001
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C01 | C10 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C02 | H021 | sing | 1.08Å | 1.10Å | |
| C03 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | O03 | sing | 1.36Å | 1.38Å | |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | O04 | sing | 1.36Å | 1.39Å | |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | O05 | sing | 1.36Å | 1.39Å | |
| C06 | H061 | sing | 1.08Å | 1.10Å | |
| O03 | C07 | sing | 1.43Å | 1.43Å | |
| C07 | H071 | sing | 1.09Å | 1.11Å | |
| C07 | H072 | sing | 1.09Å | 1.12Å | |
| C07 | H073 | sing | 1.09Å | 1.12Å | |
| O04 | C08 | sing | 1.43Å | 1.45Å | |
| C08 | H081 | sing | 1.09Å | 1.11Å | |
| C08 | H082 | sing | 1.09Å | 1.12Å | |
| C08 | H083 | sing | 1.09Å | 1.12Å | |
| O05 | C09 | sing | 1.43Å | 1.43Å | |
| C09 | H091 | sing | 1.09Å | 1.11Å | |
| C09 | H092 | sing | 1.09Å | 1.12Å | |
| C09 | H093 | sing | 1.09Å | 1.11Å | |
| C10 | F10 | sing | 1.40Å | 1.35Å | |
| C10 | F11 | sing | 1.40Å | 1.34Å | |
| C10 | C11 | sing | 1.51Å | 1.47Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C11 | N12 | sing | 1.35Å | 1.36Å | |
| N12 | C12 | sing | 1.47Å | 1.50Å | |
| N12 | C16 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C17 | O17 | doub | 1.21Å | 1.22Å | |
| C17 | O18 | sing | 1.34Å | 1.35Å | |
| O18 | C18 | sing | 1.45Å | 1.43Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C27 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | N23 | sing | 1.32Å | 1.35Å | Aromatic |
| C23 | H231 | sing | 1.08Å | 1.10Å | |
| N23 | C24 | doub | 1.32Å | 1.36Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H341 | sing | 1.08Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.7° | 120.2° |
| C02 | C01 | C10 | 122.0° | 120.0° |
| C01 | C02 | C03 | 119.7° | 120.1° |
| C01 | C02 | H021 | 119.7° | 119.9° |
| C06 | C01 | C10 | 118.2° | 119.9° |
| C01 | C06 | C05 | 120.8° | 120.1° |
| C01 | C06 | H061 | 119.9° | 120.0° |
| C01 | C10 | F10 | 112.0° | 109.5° |
| C01 | C10 | F11 | 106.4° | 109.5° |
| C01 | C10 | C11 | 115.0° | 109.4° |
| C03 | C02 | H021 | 120.5° | 119.9° |
| C02 | C03 | C04 | 120.3° | 119.9° |
| C02 | C03 | O03 | 120.2° | 120.1° |
| C04 | C03 | O03 | 119.5° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.8° |
| C03 | C04 | O04 | 120.5° | 120.1° |
| C03 | O03 | C07 | 119.7° | 106.8° |
| C05 | C04 | O04 | 119.4° | 120.1° |
| C04 | C05 | C06 | 119.5° | 119.9° |
| C04 | C05 | O05 | 119.5° | 120.0° |
| C04 | O04 | C08 | 118.1° | 106.8° |
| C06 | C05 | O05 | 121.0° | 120.0° |
| C05 | C06 | H061 | 119.4° | 119.9° |
| C05 | O05 | C09 | 119.8° | 106.8° |
| O03 | C07 | H071 | 119.7° | 109.4° |
