VE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.52Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.52Å | Aromatic |
| F18 | C13 | sing | 1.35Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.52Å | Aromatic |
| CL22 | C05 | sing | 1.74Å | 1.73Å | |
| C16 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.47Å | Aromatic |
| C05 | N06 | sing | 1.32Å | 1.44Å | Aromatic |
| C20 | N07 | sing | 1.46Å | 1.46Å | |
| C04 | C03 | sing | 1.40Å | 1.48Å | Aromatic |
| N11 | N07 | sing | 1.40Å | 1.38Å | Aromatic |
| N11 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| N06 | C01 | doub | 1.33Å | 1.45Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C03 | C10 | sing | 1.48Å | 1.52Å | |
| C03 | N02 | doub | 1.33Å | 1.44Å | Aromatic |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| C10 | C09 | sing | 1.41Å | 1.37Å | Aromatic |
| C01 | N02 | sing | 1.32Å | 1.47Å | Aromatic |
| C01 | N21 | sing | 1.38Å | 1.44Å | |
| C08 | C09 | doub | 1.35Å | 1.36Å | Aromatic |
| C09 | C19 | sing | 1.51Å | 1.52Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N21 | H212 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.9° | 120.0° |
| C15 | C14 | H141 | 120.3° | 120.0° |
| C14 | C15 | H151 | 119.6° | 120.0° |
| C14 | C13 | F18 | 120.5° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C13 | C14 | H141 | 120.3° | 120.0° |
| C15 | C16 | C17 | 119.3° | 120.1° |
| C16 | C15 | H151 | 119.5° | 120.0° |
| C15 | C16 | H161 | 120.4° | 119.9° |
| F18 | C13 | C12 | 119.5° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.9° |
| C13 | C12 | H121 | 120.0° | 120.0° |
| CL22 | C05 | C04 | 117.5° | 120.3° |
| CL22 | C05 | N06 | 118.4° | 120.4° |
| C16 | C17 | C12 | 120.3° | 120.0° |
| C16 | C17 | C19 | 119.1° | 120.0° |
| C17 | C16 | H161 | 120.4° | 120.0° |
| C04 | C05 | N06 | 124.1° | 119.3° |
| C05 | C04 | C03 | 116.8° | 118.4° |
| C05 | C04 | H041 | 121.6° | 120.8° |
| C05 | N06 | C01 | 118.2° | 121.0° |
| C20 | N07 | N11 | 125.4° | 125.9° |
| C20 | N07 | C08 | 126.8° | 126.0° |
| N07 | C20 | H201 | 109.5° | 109.5° |
| N07 | C20 | H202 | 109.5° | 109.5° |
| N07 | C20 | H203 | 109.5° | 109.4° |
| C04 | C03 | C10 | 118.2° | 120.5° |
| C04 | C03 | N02 | 119.8° | 119.0° |
| C03 | C04 | H041 | 121.6° | 120.8° |
| N07 | N11 | C10 | 108.0° | 108.1° |
| N11 | N07 | C08 | 107.7° | 108.1° |
| N11 | C10 | C03 | 123.3° | 126.0° |
| N11 | C10 | C09 | 108.7° | 107.9° |
| N06 | C01 | N02 | 119.5° | 121.7° |
| N06 | C01 | N21 | 119.0° | 119.1° |
| N07 | C08 | C09 | 108.1° | 108.0° |
| N07 | C08 | H081 | 125.9° | 126.0° |
