WCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | O03 | sing | 1.43Å | 1.41Å | |
| C02 | C30 | sing | 1.51Å | 1.55Å | |
| O03 | C04 | sing | 1.36Å | 1.41Å | |
| C04 | C05 | sing | 1.39Å | 1.49Å | Aromatic |
| C04 | C26 | doub | 1.40Å | 1.48Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.49Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.34Å | Aromatic |
| C06 | C24 | sing | 1.39Å | 1.46Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.38Å | Aromatic |
| N07 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | N09 | doub | 1.30Å | 1.43Å | Aromatic |
| N09 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.47Å | Aromatic |
| C10 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.45Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.41Å | |
| C12 | C21 | sing | 1.39Å | 1.45Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C20 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | N17 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.48Å | |
| N17 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | doub | 1.38Å | 1.45Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.49Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.49Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.48Å | Aromatic |
| C26 | C27 | sing | 1.47Å | 1.55Å | |
| C27 | N28 | sing | 1.35Å | 1.47Å | |
| C27 | O29 | doub | 1.22Å | 1.18Å | |
| C30 | C31 | doub | 1.38Å | 1.46Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.51Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.46Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.49Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.49Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.56Å | |
| C36 | F37 | sing | 1.40Å | 1.35Å | |
| C36 | F38 | sing | 1.40Å | 1.36Å | |
| C36 | F39 | sing | 1.40Å | 1.38Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| N28 | H282 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 107.3° | 109.5° |
| C01 | C02 | C30 | 110.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H02 | 109.9° | 109.4° |
| O03 | C02 | C30 | 108.4° | 109.5° |
| C02 | O03 | C04 | 118.9° | 117.0° |
| O03 | C02 | H02 | 111.9° | 109.5° |
| C02 | C30 | C31 | 119.7° | 120.0° |
| C02 | C30 | C35 | 119.9° | 120.1° |
| C30 | C02 | H02 | 108.8° | 109.5° |
| O03 | C04 | C05 | 120.0° | 120.1° |
| O03 | C04 | C26 | 119.5° | 120.2° |
| C05 | C04 | C26 | 120.5° | 119.6° |
| C04 | C05 | C06 | 118.3° | 119.9° |
| C04 | C05 | H05 | 120.8° | 120.1° |
| C04 | C26 | C25 | 120.0° | 119.8° |
| C04 | C26 | C27 | 122.5° | 120.1° |
| C05 | C06 | N07 | 120.9° | 119.9° |
| C05 | C06 | C24 | 121.6° | 120.2° |
| C06 | C05 | H05 | 120.8° | 120.1° |
| N07 | C06 | C24 | 117.5° | 119.9° |
| C06 | N07 | C08 | 123.3° | 126.4° |
| C06 | N07 | C23 | 126.5° | 126.4° |
