WOF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.46Å | 1.46Å | |
| C03 | N02 | sing | 1.39Å | 1.43Å | |
| C04 | C03 | doub | 1.40Å | 1.46Å | Aromatic |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C09 | C04 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C09 | doub | 1.42Å | 1.44Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| S13 | C12 | sing | 1.75Å | 1.71Å | Aromatic |
| C14 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | sing | 1.53Å | 1.49Å | |
| N18 | C17 | sing | 1.47Å | 1.35Å | |
| O20 | C19 | sing | 1.43Å | 1.52Å | |
| C21 | O20 | sing | 1.43Å | 1.44Å | |
| O23 | C22 | doub | 1.21Å | 1.25Å | |
| O24 | C22 | sing | 1.34Å | 1.28Å | |
| C22 | C21 | sing | 1.51Å | 1.48Å | |
| C25 | C21 | sing | 1.53Å | 1.53Å | |
| O26 | C25 | sing | 1.43Å | 1.42Å | |
| C27 | C25 | sing | 1.53Å | 1.47Å | |
| O28 | C27 | sing | 1.43Å | 1.45Å | |
| C29 | C27 | sing | 1.53Å | 1.46Å | |
| O30 | C29 | sing | 1.43Å | 1.45Å | |
| C19 | N18 | sing | 1.47Å | 1.32Å | |
| C31 | N18 | sing | 1.47Å | 1.38Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| N15 | C14 | sing | 1.39Å | 1.48Å | |
| N33 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
| N34 | N33 | sing | 1.28Å | 1.33Å | Aromatic |
| N35 | N34 | doub | 1.28Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.48Å | Aromatic |
| C36 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N37 | C36 | doub | 1.34Å | 1.33Å | Aromatic |
| C03 | N37 | sing | 1.32Å | 1.32Å | Aromatic |
| C08 | C09 | sing | 1.50Å | 1.56Å | |
| C11 | N35 | sing | 1.35Å | 1.37Å | Aromatic |
| S13 | C36 | sing | 1.76Å | 1.72Å | Aromatic |
| N15 | C32 | sing | 1.47Å | 1.46Å | |
| C19 | C29 | sing | 1.53Å | 1.54Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| O24 | H2 | sing | 0.97Å | 0.95Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 118.0° | 120.0° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.4° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C01 | N02 | H021 | 107.3° | 120.1° |
| N02 | C03 | C04 | 120.2° | 119.4° |
| N02 | C03 | N37 | 118.1° | 119.4° |
| C03 | N02 | H021 | 107.3° | 119.9° |
| C03 | C04 | C05 | 117.7° | 118.2° |
| C03 | C04 | C09 | 120.1° | 119.1° |
| C04 | C03 | N37 | 121.7° | 121.2° |
| C05 | C06 | C07 | 111.5° | 108.4° |
| C06 | C05 | C04 | 111.0° | 110.5° |
| C06 | C05 | H051 | 109.1° | 109.3° |
| C06 | C05 | H052 | 109.1° | 109.3° |
| C05 | C06 | H062 | 109.0° | 109.6° |
| C05 | C06 | H061 | 109.0° | 109.6° |
| C06 | C07 | C08 | 111.8° | 108.2° |
| C07 | C06 | H062 | 109.0° | 109.6° |
| C07 | C06 | H061 | 109.0° | 109.8° |
| C06 | C07 | H071 | 108.9° | 109.7° |
| C06 | C07 | H072 | 108.9° | 109.7° |