| O03 | C07 | H072 | 108.6° | 109.5° |
| O03 | C07 | H073 | 108.6° | 109.5° |
| H071 | C07 | H072 | 108.6° | 109.5° |
| H071 | C07 | H073 | 108.5° | 109.4° |
| H072 | C07 | H073 | 101.4° | 109.5° |
| O04 | C08 | H081 | 118.2° | 109.5° |
| O04 | C08 | H082 | 109.1° | 109.5° |
| O04 | C08 | H083 | 109.1° | 109.4° |
| H081 | C08 | H082 | 109.1° | 109.5° |
| H081 | C08 | H083 | 109.1° | 109.5° |
| H082 | C08 | H083 | 100.9° | 109.5° |
| O05 | C09 | H091 | 119.8° | 109.4° |
| O05 | C09 | H092 | 108.5° | 109.5° |
| O05 | C09 | H093 | 108.5° | 109.5° |
| H091 | C09 | H092 | 108.5° | 109.5° |
| H091 | C09 | H093 | 108.6° | 109.5° |
| H092 | C09 | H093 | 101.4° | 109.5° |
| F10 | C10 | F11 | 106.9° | 109.5° |
| F10 | C10 | C11 | 109.0° | 109.5° |
| F11 | C10 | C11 | 107.1° | 109.4° |
| C10 | C11 | O11 | 118.3° | 120.0° |
| C10 | C11 | N12 | 121.5° | 120.0° |
| O11 | C11 | N12 | 120.2° | 120.0° |
| C11 | N12 | C12 | 123.9° | 120.6° |
| C11 | N12 | C16 | 121.1° | 120.6° |
| C12 | N12 | C16 | 114.9° | 118.7° |
| N12 | C12 | C13 | 113.0° | 108.7° |
| N12 | C12 | H121 | 110.9° | 109.6° |
| N12 | C12 | H122 | 110.9° | 109.6° |
| N12 | C16 | C15 | 112.0° | 109.0° |
| N12 | C16 | C17 | 109.1° | 109.8° |
| N12 | C16 | H161 | 108.1° | 109.3° |
| C13 | C12 | H121 | 110.9° | 109.6° |
| C13 | C12 | H122 | 110.9° | 109.6° |
| C12 | C13 | C14 | 111.5° | 109.4° |
| C12 | C13 | H131 | 111.5° | 109.5° |
| C12 | C13 | H132 | 111.5° | 109.5° |
| H121 | C12 | H122 | 99.5° | 109.7° |
| C14 | C13 | H131 | 111.4° | 109.5° |
| C14 | C13 | H132 | 111.5° | 109.5° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C13 | C14 | H141 | 111.3° | 109.5° |
| C13 | C14 | H142 | 111.3° | 109.5° |
| H131 | C13 | H132 | 98.9° | 109.5° |
| C15 | C14 | H141 | 111.2° | 109.4° |
| C15 | C14 | H142 | 111.2° | 109.5° |
| C14 | C15 | C16 | 111.8° | 109.4° |
| C14 | C15 | H151 | 111.3° | 109.5° |
| C14 | C15 | H152 | 111.4° | 109.5° |
| H141 | C14 | H142 | 99.1° | 109.5° |
| C16 | C15 | H151 | 111.3° | 109.5° |
| C16 | C15 | H152 | 111.4° | 109.4° |
| C15 | C16 | C17 | 109.9° | 109.6° |
| C15 | C16 | H161 | 107.3° | 109.6° |
| H151 | C15 | H152 | 99.0° | 109.5° |
| C17 | C16 | H161 | 110.4° | 109.6° |
| C16 | C17 | O17 | 119.9° | 120.0° |
| C16 | C17 | O18 | 121.6° | 120.0° |
| O17 | C17 | O18 | 118.5° | 120.0° |
| C17 | O18 | C18 | 114.9° | 120.0° |
| O18 | C18 | C19 | 109.0° | 109.5° |
| O18 | C18 | C27 | 111.5° | 109.5° |
| O18 | C18 | H181 | 108.7° | 109.5° |
| C19 | C18 | C27 | 110.2° | 109.5° |
| C19 | C18 | H181 | 110.0° | 109.4° |
| C18 | C19 | C20 | 110.5° | 109.5° |
| C18 | C19 | H191 | 111.8° | 109.5° |
| C18 | C19 | H192 | 111.8° | 109.4° |