| C12 | C17 | C19 | 120.6° | 119.9° |
| C17 | C12 | H121 | 120.0° | 120.1° |
| C10 | C03 | N02 | 122.0° | 120.5° |
| C03 | C10 | C09 | 128.0° | 126.1° |
| C03 | N02 | C01 | 121.7° | 120.7° |
| C17 | C19 | C09 | 108.3° | 109.5° |
| C17 | C19 | H191 | 109.7° | 109.5° |
| C17 | C19 | H192 | 109.8° | 109.5° |
| C10 | C09 | C08 | 107.5° | 107.9° |
| C10 | C09 | C19 | 125.3° | 126.0° |
| N02 | C01 | N21 | 121.4° | 119.2° |
| C01 | N21 | H211 | 109.5° | 120.0° |
| C01 | N21 | H212 | 109.5° | 120.0° |
| C08 | C09 | C19 | 127.2° | 126.1° |
| C09 | C08 | H081 | 125.9° | 126.0° |
| C09 | C19 | H191 | 109.8° | 109.5° |
| C09 | C19 | H192 | 109.8° | 109.4° |
| H191 | C19 | H192 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | N21 | H212 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | F18 | 179.2° | 179.9° |
| C15 | C14 | C13 | C12 | 1.1° | 0.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C14 | C15 | C16 | H161 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | F18 | C12 | 179.6° | 179.9° |
| C14 | C13 | C12 | C17 | 1.7° | 0.0° |
| C14 | C13 | C12 | H121 | 178.3° | 179.7° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.3° | 0.0° |
| C15 | C16 | C17 | C19 | 179.0° | 179.7° |
| C16 | C15 | C14 | H141 | 179.9° | 179.9° |
| F18 | C13 | C12 | C17 | 178.7° | 179.9° |
| F18 | C13 | C12 | H121 | 1.3° | 0.4° |
| F18 | C13 | C14 | H141 | 0.8° | 0.0° |
| C13 | C12 | C17 | C16 | 1.0° | 0.0° |
| C13 | C12 | C17 | H121 | 180.0° | 179.7° |
| C13 | C12 | C17 | C19 | 179.8° | 179.7° |
| C12 | C13 | C14 | H141 | 178.8° | 179.9° |
| CL22 | C05 | C04 | N06 | 179.7° | 179.3° |
| CL22 | C05 | C04 | C03 | 180.0° | 180.0° |
| CL22 | C05 | N06 | C01 | 179.6° | 179.7° |
| CL22 | C05 | C04 | H041 | 0.0° | 0.5° |
| C16 | C17 | C12 | C19 | 179.2° | 179.7° |
| C16 | C17 | C19 | C09 | 84.4° | 85.6° |
| C16 | C17 | C12 | H121 | 179.0° | 179.7° |
| C17 | C16 | C15 | H151 | 179.2° | 180.0° |
| C16 | C17 | C19 | H191 | 35.4° | 154.3° |
| C16 | C17 | C19 | H192 | 155.7° | 34.3° |
| C05 | C04 | C03 | H041 | 180.0° | 179.5° |
| C04 | C05 | N06 | C01 | 0.1° | 0.5° |
| C05 | C04 | C03 | C10 | 179.0° | 179.5° |
| C05 | C04 | C03 | N02 | 0.8° | 0.5° |
| N06 | C05 | C04 | C03 | 0.3° | 0.8° |
| C05 | N06 | C01 | N02 | 0.0° | 0.1° |
| C05 | N06 | C01 | N21 | 179.5° | 179.7° |
| N06 | C05 | C04 | H041 | 179.7° | 179.8° |
| C20 | N07 | N11 | C08 | 178.8° | 179.6° |
| C20 | N07 | N11 | C10 | 179.3° | 180.0° |
| C20 | N07 | C08 | C09 | 178.9° | 180.0° |
| C20 | N07 | C08 | H081 | 1.1° | 0.3° |
| N07 | C20 | H201 | H202 | 120.0° | 120.1° |
| N07 | C20 | H201 | H203 | 120.0° | 120.0° |