| C07 | C08 | C09 | 112.3° | 110.3° |
| C08 | C07 | H071 | 108.9° | 110.0° |
| C08 | C07 | H072 | 108.9° | 109.6° |
| C07 | C08 | H082 | 108.7° | 109.3° |
| C07 | C08 | H081 | 108.7° | 109.3° |
| C05 | C04 | C09 | 122.2° | 122.7° |
| C04 | C05 | H051 | 109.1° | 109.2° |
| C04 | C05 | H052 | 109.1° | 109.3° |
| C04 | C09 | C10 | 116.6° | 119.0° |
| C04 | C09 | C08 | 121.8° | 123.1° |
| C09 | C10 | C11 | 125.5° | 128.1° |
| C09 | C10 | C36 | 119.4° | 119.0° |
| C10 | C09 | C08 | 121.6° | 117.8° |
| C11 | C12 | S13 | 106.1° | 110.9° |
| C11 | C12 | C14 | 117.0° | 117.9° |
| C12 | C11 | C10 | 113.1° | 112.7° |
| C12 | C11 | N35 | 118.6° | 117.9° |
| S13 | C12 | C14 | 136.9° | 131.2° |
| C12 | S13 | C36 | 100.2° | 92.9° |
| C12 | C14 | N15 | 118.2° | 120.9° |
| C12 | C14 | N33 | 120.5° | 118.3° |
| N15 | C16 | C17 | 117.4° | 109.4° |
| C16 | N15 | C14 | 111.6° | 111.0° |
| C16 | N15 | C32 | 113.1° | 110.9° |
| N15 | C16 | H161 | 107.5° | 109.5° |
| N15 | C16 | H162 | 107.4° | 109.4° |
| C16 | C17 | N18 | 114.1° | 109.4° |
| C16 | C17 | H172 | 108.3° | 109.5° |
| C16 | C17 | H171 | 108.3° | 109.5° |
| C17 | C16 | H161 | 107.4° | 109.5° |
| C17 | C16 | H162 | 107.5° | 109.5° |
| C17 | N18 | C19 | 107.1° | 111.0° |
| C17 | N18 | C31 | 111.0° | 110.9° |
| N18 | C17 | H172 | 108.3° | 109.5° |
| N18 | C17 | H171 | 108.3° | 109.5° |
| C19 | O20 | C21 | 117.4° | 114.1° |
| O20 | C19 | N18 | 100.9° | 109.4° |
| O20 | C19 | C29 | 112.2° | 109.4° |
| O20 | C19 | H191 | 106.8° | 109.5° |
| O20 | C21 | C22 | 111.2° | 109.5° |
| O20 | C21 | C25 | 113.8° | 109.4° |
| O20 | C21 | H211 | 109.6° | 109.5° |
| O23 | C22 | O24 | 120.9° | 120.1° |
| O23 | C22 | C21 | 120.9° | 119.9° |
| O24 | C22 | C21 | 118.2° | 120.0° |
| C22 | O24 | H2 | 109.5° | 117.0° |
| C22 | C21 | C25 | 104.6° | 109.5° |
| C22 | C21 | H211 | 109.1° | 109.5° |
| C21 | C25 | O26 | 108.0° | 109.5° |
| C21 | C25 | C27 | 109.1° | 109.2° |
| C25 | C21 | H211 | 108.3° | 109.4° |
| C21 | C25 | H251 | 109.2° | 109.6° |
| O26 | C25 | C27 | 109.6° | 109.6° |
| O26 | C25 | H251 | 110.8° | 109.5° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| C25 | C27 | O28 | 107.8° | 109.6° |
| C25 | C27 | C29 | 110.2° | 109.0° |
| C27 | C25 | H251 | 110.1° | 109.5° |
| C25 | C27 | H271 | 109.7° | 109.6° |
| O28 | C27 | C29 | 109.4° | 109.6° |
| O28 | C27 | H271 | 109.9° | 109.6° |
| C27 | O28 | H281 | 109.5° | 113.9° |
| C27 | C29 | O30 | 105.9° | 109.5° |
| C27 | C29 | C19 | 115.0° | 109.2° |
| C29 | C27 | H271 | 109.9° | 109.5° |
| C27 | C29 | H291 | 110.2° | 109.6° |
| O30 | C29 | C19 | 106.1° | 109.5° |
