CVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C17 | sing | 1.47Å | 1.47Å | |
| C17 | C14 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | F18 | sing | 1.40Å | 1.40Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | N10 | sing | 1.47Å | 1.47Å | |
| C12 | N10 | sing | 1.47Å | 1.48Å | |
| N10 | C9 | sing | 1.35Å | 1.36Å | |
| C9 | O8 | sing | 1.35Å | 1.36Å | |
| C9 | O11 | doub | 1.21Å | 1.22Å | |
| O8 | C7 | sing | 1.45Å | 1.46Å | |
| C7 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| N19 | H24 | sing | 1.01Å | 1.00Å | |
| N19 | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C17 | C14 | 110.7° | 109.5° |
| N19 | C17 | H22 | 109.2° | 109.5° |
| N19 | C17 | H23 | 109.2° | 109.5° |
| C17 | N19 | H24 | 109.5° | 111.0° |
| C17 | N19 | H25 | 109.5° | 111.0° |
| C17 | C14 | C15 | 119.7° | 109.5° |
| C17 | C14 | C13 | 120.7° | 109.4° |
| C17 | C14 | F18 | 82.6° | 109.4° |
| C14 | C17 | H22 | 109.2° | 109.5° |
| C14 | C17 | H23 | 109.1° | 109.5° |
| C15 | C14 | C13 | 116.0° | 109.6° |
| C15 | C14 | F18 | 84.6° | 109.4° |
| C14 | C15 | C16 | 108.5° | 109.2° |
| C14 | C15 | H18 | 109.7° | 109.5° |
| C14 | C15 | H19 | 109.7° | 109.5° |
| C13 | C14 | F18 | 84.1° | 109.6° |
| C14 | C13 | C12 | 109.1° | 109.3° |
| C14 | C13 | H16 | 109.6° | 109.5° |
| C14 | C13 | H17 | 109.6° | 109.5° |
| C15 | C16 | N10 | 111.0° | 108.5° |
| C16 | C15 | H18 | 109.7° | 109.6° |
| C16 | C15 | H19 | 109.7° | 109.4° |
| C15 | C16 | H20 | 109.1° | 109.5° |
| C15 | C16 | H21 | 109.1° | 109.6° |
| C13 | C12 | N10 | 110.7° | 108.8° |
| C13 | C12 | H14 | 109.2° | 109.6° |
| C13 | C12 | H15 | 109.2° | 109.7° |
| C12 | C13 | H16 | 109.6° | 109.5° |
| C12 | C13 | H17 | 109.6° | 109.5° |
| C16 | N10 | C12 | 117.6° | 118.8° |
| C16 | N10 | C9 | 122.2° | 120.7° |
| N10 | C16 | H20 | 109.1° | 109.9° |
| N10 | C16 | H21 | 109.1° | 109.5° |
| C12 | N10 | C9 | 120.1° | 120.6° |
| N10 | C12 | H14 | 109.2° | 109.6° |
| N10 | C12 | H15 | 109.2° | 109.6° |
| N10 | C9 | O8 | 122.5° | 120.0° |
| N10 | C9 | O11 | 118.9° | 120.0° |
| O8 | C9 | O11 | 118.6° | 120.0° |
| C9 | O8 | C7 | 117.8° | 117.0° |
| O8 | C7 | C4 | 112.5° | 109.5° |
| O8 | C7 | H12 | 108.7° | 109.5° |
| O8 | C7 | H13 | 108.7° | 109.5° |
| C7 | C4 | C3 | 109.1° | 109.5° |
| C7 | C4 | C5 | 111.9° | 109.6° |
| C7 | C4 | H7 | 109.2° | 109.6° |
| C4 | C7 | H12 | 108.7° | 109.4° |
| C4 | C7 | H13 | 108.7° | 109.5° |
| C4 | C3 | C2 | 112.4° | 109.3° |
| C3 | C4 | C5 | 107.9° | 109.2° |
| C4 | C3 | H5 | 108.7° | 109.5° |
| C4 | C3 | H6 | 108.7° | 109.5° |
| C3 | C4 | H7 | 109.3° | 109.6° |
| C3 | C2 | N1 | 109.7° | 109.5° |
| C3 | C2 | H3 | 109.4° | 109.5° |
| C3 | C2 | H4 | 109.4° | 109.4° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| C2 | C3 | H6 | 108.8° | 109.5° |
