WCJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| C38 | C02 | sing | 1.53Å | 1.43Å | |
| C02 | C03 | sing | 1.51Å | 1.65Å | |
| C03 | O37 | doub | 1.21Å | 1.21Å | |
| C03 | N04 | sing | 1.35Å | 1.38Å | |
| N04 | C05 | sing | 1.40Å | 1.49Å | |
| C05 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C05 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.42Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C08 | C09 | sing | 1.48Å | 1.48Å | |
| F14 | C13 | sing | 1.35Å | 1.33Å | |
| N18 | C19 | doub | 1.32Å | 1.37Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.39Å | Aromatic |
| O16 | C17 | sing | 1.35Å | 1.39Å | |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C19 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | N23 | doub | 1.32Å | 1.37Å | Aromatic |
| C15 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C09 | N26 | sing | 1.38Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | N26 | sing | 1.46Å | 1.47Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| N26 | C28 | sing | 1.37Å | 1.40Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C29 | sing | 1.47Å | 1.46Å | Aromatic |
| C28 | C29 | doub | 1.41Å | 1.44Å | Aromatic |
| C28 | N34 | sing | 1.33Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.40Å | 1.45Å | Aromatic |
| N34 | C33 | doub | 1.32Å | 1.35Å | Aromatic |
| C30 | N31 | sing | 1.38Å | 1.38Å | |
| C30 | N32 | doub | 1.33Å | 1.38Å | Aromatic |
| C33 | N32 | sing | 1.32Å | 1.38Å | Aromatic |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H1 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N31 | H312 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C38 | 112.4° | 109.5° |
| C01 | C02 | C03 | 111.3° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 103.1° | 109.5° |
| C38 | C02 | C03 | 120.7° | 109.4° |
| C38 | C02 | H021 | 104.5° | 109.5° |
| C02 | C38 | H381 | 109.5° | 109.5° |
| C02 | C38 | H382 | 109.5° | 109.5° |
| C02 | C38 | H1 | 109.4° | 109.5° |
| C02 | C03 | O37 | 108.2° | 120.0° |
| C02 | C03 | N04 | 126.9° | 120.0° |
| C03 | C02 | H021 | 102.5° | 109.5° |
| O37 | C03 | N04 | 124.9° | 120.0° |
| C03 | N04 | C05 | 123.3° | 120.0° |
| C03 | N04 | H041 | 118.3° | 120.0° |
| N04 | C05 | C06 | 124.1° | 119.9° |
| N04 | C05 | C36 | 119.5° | 119.9° |
| C05 | N04 | H041 | 118.4° | 120.1° |
| C06 | C05 | C36 | 116.4° | 120.1° |
| C05 | C06 | C07 | 120.7° | 120.1° |
| C05 | C06 | H061 | 119.7° | 119.9° |
| C05 | C36 | C35 | 122.4° | 120.1° |
| C05 | C36 | H361 | 118.8° | 120.0° |
| C06 | C07 | C08 | 121.6° | 119.9° |
| C07 | C06 | H061 | 119.6° | 120.0° |
| C06 | C07 | H071 | 119.2° | 120.0° |
| C36 | C35 | C08 | 122.3° | 119.9° |
| C36 | C35 | H351 | 118.8° | 120.1° |
| C35 | C36 | H361 | 118.8° | 119.9° |
| C07 | C08 | C35 | 116.6° | 119.8° |
| C07 | C08 | C09 | 123.8° | 120.0° |
| C08 | C07 | H071 | 119.2° | 120.1° |