| O30 | C29 | H291 | 110.4° | 109.6° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| C19 | N18 | C31 | 121.4° | 111.0° |
| N18 | C19 | C29 | 120.4° | 109.5° |
| N18 | C19 | H191 | 109.4° | 109.5° |
| N18 | C31 | C32 | 113.7° | 109.4° |
| N18 | C31 | H312 | 108.4° | 109.5° |
| N18 | C31 | H311 | 108.4° | 109.5° |
| C31 | C32 | N15 | 119.1° | 109.4° |
| C32 | C31 | H312 | 108.4° | 109.5° |
| C32 | C31 | H311 | 108.4° | 109.5° |
| C31 | C32 | H322 | 107.0° | 109.4° |
| C31 | C32 | H321 | 107.0° | 109.5° |
| N15 | C14 | N33 | 121.2° | 120.8° |
| C14 | N15 | C32 | 118.3° | 111.0° |
| C14 | N33 | N34 | 118.9° | 121.2° |
| N33 | N34 | N35 | 124.2° | 123.4° |
| N34 | N35 | C11 | 120.8° | 121.3° |
| C11 | C10 | C36 | 115.1° | 112.9° |
| C10 | C11 | N35 | 128.3° | 129.4° |
| C10 | C36 | N37 | 122.9° | 119.8° |
| C10 | C36 | S13 | 105.5° | 110.6° |
| C36 | N37 | C03 | 119.4° | 121.9° |
| N37 | C36 | S13 | 131.6° | 129.6° |
| C09 | C08 | H082 | 108.8° | 108.9° |
| C09 | C08 | H081 | 108.7° | 109.7° |
| N15 | C32 | H322 | 107.0° | 109.5° |
| N15 | C32 | H321 | 107.0° | 109.5° |
| C29 | C19 | H191 | 106.5° | 109.5° |
| C19 | C29 | H291 | 109.1° | 109.5° |
| H172 | C17 | H171 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.2° |
| H062 | C06 | H061 | 109.4° | 109.7° |
| H071 | C07 | H072 | 109.5° | 109.7° |
| H082 | C08 | H081 | 109.5° | 109.2° |
| H161 | C16 | H162 | 109.4° | 109.6° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H021 | 121.2° | 179.9° |
| C01 | N02 | C03 | C04 | 103.2° | 179.8° |
| C01 | N02 | C03 | N37 | 76.2° | 0.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C03 | C04 | N37 | 179.4° | 179.8° |
| N02 | C03 | C04 | C05 | 0.6° | 0.3° |
| N02 | C03 | C04 | C09 | 180.0° | 179.7° |
| N02 | C03 | N37 | C36 | 179.8° | 179.9° |
| C03 | N02 | C01 | H012 | 180.0° | 60.0° |
| C03 | N02 | C01 | H013 | 60.0° | 60.0° |
| C03 | N02 | C01 | H011 | 60.0° | 180.0° |
| C03 | C04 | C05 | C06 | 161.2° | 162.4° |
| C03 | C04 | C05 | C09 | 179.4° | 180.0° |
| C03 | C04 | C09 | C10 | 0.5° | 0.6° |
| C04 | C03 | N37 | C36 | 0.4° | 0.1° |
| C03 | C04 | C09 | C08 | 179.8° | 179.2° |
| C03 | C04 | C05 | H051 | 78.5° | 77.3° |
| C03 | C04 | C05 | H052 | 41.0° | 42.1° |
| C04 | C03 | N02 | H021 | 135.6° | 0.1° |
| C05 | C06 | C07 | H062 | 120.3° | 119.7° |
| C05 | C06 | C07 | H061 | 120.3° | 119.8° |
| C05 | C06 | C07 | C08 | 63.9° | 69.5° |
| C06 | C05 | C04 | H051 | 120.2° | 120.3° |
| C06 | C05 | C04 | H052 | 120.2° | 120.3° |
| C06 | C05 | C04 | C09 | 18.2° | 17.6° |
| C06 | C05 | H051 | H052 | 119.3° | 119.5° |
| C05 | C06 | H062 | H061 | 119.1° | 120.4° |
| C05 | C06 | C07 | H071 | 175.8° | 50.4° |