| C06 | C24 | C25 | 119.4° | 120.4° |
| C06 | C24 | H24 | 120.3° | 119.8° |
| C08 | N07 | C23 | 110.1° | 107.2° |
| N07 | C08 | N09 | 106.5° | 110.1° |
| N07 | C08 | H08 | 126.8° | 125.0° |
| N07 | C23 | C10 | 106.1° | 106.0° |
| N07 | C23 | C22 | 132.5° | 133.9° |
| C08 | N09 | C10 | 108.1° | 109.7° |
| N09 | C08 | H08 | 126.8° | 124.9° |
| N09 | C10 | C11 | 130.9° | 133.5° |
| N09 | C10 | C23 | 109.1° | 107.0° |
| C11 | C10 | C23 | 119.9° | 119.5° |
| C10 | C11 | C12 | 118.7° | 119.8° |
| C10 | C11 | H11 | 120.6° | 120.1° |
| C10 | C23 | C22 | 121.3° | 120.1° |
| C11 | C12 | O13 | 117.0° | 119.8° |
| C11 | C12 | C21 | 122.5° | 120.4° |
| C12 | C11 | H11 | 120.6° | 120.1° |
| O13 | C12 | C21 | 120.5° | 119.8° |
| C12 | O13 | C14 | 110.4° | 117.0° |
| C12 | C21 | C22 | 118.1° | 120.4° |
| C12 | C21 | H21 | 120.9° | 119.8° |
| O13 | C14 | C15 | 111.9° | 109.5° |
| O13 | C14 | C20 | 91.8° | 109.5° |
| O13 | C14 | H14 | 119.0° | 109.5° |
| C15 | C14 | C20 | 110.1° | 109.2° |
| C14 | C15 | C16 | 111.2° | 109.3° |
| C15 | C14 | H14 | 103.3° | 109.6° |
| C14 | C15 | H151 | 108.9° | 109.5° |
| C14 | C15 | H152 | 108.5° | 109.5° |
| C14 | C20 | C19 | 109.1° | 109.3° |
| C20 | C14 | H14 | 120.6° | 109.6° |
| C14 | C20 | H201 | 109.6° | 109.5° |
| C14 | C20 | H202 | 109.7° | 109.5° |
| C15 | C16 | N17 | 114.1° | 109.5° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.5° | 109.5° |
| C15 | C16 | H161 | 108.0° | 109.4° |
| C15 | C16 | H162 | 106.9° | 109.5° |
| C16 | N17 | C18 | 117.0° | 110.9° |
| C16 | N17 | C19 | 114.3° | 111.2° |
| N17 | C16 | H161 | 108.0° | 109.5° |
| N17 | C16 | H162 | 106.9° | 109.5° |
| C18 | N17 | C19 | 111.0° | 111.0° |
| N17 | C18 | H181 | 109.5° | 109.5° |
| N17 | C18 | H182 | 109.5° | 109.4° |
| N17 | C18 | H183 | 109.5° | 109.5° |
| N17 | C19 | C20 | 112.5° | 109.5° |
| N17 | C19 | H191 | 108.4° | 109.4° |
| N17 | C19 | H192 | 107.8° | 109.4° |
| C19 | C20 | H201 | 109.6° | 109.6° |
| C19 | C20 | H202 | 109.7° | 109.5° |
| C20 | C19 | H191 | 108.5° | 109.5° |
| C20 | C19 | H192 | 107.8° | 109.5° |
| C21 | C22 | C23 | 119.4° | 119.9° |
| C22 | C21 | H21 | 120.9° | 119.8° |
| C21 | C22 | H22 | 120.3° | 120.1° |
| C23 | C22 | H22 | 120.3° | 120.0° |
| C24 | C25 | C26 | 120.1° | 120.1° |
| C25 | C24 | H24 | 120.3° | 119.8° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 117.5° | 120.1° |
| C26 | C25 | H25 | 119.9° | 119.9° |
| C26 | C27 | N28 | 121.3° | 120.0° |
| C26 | C27 | O29 | 118.0° | 120.0° |
| N28 | C27 | O29 | 120.7° | 120.0° |
| C27 | N28 | H281 | 106.6° | 120.0° |
| C27 | N28 | H282 | 126.7° | 120.0° |
| C31 | C30 | C35 | 120.3° | 120.0° |
| C30 | C31 | C32 | 119.2° | 120.0° |
| C30 | C31 | H31 | 120.4° | 120.0° |
| C30 | C35 | C34 | 120.6° | 120.1° |