| N07 | C20 | H202 | H203 | 120.0° | 120.0° |
| C04 | C03 | C10 | N11 | 5.4° | 26.4° |
| C04 | C03 | C10 | N02 | 178.2° | 179.9° |
| C04 | C03 | C10 | C09 | 177.0° | 153.7° |
| C04 | C03 | N02 | C01 | 0.8° | 0.0° |
| N07 | N11 | C10 | C03 | 178.6° | 179.8° |
| N07 | N11 | C10 | C09 | 0.6° | 0.2° |
| N11 | N07 | C08 | C09 | 0.1° | 0.4° |
| N11 | N07 | C08 | H081 | 179.9° | 179.9° |
| N11 | N07 | C20 | H201 | 0.0° | 89.6° |
| N11 | N07 | C20 | H202 | 120.0° | 30.5° |
| N11 | N07 | C20 | H203 | 120.0° | 150.5° |
| C10 | N11 | N07 | C08 | 0.4° | 0.4° |
| N11 | C10 | C03 | C09 | 177.7° | 179.9° |
| N11 | C10 | C03 | N02 | 172.8° | 153.7° |
| N11 | C10 | C09 | C08 | 0.5° | 0.0° |
| N11 | C10 | C09 | C19 | 179.9° | 180.0° |
| N06 | C01 | N02 | C03 | 0.4° | 0.3° |
| N06 | C01 | N02 | N21 | 179.5° | 179.7° |
| N06 | C01 | N21 | H211 | 0.0° | 179.7° |
| N06 | C01 | N21 | H212 | 120.0° | 0.3° |
| N07 | C08 | C09 | C10 | 0.2° | 0.2° |
| N07 | C08 | C09 | H081 | 180.0° | 179.8° |
| N07 | C08 | C09 | C19 | 179.6° | 179.8° |
| C08 | N07 | C20 | H201 | 178.6° | 90.0° |
| C08 | N07 | C20 | H202 | 61.4° | 150.0° |
| C08 | N07 | C20 | H203 | 58.6° | 30.0° |
| C12 | C17 | C19 | C09 | 94.8° | 94.7° |
| C12 | C17 | C16 | H161 | 179.7° | 180.0° |
| C12 | C17 | C19 | H191 | 145.3° | 25.4° |
| C12 | C17 | C19 | H192 | 25.0° | 145.4° |
| C10 | C03 | N02 | C01 | 179.0° | 179.9° |
| C03 | C10 | C09 | C08 | 178.4° | 180.0° |
| C03 | C10 | C09 | C19 | 2.1° | 0.0° |
| C10 | C03 | C04 | H041 | 1.0° | 0.1° |
| N02 | C03 | C10 | C09 | 4.9° | 26.2° |
| C03 | N02 | C01 | N21 | 179.9° | 180.0° |
| N02 | C03 | C04 | H041 | 179.3° | 180.0° |
| C17 | C19 | C09 | C10 | 97.5° | 85.9° |
| C17 | C19 | C09 | C08 | 83.1° | 94.1° |
| C17 | C19 | C09 | H191 | 119.8° | 120.0° |
| C17 | C19 | C09 | H192 | 119.8° | 119.9° |
| C19 | C17 | C12 | H121 | 0.2° | 0.0° |
| C19 | C17 | C16 | H161 | 1.0° | 0.3° |
| C17 | C19 | H191 | H192 | 120.5° | 120.0° |
| C10 | C09 | C08 | C19 | 179.4° | 180.0° |
| C10 | C09 | C08 | H081 | 179.8° | 180.0° |
| C10 | C09 | C19 | H191 | 22.3° | 34.2° |
| C10 | C09 | C19 | H192 | 142.6° | 154.2° |
| N02 | C01 | N21 | H211 | 179.5° | 0.0° |
| N02 | C01 | N21 | H212 | 59.5° | 180.0° |
| C01 | N21 | H211 | H212 | 120.0° | 179.9° |
| C08 | C09 | C19 | H191 | 157.0° | 145.8° |
| C08 | C09 | C19 | H192 | 36.7° | 25.8° |
| C19 | C09 | C08 | H081 | 0.4° | 0.0° |
| C09 | C19 | H191 | H192 | 120.5° | 119.9° |
| H141 | C14 | C15 | H151 | 0.1° | 0.1° |
| H151 | C15 | C16 | H161 | 0.8° | 0.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