| C05 | C06 | C07 | H072 | 56.5° | 171.0° |
| C06 | C07 | C08 | H071 | 120.4° | 119.8° |
| C06 | C07 | C08 | H072 | 120.3° | 119.5° |
| C07 | C06 | C05 | C04 | 49.5° | 50.8° |
| C06 | C07 | C08 | C09 | 42.9° | 51.0° |
| C07 | C06 | C05 | H051 | 70.7° | 69.4° |
| C07 | C06 | C05 | H052 | 169.7° | 171.1° |
| C07 | C06 | H062 | H061 | 119.1° | 120.6° |
| C06 | C07 | H071 | H072 | 118.9° | 120.6° |
| C06 | C07 | C08 | H082 | 77.5° | 170.8° |
| C06 | C07 | C08 | H081 | 163.3° | 69.7° |
| C07 | C08 | C09 | C04 | 11.6° | 18.0° |
| C07 | C08 | C09 | C10 | 168.1° | 162.3° |
| C07 | C08 | C09 | H082 | 120.4° | 120.0° |
| C07 | C08 | C09 | H081 | 120.4° | 120.5° |
| C08 | C07 | C06 | H062 | 56.4° | 170.8° |
| C08 | C07 | C06 | H061 | 175.8° | 50.2° |
| C08 | C07 | H071 | H072 | 118.9° | 120.6° |
| C07 | C08 | H082 | H081 | 118.7° | 119.6° |
| C05 | C04 | C09 | C10 | 179.9° | 179.4° |
| C05 | C04 | C03 | N37 | 180.0° | 179.5° |
| C05 | C04 | C09 | C08 | 0.4° | 0.9° |
| C04 | C05 | H051 | H052 | 119.3° | 119.5° |
| C04 | C05 | C06 | H062 | 70.8° | 170.5° |
| C04 | C05 | C06 | H061 | 169.8° | 69.0° |
| C04 | C09 | C10 | C08 | 179.7° | 179.7° |
| C04 | C09 | C10 | C11 | 179.9° | 179.9° |
| C04 | C09 | C10 | C36 | 0.2° | 0.3° |
| C09 | C04 | C03 | N37 | 0.6° | 0.5° |
| C09 | C04 | C05 | H051 | 102.0° | 102.6° |
| C09 | C04 | C05 | H052 | 138.4° | 137.9° |
| C04 | C09 | C08 | H082 | 108.8° | 138.0° |
| C04 | C09 | C08 | H081 | 132.0° | 102.5° |
| C09 | C10 | C11 | C12 | 179.8° | 180.0° |
| C09 | C10 | C11 | C36 | 179.9° | 179.7° |
| C09 | C10 | C36 | N37 | 0.1° | 0.0° |
| C09 | C10 | C11 | N35 | 0.1° | 0.1° |
| C09 | C10 | C36 | S13 | 179.9° | 179.9° |
| C10 | C09 | C08 | H082 | 71.5° | 42.2° |
| C10 | C09 | C08 | H081 | 47.7° | 77.2° |
| C11 | C12 | S13 | C14 | 179.6° | 179.9° |
| C11 | C12 | C14 | N15 | 179.1° | 179.9° |
| C11 | C12 | C14 | N33 | 0.8° | 0.1° |
| C12 | C11 | N35 | N34 | 0.1° | 0.1° |
| C12 | C11 | C10 | N35 | 179.9° | 180.0° |
| C12 | C11 | C10 | C36 | 0.1° | 0.3° |
| C11 | C12 | S13 | C36 | 0.1° | 0.0° |
| S13 | C12 | C14 | N15 | 1.3° | 0.2° |
| S13 | C12 | C14 | N33 | 179.7° | 179.8° |
| S13 | C12 | C11 | C10 | 0.1° | 0.1° |
| C12 | S13 | C36 | C10 | 0.1° | 0.2° |
| C12 | S13 | C36 | N37 | 179.9° | 179.9° |
| S13 | C12 | C11 | N35 | 179.9° | 179.8° |
| C12 | C14 | N15 | C16 | 46.7° | 180.0° |
| C12 | C14 | N15 | N33 | 178.4° | 180.0° |
| C12 | C14 | N33 | N34 | 0.7° | 0.1° |
| C14 | C12 | C11 | C10 | 179.6° | 179.9° |
| C14 | C12 | C11 | N35 | 0.4° | 0.1° |
| C14 | C12 | S13 | C36 | 179.5° | 179.9° |
| C12 | C14 | N15 | C32 | 179.6° | 56.2° |