| C30 | C35 | C36 | 120.3° | 120.0° |
| C31 | C32 | C33 | 120.4° | 120.0° |
| C32 | C31 | H31 | 120.4° | 120.0° |
| C31 | C32 | H32 | 119.8° | 120.0° |
| C32 | C33 | C34 | 120.5° | 120.0° |
| C33 | C32 | H32 | 119.8° | 120.0° |
| C32 | C33 | H33 | 119.7° | 120.0° |
| C33 | C34 | C35 | 118.9° | 120.0° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C33 | C34 | H34 | 120.6° | 120.0° |
| C34 | C35 | C36 | 119.1° | 120.0° |
| C35 | C34 | H34 | 120.5° | 120.0° |
| C35 | C36 | F37 | 107.7° | 109.5° |
| C35 | C36 | F38 | 109.6° | 109.5° |
| C35 | C36 | F39 | 111.6° | 109.5° |
| F37 | C36 | F38 | 108.6° | 109.4° |
| F37 | C36 | F39 | 109.1° | 109.5° |
| F38 | C36 | F39 | 110.1° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H151 | C15 | H152 | 110.9° | 109.5° |
| H201 | C20 | H202 | 109.1° | 109.5° |
| H161 | C16 | H162 | 113.2° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H191 | C19 | H192 | 111.9° | 109.4° |
| H281 | N28 | H282 | 126.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | C30 | 119.4° | 120.0° |
| C01 | C02 | O03 | H02 | 120.6° | 120.0° |
| C01 | C02 | C30 | H02 | 120.7° | 119.9° |
| C01 | C02 | O03 | C04 | 163.6° | 85.3° |
| C01 | C02 | C30 | C31 | 88.2° | 95.1° |
| C01 | C02 | C30 | C35 | 90.1° | 84.7° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O03 | C02 | C30 | H02 | 121.9° | 120.0° |
| C02 | O03 | C04 | C05 | 1.3° | 5.2° |
| C02 | O03 | C04 | C26 | 177.3° | 174.9° |
| O03 | C02 | C30 | C31 | 29.2° | 25.0° |
| O03 | C02 | C30 | C35 | 152.6° | 155.3° |
| O03 | C02 | C01 | H011 | 121.3° | 59.9° |
| O03 | C02 | C01 | H012 | 1.4° | 180.0° |
| O03 | C02 | C01 | H013 | 118.6° | 60.0° |
| C30 | C02 | O03 | C04 | 76.9° | 154.6° |
| C02 | C30 | C31 | C35 | 178.2° | 179.7° |
| C02 | C30 | C31 | C32 | 178.9° | 180.0° |
| C02 | C30 | C35 | C34 | 179.3° | 179.8° |
| C02 | C30 | C35 | C36 | 1.4° | 0.0° |
| C30 | C02 | C01 | H011 | 3.3° | 180.0° |
| C30 | C02 | C01 | H012 | 116.7° | 60.0° |
| C30 | C02 | C01 | H013 | 123.3° | 60.0° |
| C02 | C30 | C31 | H31 | 1.1° | 0.0° |
| O03 | C04 | C05 | C26 | 178.6° | 179.8° |
| O03 | C04 | C05 | C06 | 177.3° | 180.0° |
| O03 | C04 | C26 | C25 | 178.1° | 179.8° |
| O03 | C04 | C26 | C27 | 1.9° | 0.1° |
| C04 | O03 | C02 | H02 | 43.1° | 34.6° |
| O03 | C04 | C05 | H05 | 2.7° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 177.6° | 180.0° |
| C04 | C05 | C06 | C24 | 1.2° | 0.0° |
| C05 | C04 | C26 | C25 | 0.5° | 0.4° |
| C05 | C04 | C26 | C27 | 179.5° | 179.7° |
| C26 | C04 | C05 | C06 | 1.3° | 0.2° |
| C04 | C26 | C25 | C24 | 0.5° | 0.5° |
| C04 | C26 | C25 | C27 | 180.0° | 179.8° |
| C04 | C26 | C27 | N28 | 2.1° | 180.0° |
| C04 | C26 | C27 | O29 | 179.5° | 0.1° |
| C26 | C04 | C05 | H05 | 178.7° | 179.7° |
| C04 | C26 | C25 | H25 | 179.5° | 179.7° |