| C35 | C08 | C09 | 119.7° | 120.1° |
| C08 | C35 | H351 | 118.8° | 120.0° |
| C20 | C19 | N18 | 118.6° | 120.4° |
| C20 | C19 | C21 | 120.3° | 120.4° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C08 | C09 | N26 | 121.9° | 125.5° |
| C08 | C09 | C10 | 128.6° | 125.4° |
| F14 | C13 | C15 | 119.5° | 120.0° |
| F14 | C13 | C12 | 117.5° | 119.9° |
| C19 | N18 | C17 | 116.6° | 120.8° |
| N18 | C19 | C21 | 121.0° | 119.2° |
| N18 | C17 | O16 | 117.4° | 119.2° |
| N18 | C17 | N23 | 125.8° | 121.6° |
| C17 | O16 | C15 | 121.5° | 118.0° |
| O16 | C17 | N23 | 116.7° | 119.2° |
| O16 | C15 | C13 | 120.6° | 119.9° |
| O16 | C15 | C24 | 123.6° | 119.9° |
| C19 | C21 | C22 | 117.5° | 118.6° |
| C19 | C21 | H211 | 121.3° | 120.7° |
| C15 | C13 | C12 | 123.0° | 120.0° |
| C13 | C15 | C24 | 115.8° | 120.2° |
| C13 | C12 | C11 | 120.1° | 119.9° |
| C13 | C12 | H121 | 120.0° | 120.1° |
| C17 | N23 | C22 | 115.4° | 120.8° |
| C15 | C24 | C25 | 121.6° | 120.1° |
| C15 | C24 | H241 | 119.2° | 119.9° |
| C12 | C11 | C25 | 117.2° | 119.8° |
| C12 | C11 | C10 | 121.6° | 120.1° |
| C11 | C12 | H121 | 119.9° | 120.1° |
| N26 | C09 | C10 | 109.4° | 109.1° |
| C09 | N26 | C27 | 123.2° | 124.8° |
| C09 | N26 | C28 | 108.2° | 110.3° |
| C09 | C10 | C11 | 126.0° | 126.9° |
| C09 | C10 | C29 | 107.7° | 106.3° |
| C27 | N26 | C28 | 128.6° | 124.9° |
| N26 | C27 | H273 | 109.5° | 109.5° |
| N26 | C27 | H271 | 109.4° | 109.5° |
| N26 | C27 | H272 | 109.5° | 109.5° |
| C24 | C25 | C11 | 122.3° | 120.0° |
| C25 | C24 | H241 | 119.2° | 119.9° |
| C24 | C25 | H251 | 118.8° | 120.1° |
| C21 | C22 | N23 | 123.7° | 119.1° |
| C22 | C21 | H211 | 121.3° | 120.7° |
| C21 | C22 | H221 | 118.2° | 120.4° |
| C25 | C11 | C10 | 121.2° | 120.1° |
| C11 | C25 | H251 | 118.8° | 120.0° |
| C11 | C10 | C29 | 126.3° | 126.9° |
| N26 | C28 | C29 | 109.1° | 107.9° |
| N26 | C28 | N34 | 125.8° | 133.7° |
| N23 | C22 | H221 | 118.2° | 120.4° |
| C10 | C29 | C28 | 105.7° | 106.5° |
| C10 | C29 | C30 | 138.5° | 134.8° |
| C29 | C28 | N34 | 125.1° | 118.4° |
| C28 | C29 | C30 | 115.9° | 118.7° |
| C28 | N34 | C33 | 113.2° | 120.8° |
| C29 | C30 | N31 | 124.4° | 120.8° |
| C29 | C30 | N32 | 118.9° | 118.4° |
| N34 | C33 | N32 | 128.4° | 122.7° |
| N34 | C33 | H331 | 115.8° | 118.6° |
| N31 | C30 | N32 | 116.7° | 120.8° |
| C30 | N31 | H312 | 109.5° | 120.0° |
| C30 | N31 | H311 | 109.5° | 120.0° |
| C30 | N32 | C33 | 118.4° | 120.9° |
| N32 | C33 | H331 | 115.8° | 118.6° |
| H203 | C20 | H201 | 109.4° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.4° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H1 | 109.5° | 109.4° |
| H382 | C38 | H1 | 109.5° | 109.5° |
| H312 | N31 | H311 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C38 | C03 | 134.5° | 120.0° |
| C01 | C02 | C38 | H021 | 111.1° | 120.0° |