| N15 | C16 | C17 | H161 | 121.2° | 120.0° |
| N15 | C16 | C17 | H162 | 121.1° | 119.9° |
| N15 | C16 | C17 | N18 | 45.1° | 58.4° |
| C16 | N15 | C32 | C31 | 18.0° | 59.3° |
| C16 | N15 | C14 | C32 | 133.8° | 123.8° |
| C16 | N15 | C14 | N33 | 131.7° | 0.0° |
| N15 | C16 | C17 | H172 | 165.8° | 178.3° |
| N15 | C16 | C17 | H171 | 75.6° | 61.6° |
| N15 | C16 | H161 | H162 | 116.4° | 120.0° |
| C16 | N15 | C32 | H322 | 103.3° | 60.6° |
| C16 | N15 | C32 | H321 | 139.4° | 179.3° |
| C16 | C17 | N18 | H172 | 120.7° | 119.9° |
| C16 | C17 | N18 | H171 | 120.7° | 120.0° |
| C16 | C17 | N18 | C19 | 164.6° | 176.8° |
| C16 | C17 | N18 | C31 | 60.8° | 59.3° |
| C17 | C16 | N15 | C14 | 158.8° | 176.8° |
| C17 | C16 | N15 | C32 | 22.5° | 59.3° |
| C16 | C17 | H172 | H171 | 117.9° | 120.1° |
| C17 | C16 | H161 | H162 | 116.4° | 120.1° |
| C17 | N18 | C19 | O20 | 94.4° | 58.8° |
| C17 | N18 | C19 | C31 | 128.8° | 123.8° |
| C17 | N18 | C31 | C32 | 54.9° | 59.3° |
| C17 | N18 | C19 | C29 | 141.7° | 61.2° |
| N18 | C17 | H172 | H171 | 117.9° | 120.1° |
| C17 | N18 | C19 | H191 | 18.0° | 178.8° |
| N18 | C17 | C16 | H161 | 76.1° | 178.4° |
| N18 | C17 | C16 | H162 | 166.2° | 61.5° |
| C17 | N18 | C31 | H312 | 175.5° | 60.6° |
| C17 | N18 | C31 | H311 | 65.7° | 179.3° |
| C19 | O20 | C21 | C22 | 102.3° | 178.9° |
| C19 | O20 | C21 | C25 | 15.5° | 61.1° |
| O20 | C19 | C29 | C27 | 14.3° | 57.6° |
| O20 | C19 | C29 | O30 | 102.4° | 177.5° |
| O20 | C19 | N18 | C29 | 123.9° | 120.0° |
| O20 | C19 | N18 | H191 | 112.4° | 120.0° |
| O20 | C19 | N18 | C31 | 136.8° | 65.0° |
| O20 | C19 | C29 | H191 | 116.5° | 120.0° |
| C19 | O20 | C21 | H211 | 137.0° | 58.8° |
| O20 | C19 | C29 | H291 | 138.7° | 62.3° |
| O20 | C21 | C22 | O23 | 28.1° | 5.0° |
| O20 | C21 | C22 | O24 | 153.2° | 175.0° |
| O20 | C21 | C22 | C25 | 123.3° | 120.0° |
| O20 | C21 | C22 | H211 | 121.0° | 120.1° |
| O20 | C21 | C25 | H211 | 122.1° | 120.0° |
| O20 | C21 | C25 | O26 | 158.8° | 177.6° |
| O20 | C21 | C25 | C27 | 39.7° | 57.6° |
| C21 | O20 | C19 | N18 | 86.2° | 178.8° |
| C21 | O20 | C19 | C29 | 43.2° | 61.1° |
| C21 | O20 | C19 | H191 | 159.5° | 58.9° |
| O20 | C21 | C25 | H251 | 80.6° | 62.3° |
| O23 | C22 | O24 | C21 | 178.7° | 180.0° |
| O23 | C22 | C21 | C25 | 95.2° | 115.0° |
| O23 | C22 | C21 | H211 | 149.0° | 125.1° |
| O23 | C22 | O24 | H2 | 0.0° | 0.0° |
| O24 | C22 | C21 | C25 | 83.5° | 65.0° |
| O24 | C22 | C21 | H211 | 32.2° | 54.9° |
| C22 | C21 | C25 | H211 | 116.3° | 120.0° |
| C22 | C21 | C25 | O26 | 79.6° | 62.4° |
| C22 | C21 | C25 | C27 | 161.3° | 177.6° |
| C22 | C21 | C25 | H251 | 41.0° | 57.7° |
| C21 | C22 | O24 | H2 | 178.7° | 180.0° |
