | H282 | 176.8° | 60.0° |
| C30 | C29 | H291 | H292 | 119.6° | 120.1° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 119.9° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| H291 | C29 | C30 | H301 | 121.8° | 180.0° |
| H291 | C29 | C30 | H302 | 1.8° | 60.0° |
| H291 | C29 | C30 | H303 | 118.2° | 60.1° |
| H292 | C29 | C30 | H301 | 117.8° | 60.0° |
| H292 | C29 | C30 | H302 | 122.2° | 180.0° |
| H292 | C29 | C30 | H303 | 2.2° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| C32 | C31 | H311 | H312 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 117.3° | 180.0° |
| H311 | C31 | C32 | H322 | 2.8° | 60.0° |
| H311 | C31 | C32 | H323 | 122.8° | 60.0° |
| H312 | C31 | C32 | H321 | 122.7° | 60.0° |
| H312 | C31 | C32 | H322 | 117.3° | 180.0° |
| H312 | C31 | C32 | H323 | 2.7° | 60.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