| C27 | C18 | H181 | 107.5° | 109.5° |
| C18 | C27 | C28 | 111.7° | 109.5° |
| C18 | C27 | H271 | 111.3° | 109.5° |
| C18 | C27 | H272 | 111.4° | 109.4° |
| C20 | C19 | H191 | 111.9° | 109.5° |
| C20 | C19 | H192 | 111.9° | 109.5° |
| C19 | C20 | C21 | 108.8° | 109.5° |
| C19 | C20 | H201 | 112.4° | 109.5° |
| C19 | C20 | H202 | 112.4° | 109.5° |
| H191 | C19 | H192 | 98.5° | 109.5° |
| C21 | C20 | H201 | 112.4° | 109.4° |
| C21 | C20 | H202 | 112.5° | 109.5° |
| C20 | C21 | C22 | 109.0° | 109.5° |
| C20 | C21 | H211 | 112.4° | 109.5° |
| C20 | C21 | H212 | 112.4° | 109.5° |
| H201 | C20 | H202 | 98.1° | 109.4° |
| C22 | C21 | H211 | 112.4° | 109.4° |
| C22 | C21 | H212 | 112.4° | 109.5° |
| C21 | C22 | C23 | 120.4° | 120.4° |
| C21 | C22 | C26 | 120.3° | 120.4° |
| H211 | C21 | H212 | 98.0° | 109.5° |
| C23 | C22 | C26 | 119.2° | 119.2° |
| C22 | C23 | N23 | 119.9° | 120.7° |
| C22 | C23 | H231 | 122.4° | 119.6° |
| C22 | C26 | C25 | 119.8° | 118.4° |
| C22 | C26 | H261 | 120.4° | 120.8° |
| N23 | C23 | H231 | 117.6° | 119.6° |
| C23 | N23 | C24 | 121.6° | 121.7° |
| N23 | C24 | C25 | 121.1° | 120.8° |
| N23 | C24 | H241 | 118.1° | 119.6° |
| C25 | C24 | H241 | 120.8° | 119.6° |
| C24 | C25 | C26 | 118.4° | 119.2° |
| C24 | C25 | H251 | 120.9° | 120.4° |
| C26 | C25 | H251 | 120.8° | 120.4° |
| C25 | C26 | H261 | 119.8° | 120.8° |
| C28 | C27 | H271 | 111.4° | 109.5° |
| C28 | C27 | H272 | 111.4° | 109.5° |
| C27 | C28 | C29 | 108.4° | 109.5° |
| C27 | C28 | H281 | 112.6° | 109.5° |
| C27 | C28 | H282 | 112.6° | 109.4° |
| H271 | C27 | H272 | 99.0° | 109.5° |
| C29 | C28 | H281 | 112.6° | 109.5° |
| C29 | C28 | H282 | 112.6° | 109.5° |
| C28 | C29 | C30 | 108.4° | 109.5° |
| C28 | C29 | H291 | 112.6° | 109.4° |
| C28 | C29 | H292 | 112.6° | 109.4° |
| H281 | C28 | H282 | 97.8° | 109.4° |
| C30 | C29 | H291 | 112.6° | 109.5° |
| C30 | C29 | H292 | 112.6° | 109.5° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C29 | C30 | C35 | 120.0° | 120.0° |
| H291 | C29 | H292 | 97.8° | 109.5° |
| C31 | C30 | C35 | 120.2° | 120.0° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.0° |
| C30 | C35 | C34 | 119.8° | 120.0° |
| C30 | C35 | H351 | 120.1° | 120.0° |
| C32 | C31 | H311 | 119.7° | 120.0° |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| C33 | C32 | H321 | 120.3° | 120.0° |
| C32 | C33 | C34 | 119.9° | 120.0° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C34 | C33 | H331 | 120.2° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C33 | C34 | H341 | 120.2° | 120.0° |
| C35 | C34 | H341 | 119.6° | 120.0° |