| C21 | C25 | O26 | C27 | 118.7° | 119.7° |
| C21 | C25 | O26 | H251 | 119.6° | 120.2° |
| C21 | C25 | C27 | H251 | 119.8° | 120.0° |
| C21 | C25 | C27 | O28 | 172.1° | 176.9° |
| C21 | C25 | C27 | C29 | 68.6° | 57.0° |
| C21 | C25 | C27 | H271 | 52.5° | 62.8° |
| C21 | C25 | O26 | H261 | 180.0° | 60.0° |
| O26 | C25 | C27 | H251 | 122.2° | 120.1° |
| O26 | C25 | C27 | O28 | 54.1° | 63.1° |
| O26 | C25 | C27 | C29 | 173.4° | 176.9° |
| O26 | C25 | C21 | H211 | 36.6° | 57.6° |
| O26 | C25 | C27 | H271 | 65.5° | 57.1° |
| C25 | C27 | O28 | C29 | 119.9° | 119.6° |
| C25 | C27 | O28 | H271 | 119.5° | 120.2° |
| C25 | C27 | C29 | H271 | 121.0° | 119.9° |
| C25 | C27 | C29 | O30 | 156.6° | 176.9° |
| C25 | C27 | C29 | C19 | 39.8° | 57.0° |
| C27 | C25 | C21 | H211 | 82.4° | 62.4° |
| C25 | C27 | O28 | H281 | 180.0° | 60.0° |
| C25 | C27 | C29 | H291 | 84.0° | 62.9° |
| C27 | C25 | O26 | H261 | 61.3° | 179.7° |
| O28 | C27 | C29 | H271 | 120.7° | 120.3° |
| O28 | C27 | C29 | O30 | 85.0° | 63.2° |
| O28 | C27 | C29 | C19 | 158.1° | 176.9° |
| O28 | C27 | C25 | H251 | 68.1° | 56.9° |
| O28 | C27 | C29 | H291 | 34.3° | 57.0° |
| C27 | C29 | O30 | C19 | 122.7° | 119.7° |
| C27 | C29 | O30 | H291 | 119.3° | 120.2° |
| C27 | C29 | C19 | N18 | 104.1° | 177.6° |
| C27 | C29 | C19 | H291 | 124.4° | 119.9° |
| C27 | C29 | C19 | H191 | 130.8° | 62.4° |
| C29 | C27 | C25 | H251 | 51.2° | 63.0° |
| C29 | C27 | O28 | H281 | 60.2° | 179.6° |
| C27 | C29 | O30 | H301 | 180.0° | 60.3° |
| O30 | C29 | C19 | N18 | 139.2° | 62.5° |
| O30 | C29 | C19 | H291 | 118.9° | 120.2° |
| O30 | C29 | C19 | H191 | 14.1° | 57.5° |
| O30 | C29 | C27 | H271 | 35.7° | 57.0° |
| C19 | N18 | C31 | C32 | 178.0° | 176.8° |
| N18 | C19 | C29 | H191 | 125.1° | 120.0° |
| C19 | N18 | C17 | H172 | 43.9° | 56.9° |
| C19 | N18 | C17 | H171 | 74.7° | 63.2° |
| N18 | C19 | C29 | H291 | 20.3° | 57.7° |
| C19 | N18 | C31 | H312 | 57.3° | 63.2° |
| C19 | N18 | C31 | H311 | 61.4° | 56.8° |
| N18 | C31 | C32 | H312 | 120.6° | 120.0° |
| N18 | C31 | C32 | H311 | 120.6° | 120.0° |
| N18 | C31 | C32 | N15 | 34.4° | 58.3° |
| C31 | N18 | C19 | C29 | 12.9° | 175.0° |
| C31 | N18 | C17 | H172 | 178.5° | 179.3° |
| C31 | N18 | C17 | H171 | 59.9° | 60.7° |
| C31 | N18 | C19 | H191 | 110.8° | 54.9° |
| N18 | C31 | H312 | H311 | 118.0° | 120.1° |
| N18 | C31 | C32 | H322 | 86.9° | 61.6° |
| N18 | C31 | C32 | H321 | 155.8° | 178.4° |
| C31 | C32 | N15 | C14 | 151.1° | 176.8° |
| C31 | C32 | N15 | H322 | 121.4° | 119.9° |
| C31 | C32 | N15 | H321 | 121.4° | 120.0° |
| C32 | C31 | H312 | H311 | 118.1° | 120.0° |