| C01 | C02 | C03 | H021 | 109.6° | 120.0° |
| C01 | C02 | C03 | O37 | 28.4° | 0.0° |
| C01 | C02 | C03 | N04 | 152.6° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C38 | H381 | 180.0° | 60.0° |
| C01 | C02 | C38 | H382 | 60.0° | 180.0° |
| C01 | C02 | C38 | H1 | 60.0° | 60.0° |
| C38 | C02 | C03 | H021 | 115.5° | 120.0° |
| C38 | C02 | C03 | O37 | 163.3° | 120.0° |
| C38 | C02 | C03 | N04 | 17.7° | 60.0° |
| C38 | C02 | C01 | H011 | 180.0° | 180.0° |
| C38 | C02 | C01 | H013 | 60.0° | 60.0° |
| C38 | C02 | C01 | H012 | 60.0° | 60.0° |
| C02 | C38 | H381 | H382 | 120.0° | 120.1° |
| C02 | C38 | H381 | H1 | 120.0° | 120.0° |
| C02 | C38 | H382 | H1 | 120.0° | 120.1° |
| C02 | C03 | O37 | N04 | 179.0° | 180.0° |
| C02 | C03 | N04 | C05 | 177.6° | 175.7° |
| C03 | C02 | C01 | H011 | 41.2° | 60.0° |
| C03 | C02 | C01 | H013 | 161.2° | 180.0° |
| C03 | C02 | C01 | H012 | 78.8° | 60.0° |
| C03 | C02 | C38 | H381 | 45.5° | 180.0° |
| C03 | C02 | C38 | H382 | 74.5° | 60.0° |
| C03 | C02 | C38 | H1 | 165.5° | 60.0° |
| C02 | C03 | N04 | H041 | 2.4° | 4.2° |
| O37 | C03 | N04 | C05 | 1.2° | 4.3° |
| O37 | C03 | C02 | H021 | 81.2° | 120.0° |
| O37 | C03 | N04 | H041 | 178.9° | 175.8° |
| C03 | N04 | C05 | H041 | 180.0° | 180.0° |
| C03 | N04 | C05 | C06 | 67.1° | 146.8° |
| C03 | N04 | C05 | C36 | 110.8° | 33.4° |
| N04 | C03 | C02 | H021 | 97.7° | 60.0° |
| N04 | C05 | C06 | C36 | 178.0° | 179.7° |
| N04 | C05 | C06 | C07 | 179.2° | 179.7° |
| N04 | C05 | C36 | C35 | 179.3° | 179.7° |
| N04 | C05 | C06 | H061 | 0.8° | 0.3° |
| N04 | C05 | C36 | H361 | 0.7° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C36 | C35 | 1.2° | 0.0° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C05 | C06 | C07 | H071 | 179.4° | 179.9° |
| C06 | C05 | C36 | H361 | 178.8° | 180.0° |
| C06 | C05 | N04 | H041 | 113.0° | 33.2° |
| C36 | C05 | C06 | C07 | 1.3° | 0.0° |
| C05 | C36 | C35 | H361 | 180.0° | 180.0° |
| C05 | C36 | C35 | C08 | 0.5° | 0.1° |
| C36 | C05 | C06 | H061 | 178.8° | 180.0° |
| C05 | C36 | C35 | H351 | 179.5° | 180.0° |
| C36 | C05 | N04 | H041 | 69.1° | 146.5° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C35 | 0.2° | 0.0° |
| C06 | C07 | C08 | C09 | 179.8° | 179.9° |
| C36 | C35 | C08 | C07 | 0.3° | 0.1° |
| C36 | C35 | C08 | H351 | 180.0° | 179.9° |
| C36 | C35 | C08 | C09 | 179.8° | 180.0° |
| C07 | C08 | C35 | C09 | 179.6° | 179.9° |
| C07 | C08 | C09 | N26 | 96.6° | 47.7° |
| C07 | C08 | C09 | C10 | 87.3° | 132.4° |
| C08 | C07 | C06 | H061 | 179.5° | 180.0° |
| C07 | C08 | C35 | H351 | 179.8° | 180.0° |
| C35 | C08 | C09 | N26 | 82.9° | 132.4° |
| C35 | C08 | C09 | C10 | 93.2° | 47.5° |
| C35 | C08 | C07 | H071 | 179.8° | 180.0° |
| C08 | C35 | C36 | H361 | 179.5° | 180.0° |
| C20 | C19 | N18 | C21 | 179.6° | 180.0° |
| C20 | C19 | N18 | C17 | 179.9° | 180.0° |