| C34 | C35 | H351 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C10 | 176.9° | 180.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.3° |
| C01 | C02 | C03 | O03 | 179.7° | 180.0° |
| C02 | C01 | C06 | C05 | 0.2° | 0.0° |
| C02 | C01 | C06 | H061 | 179.8° | 180.0° |
| C02 | C01 | C10 | F10 | 13.0° | 30.0° |
| C02 | C01 | C10 | F11 | 103.5° | 150.0° |
| C02 | C01 | C10 | C11 | 138.2° | 90.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C06 | C01 | C02 | H021 | 179.9° | 180.0° |
| C01 | C06 | C05 | C04 | 0.3° | 0.3° |
| C01 | C06 | C05 | H061 | 180.0° | 180.0° |
| C01 | C06 | C05 | O05 | 176.8° | 180.0° |
| C06 | C01 | C10 | F10 | 170.1° | 150.1° |
| C06 | C01 | C10 | F11 | 73.4° | 30.0° |
| C06 | C01 | C10 | C11 | 45.0° | 90.0° |
| C10 | C01 | C02 | C03 | 176.8° | 180.0° |
| C10 | C01 | C02 | H021 | 3.1° | 0.0° |
| C10 | C01 | C06 | C05 | 176.7° | 180.0° |
| C10 | C01 | C06 | H061 | 3.3° | 0.0° |
| C01 | C10 | F10 | F11 | 116.2° | 120.1° |
| C01 | C10 | F10 | C11 | 128.4° | 119.9° |
| C01 | C10 | F11 | C11 | 123.5° | 120.0° |
| C01 | C10 | C11 | O11 | 101.0° | 93.1° |
| C01 | C10 | C11 | N12 | 77.5° | 86.9° |
| C02 | C03 | C04 | O03 | 179.7° | 179.7° |
| C02 | C03 | C04 | C05 | 0.1° | 0.6° |
| C02 | C03 | C04 | O04 | 178.3° | 180.0° |
| C02 | C03 | O03 | C07 | 1.9° | 0.0° |
| H021 | C02 | C03 | C04 | 179.9° | 179.7° |
| H021 | C02 | C03 | O03 | 0.4° | 0.0° |
| C03 | C04 | C05 | O04 | 178.4° | 179.4° |
| C03 | C04 | C05 | C06 | 0.3° | 0.6° |
| C03 | C04 | C05 | O05 | 177.0° | 179.7° |
| C04 | C03 | O03 | C07 | 177.9° | 179.7° |
| C03 | C04 | O04 | C08 | 59.3° | 90.6° |
| O03 | C03 | C04 | C05 | 179.8° | 179.7° |
| O03 | C03 | C04 | O04 | 1.4° | 0.3° |
| C03 | O03 | C07 | H071 | 180.0° | 179.9° |
| C03 | O03 | C07 | H072 | 54.7° | 60.0° |
| C03 | O03 | C07 | H073 | 54.7° | 60.0° |
| C04 | C05 | C06 | O05 | 177.2° | 179.7° |
| C04 | C05 | C06 | H061 | 179.6° | 179.7° |
| C05 | C04 | O04 | C08 | 122.3° | 90.0° |
| C04 | C05 | O05 | C09 | 163.0° | 179.7° |
| O04 | C04 | C05 | C06 | 178.1° | 180.0° |
| O04 | C04 | C05 | O05 | 4.6° | 0.3° |
| C04 | O04 | C08 | H081 | 180.0° | 180.0° |
| C04 | O04 | C08 | H082 | 54.7° | 60.0° |
| C04 | O04 | C08 | H083 | 54.7° | 60.0° |
| C06 | C05 | O05 | C09 | 19.9° | 0.0° |
| O05 | C05 | C06 | H061 | 3.2° | 0.0° |
| C05 | O05 | C09 | H091 | 180.0° | 180.0° |
| C05 | O05 | C09 | H092 | 54.7° | 60.0° |
| C05 | O05 | C09 | H093 | 54.7° | 60.0° |
| O03 | C07 | H071 | H072 | 125.3° | 120.0° |
| O03 | C07 | H071 | H073 | 125.3° | 120.0° |
| O03 | C07 | H072 | H073 | 114.2° | 120.0° |
| H071 | C07 | H072 | H073 | 114.2° | 120.0° |
| O04 | C08 | H081 | H082 | 125.3° | 120.0° |
| O04 | C08 | H081 | H083 | 125.3° | 120.0° |