| C05 | C06 | N07 | C24 | 178.8° | 180.0° |
| C05 | C06 | N07 | C08 | 139.6° | 50.0° |
| C05 | C06 | N07 | C23 | 42.2° | 130.0° |
| C05 | C06 | C24 | C25 | 0.3° | 0.0° |
| C05 | C06 | C24 | H24 | 179.7° | 180.0° |
| C06 | N07 | C08 | C23 | 178.4° | 180.0° |
| C06 | N07 | C08 | N09 | 178.1° | 180.0° |
| C06 | N07 | C23 | C10 | 179.1° | 180.0° |
| C06 | N07 | C23 | C22 | 2.2° | 0.0° |
| N07 | C06 | C24 | C25 | 178.6° | 180.0° |
| N07 | C06 | C05 | H05 | 2.4° | 0.0° |
| N07 | C06 | C24 | H24 | 1.4° | 0.0° |
| C06 | N07 | C08 | H08 | 1.9° | 0.0° |
| C24 | C06 | N07 | C08 | 41.6° | 130.0° |
| C24 | C06 | N07 | C23 | 136.6° | 50.0° |
| C06 | C24 | C25 | H24 | 180.0° | 180.0° |
| C06 | C24 | C25 | C26 | 0.6° | 0.2° |
| C24 | C06 | C05 | H05 | 178.8° | 180.0° |
| C06 | C24 | C25 | H25 | 179.4° | 180.0° |
| N07 | C08 | N09 | H08 | 180.0° | 179.9° |
| N07 | C08 | N09 | C10 | 1.3° | 0.1° |
| C08 | N07 | C23 | C10 | 0.7° | 0.0° |
| C08 | N07 | C23 | C22 | 179.5° | 180.0° |
| C23 | N07 | C08 | N09 | 0.3° | 0.0° |
| N07 | C23 | C10 | N09 | 1.6° | 0.0° |
| N07 | C23 | C10 | C11 | 179.0° | 180.0° |
| N07 | C23 | C10 | C22 | 178.9° | 180.0° |
| N07 | C23 | C22 | C21 | 179.9° | 180.0° |
| C23 | N07 | C08 | H08 | 179.7° | 180.0° |
| N07 | C23 | C22 | H22 | 0.1° | 0.0° |
| C08 | N09 | C10 | C11 | 178.9° | 179.9° |
| C08 | N09 | C10 | C23 | 1.8° | 0.1° |
| N09 | C10 | C11 | C23 | 176.8° | 180.0° |
| N09 | C10 | C11 | C12 | 178.6° | 179.9° |
| N09 | C10 | C23 | C22 | 179.5° | 180.0° |
| C10 | N09 | C08 | H08 | 178.7° | 180.0° |
| N09 | C10 | C11 | H11 | 1.4° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | O13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C21 | 0.9° | 0.0° |
| C11 | C10 | C23 | C22 | 2.1° | 0.0° |
| C23 | C10 | C11 | C12 | 1.8° | 0.1° |
| C10 | C23 | C22 | C21 | 1.5° | 0.0° |
| C23 | C10 | C11 | H11 | 178.2° | 179.9° |
| C10 | C23 | C22 | H22 | 178.5° | 180.0° |
| C11 | C12 | O13 | C21 | 179.2° | 179.9° |
| C11 | C12 | O13 | C14 | 36.6° | 5.4° |
| C11 | C12 | C21 | C22 | 0.4° | 0.0° |
| C11 | C12 | C21 | H21 | 179.6° | 180.0° |
| C12 | O13 | C14 | C15 | 136.1° | 155.6° |
| C12 | O13 | C14 | C20 | 111.4° | 84.8° |
| O13 | C12 | C21 | C22 | 179.6° | 179.9° |
| O13 | C12 | C11 | H11 | 0.2° | 0.0° |
| O13 | C12 | C21 | H21 | 0.4° | 0.0° |
| C12 | O13 | C14 | H14 | 15.6° | 35.4° |
| C21 | C12 | O13 | C14 | 144.2° | 174.6° |
| C12 | C21 | C22 | H21 | 180.0° | 180.0° |
| C12 | C21 | C22 | C23 | 0.6° | 0.0° |
| C21 | C12 | C11 | H11 | 179.0° | 180.0° |
| C12 | C21 | C22 | H22 | 179.4° | 180.0° |
| O13 | C14 | C15 | C20 | 100.6° | 119.9° |
| O13 | C14 | C15 | H14 | 129.3° | 120.1° |
| O13 | C14 | C20 | H14 | 125.7° | 120.1° |
| O13 | C14 | C15 | C16 | 45.5° | 62.3° |
| O13 | C14 | C20 | C19 | 56.3° | 62.2° |