| C20 | C19 | C21 | C22 | 180.0° | 180.0° |
| C19 | C20 | H203 | H201 | 120.0° | 120.0° |
| C19 | C20 | H203 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C20 | C19 | C21 | H211 | 0.0° | 0.0° |
| C08 | C09 | N26 | C10 | 176.8° | 179.9° |
| C08 | C09 | N26 | C27 | 2.5° | 0.0° |
| C08 | C09 | C10 | C11 | 4.2° | 0.2° |
| C08 | C09 | N26 | C28 | 178.6° | 180.0° |
| C08 | C09 | C10 | C29 | 178.4° | 180.0° |
| C09 | C08 | C07 | H071 | 0.2° | 0.1° |
| C09 | C08 | C35 | H351 | 0.2° | 0.1° |
| F14 | C13 | C15 | O16 | 0.1° | 0.2° |
| F14 | C13 | C15 | C12 | 179.8° | 179.8° |
| F14 | C13 | C15 | C24 | 179.8° | 179.7° |
| F14 | C13 | C12 | C11 | 179.6° | 179.8° |
| F14 | C13 | C12 | H121 | 0.3° | 0.2° |
| C19 | N18 | C17 | O16 | 179.8° | 179.8° |
| C19 | N18 | C17 | N23 | 0.2° | 0.0° |
| N18 | C19 | C21 | C22 | 0.4° | 0.0° |
| N18 | C19 | C20 | H203 | 0.0° | 90.0° |
| N18 | C19 | C20 | H201 | 120.0° | 29.9° |
| N18 | C19 | C20 | H202 | 120.0° | 149.9° |
| N18 | C19 | C21 | H211 | 179.6° | 180.0° |
| N18 | C17 | O16 | N23 | 179.6° | 179.7° |
| N18 | C17 | O16 | C15 | 161.3° | 174.5° |
| C17 | N18 | C19 | C21 | 0.3° | 0.0° |
| N18 | C17 | N23 | C22 | 0.2° | 0.0° |
| C17 | O16 | C15 | C13 | 50.7° | 85.9° |
| C17 | O16 | C15 | C24 | 129.6° | 94.1° |
| O16 | C17 | N23 | C22 | 179.7° | 179.7° |
| O16 | C15 | C13 | C24 | 179.7° | 179.9° |
| O16 | C15 | C13 | C12 | 180.0° | 180.0° |
| C15 | O16 | C17 | N23 | 18.3° | 5.2° |
| O16 | C15 | C24 | C25 | 179.7° | 180.0° |
| O16 | C15 | C24 | H241 | 0.3° | 0.0° |
| C19 | C21 | C22 | H211 | 180.0° | 180.0° |
| C19 | C21 | C22 | N23 | 0.4° | 0.0° |
| C21 | C19 | C20 | H203 | 179.6° | 90.0° |
| C21 | C19 | C20 | H201 | 59.6° | 150.0° |
| C21 | C19 | C20 | H202 | 60.4° | 30.0° |
| C19 | C21 | C22 | H221 | 179.7° | 180.0° |
| C15 | C13 | C12 | C11 | 0.2° | 0.1° |
| C13 | C15 | C24 | C25 | 0.0° | 0.0° |
| C13 | C15 | C24 | H241 | 180.0° | 180.0° |
| C15 | C13 | C12 | H121 | 179.8° | 180.0° |
| C12 | C13 | C15 | C24 | 0.3° | 0.1° |
| C13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C13 | C12 | C11 | C25 | 1.0° | 0.0° |
| C13 | C12 | C11 | C10 | 178.9° | 180.0° |
| C17 | N23 | C22 | C21 | 0.2° | 0.0° |
| C17 | N23 | C22 | H221 | 179.8° | 180.0° |
| C15 | C24 | C25 | H241 | 180.0° | 180.0° |
| C15 | C24 | C25 | C11 | 0.9° | 0.0° |
| C15 | C24 | C25 | H251 | 179.1° | 179.9° |
| C12 | C11 | C10 | C09 | 44.3° | 112.3° |
| C12 | C11 | C25 | C24 | 1.4° | 0.0° |
| C12 | C11 | C25 | C10 | 177.9° | 180.0° |
| C12 | C11 | C10 | C29 | 138.7° | 67.5° |
| C12 | C11 | C25 | H251 | 178.6° | 180.0° |
| C09 | N26 | C27 | C28 | 178.7° | 180.0° |
| N26 | C09 | C10 | C11 | 179.3° | 179.8° |
| N26 | C09 | C10 | C29 | 1.9° | 0.0° |
| C09 | N26 | C28 | C29 | 1.0° | 0.0° |
| C09 | N26 | C28 | N34 | 180.0° | 179.9° |
| C09 | N26 | C27 | H273 | 180.0° | 90.0° |