| O04 | C08 | H082 | H083 | 114.8° | 120.0° |
| H081 | C08 | H082 | H083 | 114.8° | 120.0° |
| O05 | C09 | H091 | H092 | 125.3° | 120.0° |
| O05 | C09 | H091 | H093 | 125.3° | 120.0° |
| O05 | C09 | H092 | H093 | 114.2° | 120.0° |
| H091 | C09 | H092 | H093 | 114.2° | 120.0° |
| F10 | C10 | F11 | C11 | 116.7° | 120.0° |
| F10 | C10 | C11 | O11 | 132.3° | 26.9° |
| F10 | C10 | C11 | N12 | 49.2° | 153.1° |
| F11 | C10 | C11 | O11 | 17.0° | 146.9° |
| F11 | C10 | C11 | N12 | 164.5° | 33.1° |
| C10 | C11 | O11 | N12 | 178.5° | 180.0° |
| C10 | C11 | N12 | C12 | 4.9° | 4.3° |
| C10 | C11 | N12 | C16 | 179.1° | 175.9° |
| O11 | C11 | N12 | C12 | 173.6° | 175.7° |
| O11 | C11 | N12 | C16 | 0.7° | 4.1° |
| C11 | N12 | C12 | C16 | 174.5° | 179.8° |
| C11 | N12 | C12 | C13 | 134.9° | 126.4° |
| C11 | N12 | C12 | H121 | 9.7° | 113.9° |
| C11 | N12 | C12 | H122 | 99.8° | 6.6° |
| C11 | N12 | C16 | C15 | 132.9° | 126.4° |
| C11 | N12 | C16 | C17 | 105.2° | 6.4° |
| C11 | N12 | C16 | H161 | 14.8° | 113.8° |
| N12 | C12 | C13 | H121 | 125.2° | 119.8° |
| N12 | C12 | C13 | H122 | 125.3° | 119.7° |
| N12 | C12 | H121 | H122 | 116.8° | 120.3° |
| N12 | C12 | C13 | C14 | 48.9° | 54.7° |
| N12 | C12 | C13 | H131 | 76.4° | 174.6° |
| N12 | C12 | C13 | H132 | 174.1° | 65.3° |
| C12 | N12 | C16 | C15 | 52.4° | 53.4° |
| C12 | N12 | C16 | C17 | 69.5° | 173.4° |
| C12 | N12 | C16 | H161 | 170.4° | 66.4° |
| C16 | N12 | C12 | C13 | 50.5° | 53.4° |
| C16 | N12 | C12 | H121 | 175.7° | 66.4° |
| C16 | N12 | C12 | H122 | 74.8° | 173.2° |
| N12 | C16 | C15 | C14 | 53.2° | 54.4° |
| N12 | C16 | C15 | C17 | 121.5° | 120.1° |
| N12 | C16 | C15 | H161 | 118.5° | 119.5° |
| N12 | C16 | C15 | H151 | 72.0° | 174.4° |
| N12 | C16 | C15 | H152 | 178.5° | 65.5° |
| N12 | C16 | C17 | H161 | 118.6° | 120.0° |
| N12 | C16 | C17 | O17 | 169.4° | 67.5° |
| N12 | C16 | C17 | O18 | 10.5° | 112.5° |
| C13 | C12 | H121 | H122 | 116.8° | 120.4° |
| C12 | C13 | C14 | H131 | 125.2° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 117.4° | 120.1° |
| C12 | C13 | C14 | C15 | 50.7° | 61.4° |
| C12 | C13 | C14 | H141 | 176.0° | 58.6° |
| C12 | C13 | C14 | H142 | 74.5° | 178.6° |
| H121 | C12 | C13 | C14 | 174.1° | 65.1° |
| H121 | C12 | C13 | H131 | 48.8° | 54.9° |
| H121 | C12 | C13 | H132 | 60.7° | 174.9° |
| H122 | C12 | C13 | C14 | 76.4° | 174.4° |
| H122 | C12 | C13 | H131 | 158.4° | 65.6° |
| H122 | C12 | C13 | H132 | 48.9° | 54.4° |
| C14 | C13 | H131 | H132 | 117.4° | 120.1° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.3° | 120.1° |
| C13 | C14 | H141 | H142 | 117.2° | 120.1° |
| C13 | C14 | C15 | C16 | 53.3° | 61.3° |