| C4 | C5 | C6 | 107.5° | 109.3° |
| C5 | C4 | H7 | 109.4° | 109.4° |
| C4 | C5 | H8 | 110.0° | 109.4° |
| C4 | C5 | H9 | 110.0° | 109.5° |
| C5 | C6 | N1 | 110.3° | 109.5° |
| C6 | C5 | H8 | 109.9° | 109.5° |
| C6 | C5 | H9 | 109.9° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.4° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C2 | N1 | C6 | 109.8° | 111.2° |
| C2 | N1 | H1 | 109.4° | 111.0° |
| N1 | C2 | H3 | 109.4° | 109.5° |
| N1 | C2 | H4 | 109.4° | 109.4° |
| C6 | N1 | H1 | 109.4° | 111.0° |
| N1 | C6 | H10 | 109.2° | 109.5° |
| N1 | C6 | H11 | 109.3° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.6° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.6° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.7° |
| H22 | C17 | H23 | 109.5° | 109.5° |
| H24 | N19 | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C17 | C14 | H22 | 120.2° | 120.0° |
| N19 | C17 | C14 | H23 | 120.2° | 120.0° |
| N19 | C17 | C14 | C15 | 68.3° | 175.0° |
| N19 | C17 | C14 | C13 | 133.7° | 65.0° |
| N19 | C17 | C14 | F18 | 147.7° | 55.1° |
| N19 | C17 | H22 | H23 | 119.5° | 120.0° |
| C17 | N19 | H24 | H25 | 120.0° | 124.0° |
| C17 | C14 | C15 | C13 | 159.0° | 119.9° |
| C17 | C14 | C15 | F18 | 78.2° | 119.9° |
| C17 | C14 | C13 | F18 | 77.7° | 119.9° |
| C17 | C14 | C15 | C16 | 170.4° | 178.6° |
| C17 | C14 | C13 | C12 | 115.0° | 178.6° |
| C17 | C14 | C13 | H16 | 5.0° | 61.4° |
| C17 | C14 | C13 | H17 | 125.1° | 58.7° |
| C17 | C14 | C15 | H18 | 69.8° | 61.3° |
| C17 | C14 | C15 | H19 | 50.5° | 58.7° |
| C14 | C17 | H22 | H23 | 119.4° | 120.0° |
| C14 | C17 | N19 | H24 | 180.0° | 180.0° |
| C14 | C17 | N19 | H25 | 60.0° | 56.0° |
| C15 | C14 | C13 | F18 | 81.1° | 120.1° |
| C14 | C15 | C16 | H18 | 119.8° | 120.0° |
| C14 | C15 | C16 | H19 | 119.9° | 119.9° |
| C15 | C14 | C13 | C12 | 43.8° | 61.4° |
| C14 | C15 | C16 | N10 | 57.1° | 54.8° |
| C15 | C14 | C13 | H16 | 163.8° | 58.6° |
| C15 | C14 | C13 | H17 | 76.1° | 178.7° |
| C14 | C15 | H18 | H19 | 120.5° | 120.1° |
| C14 | C15 | C16 | H20 | 63.1° | 65.2° |
| C14 | C15 | C16 | H21 | 177.3° | 174.4° |
| C15 | C14 | C17 | H22 | 51.9° | 55.0° |
| C15 | C14 | C17 | H23 | 171.5° | 65.0° |
| C13 | C14 | C15 | C16 | 11.4° | 61.5° |
| C14 | C13 | C12 | H16 | 119.9° | 119.9° |
| C14 | C13 | C12 | H17 | 120.0° | 119.9° |
| C14 | C13 | C12 | N10 | 55.9° | 54.6° |
| C14 | C13 | C12 | H14 | 64.3° | 174.4° |
| C14 | C13 | C12 | H15 | 176.1° | 65.2° |
| C14 | C13 | H16 | H17 | 120.2° | 120.1° |
| C13 | C14 | C15 | H18 | 131.2° | 58.6° |
| C13 | C14 | C15 | H19 | 108.5° | 178.7° |
| C13 | C14 | C17 | H22 | 106.2° | 175.0° |
| C13 | C14 | C17 | H23 | 13.5° | 55.0° |
| F18 | C14 | C15 | C16 | 92.1° | 58.7° |
| F18 | C14 | C13 | C12 | 37.2° | 58.7° |
| F18 | C14 | C13 | H16 | 82.7° | 178.6° |