| C09 | N26 | C27 | H271 | 60.0° | 150.0° |
| C09 | N26 | C27 | H272 | 60.0° | 30.0° |
| C10 | C09 | N26 | C27 | 179.3° | 180.0° |
| C09 | C10 | C11 | C25 | 133.5° | 67.7° |
| C09 | C10 | C11 | C29 | 177.0° | 179.8° |
| C10 | C09 | N26 | C28 | 1.8° | 0.0° |
| C09 | C10 | C29 | C28 | 1.2° | 0.1° |
| C09 | C10 | C29 | C30 | 179.5° | 180.0° |
| C27 | N26 | C28 | C29 | 179.8° | 180.0° |
| C27 | N26 | C28 | N34 | 1.1° | 0.1° |
| N26 | C27 | H273 | H271 | 120.0° | 120.1° |
| N26 | C27 | H273 | H272 | 120.0° | 120.0° |
| N26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C24 | C25 | C11 | H251 | 180.0° | 179.9° |
| C24 | C25 | C11 | C10 | 179.3° | 180.0° |
| C21 | C22 | N23 | H221 | 180.0° | 180.0° |
| C25 | C11 | C10 | C29 | 43.5° | 112.5° |
| C11 | C25 | C24 | H241 | 179.1° | 180.0° |
| C25 | C11 | C12 | H121 | 179.0° | 179.9° |
| C11 | C10 | C29 | C28 | 178.7° | 179.8° |
| C11 | C10 | C29 | C30 | 2.1° | 0.2° |
| C10 | C11 | C12 | H121 | 1.1° | 0.1° |
| C10 | C11 | C25 | H251 | 0.7° | 0.0° |
| N26 | C28 | C29 | C10 | 0.2° | 0.0° |
| N26 | C28 | C29 | N34 | 179.1° | 179.9° |
| N26 | C28 | C29 | C30 | 179.6° | 180.0° |
| N26 | C28 | N34 | C33 | 179.8° | 180.0° |
| C28 | N26 | C27 | H273 | 1.3° | 90.1° |
| C28 | N26 | C27 | H271 | 121.3° | 30.0° |
| C28 | N26 | C27 | H272 | 118.7° | 150.0° |
| N23 | C22 | C21 | H211 | 179.7° | 180.0° |
| C10 | C29 | C28 | C30 | 179.4° | 180.0° |
| C10 | C29 | C28 | N34 | 178.9° | 180.0° |
| C10 | C29 | C30 | N31 | 0.7° | 0.1° |
| C10 | C29 | C30 | N32 | 179.2° | 180.0° |
| C29 | C28 | N34 | C33 | 0.8° | 0.1° |
| C28 | C29 | C30 | N31 | 179.9° | 179.9° |
| C28 | C29 | C30 | N32 | 0.0° | 0.0° |
| N34 | C28 | C29 | C30 | 0.5° | 0.0° |
| C28 | N34 | C33 | N32 | 0.7° | 0.1° |
| C28 | N34 | C33 | H331 | 179.3° | 180.0° |
| C29 | C30 | N31 | N32 | 179.9° | 179.9° |
| C29 | C30 | N32 | C33 | 0.1° | 0.0° |
| C29 | C30 | N31 | H312 | 179.9° | 0.1° |
| C29 | C30 | N31 | H311 | 60.1° | 180.0° |
| N34 | C33 | N32 | C30 | 0.3° | 0.1° |
| N34 | C33 | N32 | H331 | 180.0° | 179.9° |
| N31 | C30 | N32 | C33 | 179.7° | 179.9° |
| C30 | N31 | H312 | H311 | 120.0° | 179.9° |
| C30 | N32 | C33 | H331 | 179.7° | 180.0° |
| N32 | C30 | N31 | H312 | 0.0° | 180.0° |
| N32 | C30 | N31 | H311 | 120.0° | 0.1° |
| H203 | C20 | H201 | H202 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H241 | C24 | C25 | H251 | 0.9° | 0.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 68.0° | 60.0° |
| H013 | C01 | C02 | H021 | 52.0° | 60.0° |
| H012 | C01 | C02 | H021 | 172.0° | 180.0° |
| H021 | C02 | C38 | H381 | 68.9° | 60.1° |
| H021 | C02 | C38 | H382 | 171.1° | 60.0° |
| H021 | C02 | C38 | H1 | 51.1° | 180.0° |
| H061 | C06 | C07 | H071 | 0.5° | 0.0° |
| H273 | C27 | H271 | H272 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 0.5° | 0.0° |
| H381 | C38 | H382 | H1 | 120.0° | 119.9° |