| C13 | C14 | C15 | H151 | 72.0° | 178.7° |
| C13 | C14 | C15 | H152 | 178.6° | 58.6° |
| H131 | C13 | C14 | C15 | 74.5° | 178.7° |
| H131 | C13 | C14 | H141 | 50.7° | 61.4° |
| H131 | C13 | C14 | H142 | 160.2° | 58.7° |
| H132 | C13 | C14 | C15 | 176.0° | 58.6° |
| H132 | C13 | C14 | H141 | 58.8° | 178.6° |
| H132 | C13 | C14 | H142 | 50.7° | 61.4° |
| C15 | C14 | H141 | H142 | 117.1° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 117.2° | 120.1° |
| C14 | C15 | C16 | C17 | 68.3° | 174.6° |
| C14 | C15 | C16 | H161 | 171.7° | 65.1° |
| H141 | C14 | C15 | C16 | 178.5° | 58.7° |
| H141 | C14 | C15 | H151 | 53.3° | 61.3° |
| H141 | C14 | C15 | H152 | 56.2° | 178.6° |
| H142 | C14 | C15 | C16 | 72.0° | 178.7° |
| H142 | C14 | C15 | H151 | 162.7° | 58.7° |
| H142 | C14 | C15 | H152 | 53.3° | 61.4° |
| C16 | C15 | H151 | H152 | 117.2° | 120.0° |
| C15 | C16 | C17 | H161 | 118.1° | 120.3° |
| C15 | C16 | C17 | O17 | 46.2° | 52.1° |
| C15 | C16 | C17 | O18 | 133.7° | 127.9° |
| H151 | C15 | C16 | C17 | 166.4° | 65.4° |
| H151 | C15 | C16 | H161 | 46.4° | 54.9° |
| H152 | C15 | C16 | C17 | 57.0° | 54.6° |
| H152 | C15 | C16 | H161 | 63.0° | 174.9° |
| C16 | C17 | O17 | O18 | 179.9° | 180.0° |
| C16 | C17 | O18 | C18 | 179.7° | 180.0° |
| H161 | C16 | C17 | O17 | 72.0° | 172.5° |
| H161 | C16 | C17 | O18 | 108.1° | 7.5° |
| O17 | C17 | O18 | C18 | 0.4° | 0.0° |
| C17 | O18 | C18 | C19 | 107.3° | 90.0° |
| C17 | O18 | C18 | C27 | 130.8° | 150.0° |
| C17 | O18 | C18 | H181 | 12.6° | 30.0° |
| O18 | C18 | C19 | C27 | 122.6° | 120.0° |
| O18 | C18 | C19 | H181 | 119.1° | 120.0° |
| O18 | C18 | C27 | H181 | 119.0° | 120.0° |
| O18 | C18 | C19 | C20 | 174.0° | 60.0° |
| O18 | C18 | C19 | H191 | 48.7° | 180.0° |
| O18 | C18 | C19 | H192 | 60.7° | 60.0° |
| O18 | C18 | C27 | C28 | 3.2° | 60.0° |
| O18 | C18 | C27 | H271 | 122.0° | 60.0° |
| O18 | C18 | C27 | H272 | 128.5° | 180.0° |
| C19 | C18 | C27 | H181 | 119.8° | 119.9° |
| C18 | C19 | C20 | H191 | 125.3° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 119.9° |
| C18 | C19 | H191 | H192 | 117.7° | 120.0° |
| C18 | C19 | C20 | C21 | 140.6° | 180.0° |
| C18 | C19 | C20 | H201 | 15.4° | 60.0° |
| C18 | C19 | C20 | H202 | 94.1° | 60.0° |
| C19 | C18 | C27 | C28 | 124.4° | 180.0° |
| C19 | C18 | C27 | H271 | 0.8° | 60.0° |
| C19 | C18 | C27 | H272 | 110.3° | 60.0° |
| C27 | C18 | C19 | C20 | 51.4° | 180.0° |
| C27 | C18 | C19 | H191 | 74.0° | 60.0° |
| C27 | C18 | C19 | H192 | 176.7° | 60.1° |
| C18 | C27 | C28 | H271 | 125.2° | 120.0° |
| C18 | C27 | C28 | H272 | 125.2° | 120.0° |
| C18 | C27 | H271 | H272 | 117.3° | 120.0° |