| O13 | C14 | C15 | H151 | 74.5° | 57.7° |
| O13 | C14 | C15 | H152 | 164.8° | 177.8° |
| O13 | C14 | C20 | H201 | 176.3° | 177.8° |
| O13 | C14 | C20 | H202 | 63.9° | 57.7° |
| C15 | C14 | C20 | H14 | 120.2° | 120.0° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 119.3° | 120.0° |
| C14 | C15 | C16 | N17 | 50.0° | 59.2° |
| C15 | C14 | C20 | C19 | 57.9° | 57.7° |
| C14 | C15 | H151 | H152 | 119.3° | 120.1° |
| C15 | C14 | C20 | H201 | 62.1° | 62.3° |
| C15 | C14 | C20 | H202 | 178.1° | 177.6° |
| C14 | C15 | C16 | H161 | 70.0° | 60.9° |
| C14 | C15 | C16 | H162 | 168.0° | 179.2° |
| C20 | C14 | C15 | C16 | 55.0° | 57.6° |
| C14 | C20 | C19 | N17 | 56.3° | 59.2° |
| C14 | C20 | C19 | H201 | 120.0° | 120.0° |
| C14 | C20 | C19 | H202 | 120.2° | 119.9° |
| C20 | C14 | C15 | H151 | 175.0° | 177.6° |
| C20 | C14 | C15 | H152 | 64.2° | 62.3° |
| C14 | C20 | H201 | H202 | 120.2° | 120.1° |
| C14 | C20 | C19 | H191 | 63.7° | 60.8° |
| C14 | C20 | C19 | H192 | 175.0° | 179.2° |
| C15 | C16 | N17 | H161 | 120.0° | 120.0° |
| C15 | C16 | N17 | H162 | 117.9° | 120.0° |
| C15 | C16 | N17 | C18 | 179.2° | 174.2° |
| C15 | C16 | N17 | C19 | 48.6° | 61.7° |
| C16 | C15 | C14 | H14 | 174.8° | 177.6° |
| C16 | C15 | H151 | H152 | 119.3° | 120.0° |
| C15 | C16 | H161 | H162 | 118.1° | 119.9° |
| C16 | N17 | C18 | C19 | 133.7° | 124.2° |
| C16 | N17 | C19 | C20 | 51.9° | 61.8° |
| N17 | C16 | C15 | H151 | 170.0° | 179.1° |
| N17 | C16 | C15 | H152 | 69.2° | 60.8° |
| N17 | C16 | H161 | H162 | 118.1° | 120.1° |
| C16 | N17 | C18 | H181 | 145.2° | 60.0° |
| C16 | N17 | C18 | H182 | 94.8° | 180.0° |
| C16 | N17 | C18 | H183 | 25.2° | 60.0° |
| C16 | N17 | C19 | H191 | 68.1° | 58.3° |
| C16 | N17 | C19 | H192 | 170.6° | 178.2° |
| C18 | N17 | C19 | C20 | 173.1° | 174.2° |
| C18 | N17 | C16 | H161 | 60.8° | 65.9° |
| C18 | N17 | C16 | H162 | 61.3° | 54.1° |
| N17 | C18 | H181 | H182 | 120.0° | 120.0° |
| N17 | C18 | H181 | H183 | 120.0° | 120.1° |
| N17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | N17 | C19 | H191 | 66.9° | 65.7° |
| C18 | N17 | C19 | H192 | 54.4° | 54.1° |
| N17 | C19 | C20 | H191 | 120.0° | 120.0° |
| N17 | C19 | C20 | H192 | 118.7° | 120.0° |
| N17 | C19 | C20 | H201 | 63.8° | 60.7° |
| N17 | C19 | C20 | H202 | 176.4° | 179.1° |
| C19 | N17 | C16 | H161 | 71.4° | 58.3° |
| C19 | N17 | C16 | H162 | 166.5° | 178.3° |
| C19 | N17 | C18 | H181 | 81.2° | 175.8° |
| C19 | N17 | C18 | H182 | 38.8° | 55.8° |
| C19 | N17 | C18 | H183 | 158.8° | 64.2° |
| N17 | C19 | H191 | H192 | 118.8° | 119.9° |
| C19 | C20 | C14 | H14 | 178.1° | 177.6° |
| C19 | C20 | H201 | H202 | 120.2° | 120.1° |
| C20 | C19 | H191 | H192 | 118.8° | 120.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | H21 | 179.3° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 179.5° | 179.7° |