| F18 | C14 | C13 | H17 | 157.2° | 61.3° |
| F18 | C14 | C15 | H18 | 148.0° | 178.7° |
| F18 | C14 | C15 | H19 | 27.7° | 61.2° |
| F18 | C14 | C17 | H22 | 27.5° | 65.0° |
| F18 | C14 | C17 | H23 | 92.1° | 175.1° |
| C15 | C16 | N10 | H20 | 120.2° | 119.8° |
| C15 | C16 | N10 | H21 | 120.2° | 119.6° |
| C15 | C16 | N10 | C12 | 46.9° | 53.9° |
| C15 | C16 | N10 | C9 | 133.6° | 126.4° |
| C16 | C15 | H18 | H19 | 120.4° | 120.1° |
| C15 | C16 | H20 | H21 | 119.3° | 120.3° |
| C13 | C12 | N10 | C16 | 11.3° | 53.9° |
| C13 | C12 | N10 | H14 | 120.2° | 119.8° |
| C13 | C12 | N10 | H15 | 120.2° | 119.9° |
| C13 | C12 | N10 | C9 | 168.2° | 126.4° |
| C13 | C12 | H14 | H15 | 119.4° | 120.5° |
| C12 | C13 | H16 | H17 | 120.2° | 120.1° |
| C16 | N10 | C12 | C9 | 179.5° | 179.7° |
| C16 | N10 | C9 | O8 | 0.4° | 0.3° |
| C16 | N10 | C9 | O11 | 179.9° | 179.7° |
| C16 | N10 | C12 | H14 | 108.9° | 173.7° |
| C16 | N10 | C12 | H15 | 131.5° | 66.0° |
| N10 | C16 | C15 | H18 | 176.9° | 65.1° |
| N10 | C16 | C15 | H19 | 62.7° | 174.8° |
| N10 | C16 | H20 | H21 | 119.3° | 120.5° |
| C12 | N10 | C9 | O8 | 179.8° | 180.0° |
| C12 | N10 | C9 | O11 | 0.5° | 0.0° |
| N10 | C12 | H14 | H15 | 119.4° | 120.3° |
| N10 | C12 | C13 | H16 | 175.8° | 65.3° |
| N10 | C12 | C13 | H17 | 64.1° | 174.6° |
| C12 | N10 | C16 | H20 | 73.3° | 65.9° |
| C12 | N10 | C16 | H21 | 167.1° | 173.5° |
| N10 | C9 | O8 | O11 | 179.7° | 180.0° |
| N10 | C9 | O8 | C7 | 119.8° | 180.0° |
| C9 | N10 | C12 | H14 | 71.6° | 6.6° |
| C9 | N10 | C12 | H15 | 48.0° | 113.7° |
| C9 | N10 | C16 | H20 | 106.2° | 113.8° |
| C9 | N10 | C16 | H21 | 13.4° | 6.8° |
| C9 | O8 | C7 | C4 | 132.6° | 180.0° |
| C9 | O8 | C7 | H12 | 12.2° | 60.0° |
| C9 | O8 | C7 | H13 | 106.9° | 60.0° |
| O11 | C9 | O8 | C7 | 60.5° | 0.1° |
| O8 | C7 | C4 | H12 | 120.5° | 120.0° |
| O8 | C7 | C4 | H13 | 120.5° | 120.0° |
| O8 | C7 | C4 | C3 | 135.5° | 175.0° |
| O8 | C7 | C4 | C5 | 16.2° | 65.3° |
| O8 | C7 | C4 | H7 | 105.0° | 54.8° |
| O8 | C7 | H12 | H13 | 118.6° | 120.0° |
| C7 | C4 | C3 | C5 | 121.7° | 120.0° |
| C7 | C4 | C3 | H7 | 119.4° | 120.2° |
| C7 | C4 | C3 | C2 | 177.6° | 177.6° |
| C7 | C4 | C5 | H7 | 121.2° | 120.1° |
| C7 | C4 | C5 | C6 | 178.3° | 177.6° |
| C7 | C4 | C3 | H5 | 62.0° | 57.7° |
| C7 | C4 | C3 | H6 | 57.2° | 62.5° |
| C7 | C4 | C5 | H8 | 58.6° | 57.6° |
| C7 | C4 | C5 | H9 | 62.0° | 62.4° |
| C4 | C7 | H12 | H13 | 118.6° | 120.0° |
| C4 | C3 | C2 | H5 | 120.4° | 119.9° |
| C4 | C3 | C2 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | H7 | 118.8° | 119.9° |
| C3 | C4 | C5 | C6 | 58.3° | 57.6° |
| C4 | C3 | C2 | N1 | 55.8° | 59.1° |
| C4 | C3 | C2 | H3 | 64.2° | 179.2° |
| C4 | C3 | C2 | H4 | 175.8° | 60.8° |
| C4 | C3 | H5 | H6 | 118.7° | 120.2° |
| C3 | C4 | C5 | H8 | 61.4° | 62.3° |