| C18 | C27 | C28 | C29 | 106.9° | 180.0° |
| C18 | C27 | C28 | H281 | 127.8° | 59.9° |
| C18 | C27 | C28 | H282 | 18.4° | 60.0° |
| H181 | C18 | C19 | C20 | 67.0° | 60.0° |
| H181 | C18 | C19 | H191 | 167.7° | 60.0° |
| H181 | C18 | C19 | H192 | 58.4° | 180.0° |
| H181 | C18 | C27 | C28 | 115.8° | 60.0° |
| H181 | C18 | C27 | H271 | 119.0° | 179.9° |
| H181 | C18 | C27 | H272 | 9.5° | 59.9° |
| C20 | C19 | H191 | H192 | 117.8° | 120.0° |
| C19 | C20 | C21 | H201 | 125.2° | 120.0° |
| C19 | C20 | C21 | H202 | 125.2° | 120.1° |
| C19 | C20 | H201 | H202 | 118.4° | 120.0° |
| C19 | C20 | C21 | C22 | 93.2° | 180.0° |
| C19 | C20 | C21 | H211 | 141.4° | 60.0° |
| C19 | C20 | C21 | H212 | 32.0° | 60.0° |
| H191 | C19 | C20 | C21 | 94.1° | 60.0° |
| H191 | C19 | C20 | H201 | 140.6° | 180.0° |
| H191 | C19 | C20 | H202 | 31.1° | 60.0° |
| H192 | C19 | C20 | C21 | 15.4° | 60.0° |
| H192 | C19 | C20 | H201 | 109.9° | 59.9° |
| H192 | C19 | C20 | H202 | 140.6° | 179.9° |
| C21 | C20 | H201 | H202 | 118.4° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | C22 | H212 | 125.2° | 120.1° |
| C20 | C21 | H211 | H212 | 118.3° | 120.0° |
| C20 | C21 | C22 | C23 | 68.9° | 90.3° |
| C20 | C21 | C22 | C26 | 114.8° | 90.0° |
| H201 | C20 | C21 | C22 | 32.0° | 60.0° |
| H201 | C20 | C21 | H211 | 93.3° | 180.0° |
| H201 | C20 | C21 | H212 | 157.2° | 60.0° |
| H202 | C20 | C21 | C22 | 141.5° | 59.9° |
| H202 | C20 | C21 | H211 | 16.2° | 60.0° |
| H202 | C20 | C21 | H212 | 93.2° | 180.0° |
| C22 | C21 | H211 | H212 | 118.3° | 120.0° |
| C21 | C22 | C23 | C26 | 176.3° | 179.7° |
| C21 | C22 | C23 | N23 | 175.7° | 179.7° |
| C21 | C22 | C23 | H231 | 4.4° | 0.2° |
| C21 | C22 | C26 | C25 | 175.6° | 179.9° |
| C21 | C22 | C26 | H261 | 4.4° | 0.0° |
| H211 | C21 | C22 | C23 | 56.4° | 149.7° |
| H211 | C21 | C22 | C26 | 119.9° | 30.0° |
| H212 | C21 | C22 | C23 | 165.8° | 29.8° |
| H212 | C21 | C22 | C26 | 10.4° | 150.0° |
| C22 | C23 | N23 | H231 | 179.9° | 179.5° |
| C22 | C23 | N23 | C24 | 0.1° | 0.5° |
| C23 | C22 | C26 | C25 | 0.7° | 0.3° |
| C23 | C22 | C26 | H261 | 179.3° | 179.8° |
| C26 | C22 | C23 | N23 | 0.6° | 0.5° |
| C26 | C22 | C23 | H231 | 179.3° | 180.0° |
| C22 | C26 | C25 | C24 | 0.2° | 0.1° |
| C22 | C26 | C25 | H261 | 180.0° | 179.9° |
| C22 | C26 | C25 | H251 | 179.8° | 180.0° |
| C23 | N23 | C24 | C25 | 0.4° | 0.3° |
| C23 | N23 | C24 | H241 | 179.6° | 179.8° |
| H231 | C23 | N23 | C24 | 179.9° | 180.0° |
| N23 | C24 | C25 | H241 | 180.0° | 179.9° |
| N23 | C24 | C25 | C26 | 0.4° | 0.1° |
| N23 | C24 | C25 | H251 | 179.6° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 179.8° | 180.0° |