| C25 | C26 | C27 | N28 | 177.9° | 0.2° |
| C25 | C26 | C27 | O29 | 0.5° | 179.8° |
| C26 | C25 | C24 | H24 | 179.4° | 179.8° |
| C26 | C27 | N28 | O29 | 178.4° | 179.9° |
| C27 | C26 | C25 | H25 | 0.5° | 0.1° |
| C26 | C27 | N28 | H281 | 180.0° | 0.0° |
| C26 | C27 | N28 | H282 | 0.0° | 180.0° |
| C27 | N28 | H281 | H282 | 180.0° | 180.0° |
| O29 | C27 | N28 | H281 | 1.6° | 180.0° |
| O29 | C27 | N28 | H282 | 178.4° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.3° | 0.1° |
| C31 | C30 | C35 | C34 | 1.1° | 0.5° |
| C31 | C30 | C35 | C36 | 179.7° | 179.7° |
| C31 | C30 | C02 | H02 | 151.1° | 145.0° |
| C30 | C31 | C32 | H32 | 179.7° | 179.9° |
| C35 | C30 | C31 | C32 | 0.6° | 0.2° |
| C30 | C35 | C34 | C33 | 0.6° | 0.4° |
| C30 | C35 | C34 | C36 | 179.3° | 179.8° |
| C30 | C35 | C36 | F37 | 177.5° | 180.0° |
| C30 | C35 | C36 | F38 | 64.5° | 60.0° |
| C30 | C35 | C36 | F39 | 57.7° | 60.0° |
| C35 | C30 | C02 | H02 | 30.6° | 35.3° |
| C35 | C30 | C31 | H31 | 179.3° | 179.7° |
| C30 | C35 | C34 | H34 | 179.4° | 179.7° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.7° | 0.1° |
| C31 | C32 | C33 | H33 | 179.3° | 179.9° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.1° |
| C33 | C32 | C31 | H31 | 179.8° | 180.0° |
| C32 | C33 | C34 | H34 | 179.7° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 179.9° | 179.8° |
| C34 | C33 | C32 | H32 | 179.3° | 180.0° |
| C34 | C35 | C36 | F37 | 3.3° | 0.2° |
| C34 | C35 | C36 | F38 | 114.7° | 119.8° |
| C34 | C35 | C36 | F39 | 123.0° | 120.2° |
| C35 | C34 | C33 | H33 | 179.8° | 179.8° |
| C35 | C36 | F37 | F38 | 118.7° | 120.0° |
| C35 | C36 | F37 | F39 | 121.3° | 120.0° |
| C35 | C36 | F38 | F39 | 123.2° | 120.0° |
| C36 | C35 | C34 | H34 | 0.1° | 0.1° |
| F37 | C36 | F38 | F39 | 119.4° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H02 | 116.8° | 60.1° |
| H012 | C01 | C02 | H02 | 123.3° | 60.0° |
| H013 | C01 | C02 | H02 | 3.3° | 180.0° |
| H24 | C24 | C25 | H25 | 0.6° | 0.0° |
| H21 | C21 | C22 | H22 | 0.6° | 0.0° |
| H14 | C14 | C15 | H151 | 54.8° | 62.4° |
| H14 | C14 | C15 | H152 | 65.9° | 57.7° |
| H14 | C14 | C20 | H201 | 58.1° | 57.6° |
| H14 | C14 | C20 | H202 | 61.8° | 62.4° |
| H151 | C15 | C16 | H161 | 50.0° | 59.1° |
| H151 | C15 | C16 | H162 | 72.0° | 60.8° |
| H152 | C15 | C16 | H161 | 170.8° | 179.1° |
| H152 | C15 | C16 | H162 | 48.7° | 59.3° |
| H201 | C20 | C19 | H191 | 176.3° | 179.2° |
| H201 | C20 | C19 | H192 | 55.0° | 59.3° |
| H202 | C20 | C19 | H191 | 56.5° | 59.1° |
| H202 | C20 | C19 | H192 | 64.9° | 60.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.1° |
| H32 | C32 | C33 | H33 | 0.7° | 0.1° |
| H33 | C33 | C34 | H34 | 0.3° | 0.0° |