| C31 | C32 | H322 | H321 | 115.7° | 120.1° |
| N15 | C14 | N33 | N34 | 179.0° | 180.0° |
| C14 | N15 | C16 | H161 | 37.6° | 56.9° |
| C14 | N15 | C16 | H162 | 80.1° | 63.2° |
| C14 | N15 | C32 | H322 | 29.8° | 63.3° |
| C14 | N15 | C32 | H321 | 87.5° | 56.8° |
| C14 | N33 | N34 | N35 | 0.2° | 0.1° |
| N33 | C14 | N15 | C32 | 2.1° | 123.8° |
| N33 | N34 | N35 | C11 | 0.2° | 0.1° |
| N34 | N35 | C11 | C10 | 180.0° | 179.9° |
| C11 | C10 | C36 | N37 | 180.0° | 179.7° |
| C11 | C10 | C09 | C08 | 0.1° | 0.3° |
| C11 | C10 | C36 | S13 | 0.0° | 0.3° |
| C10 | C36 | N37 | S13 | 180.0° | 179.9° |
| C10 | C36 | N37 | C03 | 0.1° | 0.2° |
| C36 | C10 | C09 | C08 | 179.9° | 179.4° |
| C36 | C10 | C11 | N35 | 180.0° | 179.7° |
| C03 | N37 | C36 | S13 | 179.8° | 179.8° |
| N37 | C03 | N02 | H021 | 45.0° | 179.9° |
| C09 | C08 | C07 | H071 | 163.3° | 68.8° |
| C09 | C08 | C07 | H072 | 77.4° | 170.6° |
| C09 | C08 | H082 | H081 | 118.7° | 119.8° |
| C32 | N15 | C16 | H161 | 98.7° | 179.3° |
| C32 | N15 | C16 | H162 | 143.6° | 60.6° |
| N15 | C32 | C31 | H312 | 155.1° | 61.6° |
| N15 | C32 | C31 | H311 | 86.2° | 178.4° |
| N15 | C32 | H322 | H321 | 115.7° | 120.1° |
| C19 | C29 | C27 | H271 | 81.2° | 62.9° |
| C19 | C29 | O30 | H301 | 57.3° | 180.0° |
| H172 | C17 | C16 | H161 | 44.6° | 61.7° |
| H172 | C17 | C16 | H162 | 73.1° | 58.4° |
| H171 | C17 | C16 | H161 | 163.2° | 58.3° |
| H171 | C17 | C16 | H162 | 45.5° | 178.5° |
| H211 | C21 | C25 | H251 | 157.2° | 177.7° |
| H191 | C19 | C29 | H291 | 104.8° | 177.7° |
| H251 | C25 | C27 | H271 | 172.3° | 177.2° |
| H251 | C25 | O26 | H261 | 60.4° | 60.2° |
| H271 | C27 | O28 | H281 | 60.5° | 60.2° |
| H271 | C27 | C29 | H291 | 155.0° | 177.2° |
| H291 | C29 | O30 | H301 | 60.7° | 59.9° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | N02 | H021 | 58.8° | 119.9° |
| H013 | C01 | N02 | H021 | 61.2° | 120.1° |
| H011 | C01 | N02 | H021 | 178.8° | 0.1° |
| H051 | C05 | C06 | H062 | 168.9° | 50.3° |
| H051 | C05 | C06 | H061 | 49.6° | 170.7° |
| H052 | C05 | C06 | H062 | 49.4° | 69.2° |
| H052 | C05 | C06 | H061 | 70.0° | 51.3° |
| H062 | C06 | C07 | H071 | 63.9° | 69.3° |
| H062 | C06 | C07 | H072 | 176.8° | 51.3° |
| H061 | C06 | C07 | H071 | 55.5° | 170.2° |
| H061 | C06 | C07 | H072 | 63.8° | 69.3° |
| H071 | C07 | C08 | H082 | 42.8° | 51.0° |
| H071 | C07 | C08 | H081 | 76.3° | 170.5° |
| H072 | C07 | C08 | H082 | 162.1° | 69.6° |
| H072 | C07 | C08 | H081 | 43.0° | 49.8° |
| H312 | C31 | C32 | H322 | 33.7° | 178.4° |
| H312 | C31 | C32 | H321 | 83.6° | 58.4° |
| H311 | C31 | C32 | H322 | 152.5° | 58.4° |
| H311 | C31 | C32 | H321 | 35.2° | 61.6° |