| H241 | C24 | C25 | C26 | 179.6° | 180.0° |
| H241 | C24 | C25 | H251 | 0.4° | 0.1° |
| H251 | C25 | C26 | H261 | 0.2° | 0.1° |
| C28 | C27 | H271 | H272 | 117.3° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.1° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 118.5° | 119.9° |
| C27 | C28 | C29 | C30 | 153.0° | 179.9° |
| C27 | C28 | C29 | H291 | 81.7° | 60.0° |
| C27 | C28 | C29 | H292 | 27.7° | 60.0° |
| H271 | C27 | C28 | C29 | 18.3° | 60.0° |
| H271 | C27 | C28 | H281 | 107.0° | 180.0° |
| H271 | C27 | C28 | H282 | 143.6° | 60.0° |
| H272 | C27 | C28 | C29 | 127.9° | 60.0° |
| H272 | C27 | C28 | H281 | 2.5° | 60.0° |
| H272 | C27 | C28 | H282 | 106.9° | 180.0° |
| C29 | C28 | H281 | H282 | 118.5° | 120.0° |
| C28 | C29 | C30 | H291 | 125.2° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H292 | 118.5° | 119.9° |
| C28 | C29 | C30 | C31 | 58.4° | 90.0° |
| C28 | C29 | C30 | C35 | 121.5° | 90.3° |
| H281 | C28 | C29 | C30 | 27.7° | 60.0° |
| H281 | C28 | C29 | H291 | 152.9° | 180.0° |
| H281 | C28 | C29 | H292 | 97.6° | 60.1° |
| H282 | C28 | C29 | C30 | 81.7° | 60.0° |
| H282 | C28 | C29 | H291 | 43.5° | 60.0° |
| H282 | C28 | C29 | H292 | 153.0° | 180.0° |
| C30 | C29 | H291 | H292 | 118.5° | 120.1° |
| C29 | C30 | C31 | C35 | 179.8° | 179.7° |
| C29 | C30 | C31 | C32 | 179.9° | 180.0° |
| C29 | C30 | C31 | H311 | 0.1° | 0.0° |
| C29 | C30 | C35 | C34 | 179.9° | 179.8° |
| C29 | C30 | C35 | H351 | 0.1° | 0.3° |
| H291 | C29 | C30 | C31 | 66.9° | 29.9° |
| H291 | C29 | C30 | C35 | 113.3° | 149.7° |
| H292 | C29 | C30 | C31 | 176.3° | 150.0° |
| H292 | C29 | C30 | C35 | 3.8° | 29.7° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C30 | C31 | C32 | H321 | 179.8° | 179.9° |
| C31 | C30 | C35 | C34 | 0.2° | 0.5° |
| C31 | C30 | C35 | H351 | 179.8° | 179.9° |
| C35 | C30 | C31 | C32 | 0.2° | 0.3° |
| C35 | C30 | C31 | H311 | 179.8° | 179.7° |
| C30 | C35 | C34 | C33 | 0.2° | 0.4° |
| C30 | C35 | C34 | H351 | 180.0° | 179.6° |
| C30 | C35 | C34 | H341 | 179.8° | 179.7° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | 0.0° |
| C31 | C32 | C33 | H331 | 179.8° | 179.9° |
| H311 | C31 | C32 | C33 | 179.8° | 180.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.1° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.2° | 0.2° |
| C32 | C33 | C34 | H341 | 179.8° | 180.0° |
| H321 | C32 | C33 | C34 | 179.8° | 180.0° |
| H321 | C32 | C33 | H331 | 0.2° | 0.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.8° |
| C33 | C34 | C35 | H351 | 179.8° | 180.0° |
| H331 | C33 | C34 | C35 | 179.8° | 179.9° |
| H331 | C33 | C34 | H341 | 0.2° | 0.0° |
| H341 | C34 | C35 | H351 | 0.2° | 0.2° |