| C3 | C4 | C5 | H9 | 178.0° | 177.6° |
| C3 | C4 | C7 | H12 | 104.0° | 65.0° |
| C3 | C4 | C7 | H13 | 15.1° | 55.0° |
| C2 | C3 | C4 | C5 | 55.9° | 57.6° |
| C3 | C2 | N1 | H3 | 120.0° | 120.0° |
| C3 | C2 | N1 | H4 | 120.0° | 120.0° |
| C3 | C2 | N1 | C6 | 58.6° | 61.7° |
| C3 | C2 | N1 | H1 | 178.6° | 174.1° |
| C3 | C2 | H3 | H4 | 119.9° | 119.9° |
| C2 | C3 | H5 | H6 | 118.7° | 120.1° |
| C2 | C3 | C4 | H7 | 62.9° | 62.2° |
| C4 | C5 | C6 | H8 | 119.7° | 119.9° |
| C4 | C5 | C6 | H9 | 119.7° | 120.0° |
| C4 | C5 | C6 | N1 | 64.2° | 59.1° |
| C5 | C4 | C3 | H5 | 176.3° | 62.3° |
| C5 | C4 | C3 | H6 | 64.6° | 177.5° |
| C4 | C5 | H8 | H9 | 120.9° | 120.1° |
| C4 | C5 | C6 | H10 | 175.7° | 60.9° |
| C4 | C5 | C6 | H11 | 55.9° | 179.2° |
| C5 | C4 | C7 | H12 | 136.7° | 54.7° |
| C5 | C4 | C7 | H13 | 104.2° | 174.7° |
| C5 | C6 | N1 | C2 | 64.5° | 61.7° |
| C5 | C6 | N1 | H10 | 120.1° | 120.0° |
| C5 | C6 | N1 | H11 | 120.1° | 120.0° |
| C5 | C6 | N1 | H1 | 175.4° | 174.2° |
| C6 | C5 | C4 | H7 | 60.5° | 62.3° |
| C6 | C5 | H8 | H9 | 120.9° | 120.1° |
| C5 | C6 | H10 | H11 | 119.6° | 120.0° |
| C2 | N1 | C6 | H1 | 120.0° | 124.1° |
| N1 | C2 | H3 | H4 | 119.9° | 120.0° |
| N1 | C2 | C3 | H5 | 176.2° | 60.8° |
| N1 | C2 | C3 | H6 | 64.6° | 179.1° |
| C2 | N1 | C6 | H10 | 175.4° | 58.3° |
| C2 | N1 | C6 | H11 | 55.6° | 178.3° |
| C6 | N1 | C2 | H3 | 61.5° | 178.2° |
| C6 | N1 | C2 | H4 | 178.6° | 58.2° |
| N1 | C6 | C5 | H8 | 55.5° | 60.8° |
| N1 | C6 | C5 | H9 | 176.1° | 179.1° |
| N1 | C6 | H10 | H11 | 119.6° | 120.0° |
| H1 | N1 | C2 | H3 | 58.6° | 54.1° |
| H1 | N1 | C2 | H4 | 61.4° | 65.9° |
| H1 | N1 | C6 | H10 | 55.3° | 65.9° |
| H1 | N1 | C6 | H11 | 64.4° | 54.1° |
| H3 | C2 | C3 | H5 | 56.2° | 59.3° |
| H3 | C2 | C3 | H6 | 175.3° | 60.8° |
| H4 | C2 | C3 | H5 | 63.8° | 179.2° |
| H4 | C2 | C3 | H6 | 55.4° | 59.1° |
| H5 | C3 | C4 | H7 | 57.5° | 177.9° |
| H6 | C3 | C4 | H7 | 176.6° | 57.7° |
| H7 | C4 | C5 | H8 | 179.8° | 177.8° |
| H7 | C4 | C5 | H9 | 59.2° | 57.7° |
| H7 | C4 | C7 | H12 | 15.5° | 174.8° |
| H7 | C4 | C7 | H13 | 134.6° | 65.2° |
| H8 | C5 | C6 | H10 | 64.6° | 179.2° |
| H8 | C5 | C6 | H11 | 175.6° | 59.3° |
| H9 | C5 | C6 | H10 | 56.0° | 59.1° |
| H9 | C5 | C6 | H11 | 63.8° | 60.8° |
| H14 | C12 | C13 | H16 | 55.6° | 54.5° |
| H14 | C12 | C13 | H17 | 175.7° | 65.6° |
| H15 | C12 | C13 | H16 | 64.0° | 174.9° |
| H15 | C12 | C13 | H17 | 56.1° | 54.7° |
| H18 | C15 | C16 | H20 | 56.7° | 174.8° |
| H18 | C15 | C16 | H21 | 62.8° | 54.4° |
| H19 | C15 | C16 | H20 | 177.0° | 54.7° |
| H19 | C15 | C16 | H21 | 57.5° | 65.7° |
| H22 | C17 | N19 | H24 | 59.8° | 60.0° |
| H22 | C17 | N19 | H25 | 60.2° | 176.0° |
| H23 | C17 | N19 | H24 | 59.8° | 60.0° |
| H23 | C17 | N19 | H25 | 179.8° | 64.0° |
