V1Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| O10 | C9 | doub | 1.22Å | 1.22Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | S13 | sing | 1.70Å | 1.71Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C26 | N25 | sing | 1.40Å | 1.41Å | |
| C26 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| N23 | C22 | doub | 1.33Å | 1.32Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.31Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.36Å | Aromatic |
| S13 | C14 | sing | 1.76Å | 1.75Å | Aromatic |
| N25 | C24 | sing | 1.38Å | 1.38Å | |
| C24 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C11 | sing | 1.47Å | 1.48Å | |
| C9 | N8 | sing | 1.35Å | 1.36Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | CL33 | sing | 1.74Å | 1.74Å | |
| C21 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C15 | sing | 1.46Å | 1.46Å | Aromatic |
| C31 | F32 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.40Å | 1.40Å | |
| C7 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.35Å | Aromatic |
| N20 | C19 | sing | 1.39Å | 1.38Å | |
| C19 | N18 | doub | 1.33Å | 1.33Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| N20 | H13 | sing | 0.97Å | 1.00Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å | |
| N25 | H15 | sing | 0.97Å | 1.00Å | |
| N8 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 119.9° | 120.1° |
| C28 | C27 | C26 | 120.8° | 120.0° |
| C28 | C27 | H10 | 119.6° | 120.0° |
| C27 | C28 | H11 | 120.0° | 119.9° |
| C28 | C29 | C30 | 119.5° | 120.2° |
| C29 | C28 | H11 | 120.0° | 120.0° |
| C28 | C29 | H12 | 120.3° | 119.9° |
| C27 | C26 | N25 | 119.0° | 120.1° |
| C27 | C26 | C31 | 119.4° | 119.8° |
| C26 | C27 | H10 | 119.6° | 120.0° |
| O10 | C9 | C11 | 121.9° | 119.9° |
| O10 | C9 | N8 | 119.3° | 120.0° |
| C29 | C30 | C31 | 121.3° | 120.0° |
| C29 | C30 | CL33 | 120.1° | 120.0° |
| C30 | C29 | H12 | 120.3° | 119.9° |
| S13 | C12 | C11 | 112.4° | 112.0° |
| C12 | S13 | C14 | 92.5° | 93.0° |
| S13 | C12 | H2 | 123.8° | 124.0° |
| C12 | C11 | C9 | 125.1° | 123.1° |
| C12 | C11 | C15 | 113.0° | 113.7° |
| C11 | C12 | H2 | 123.8° | 124.0° |
| N25 | C26 | C31 | 121.5° | 120.1° |
| C26 | N25 | C24 | 122.6° | 120.0° |
| C26 | N25 | H15 | 118.7° | 120.0° |
| C26 | C31 | C30 | 119.1° | 119.9° |
| C26 | C31 | F32 | 121.2° | 120.1° |
| C22 | N23 | C24 | 123.5° | 122.6° |
| N23 | C22 | C21 | 121.4° | 122.0° |
| N23 | C22 | H9 | 119.3° | 119.0° |
| N23 | C24 | N25 | 119.3° | 120.1° |
| N23 | C24 | C5 | 119.7° | 119.7° |
| C22 | C21 | C6 | 119.4° | 118.9° |
| C22 | C21 | H8 | 120.3° | 120.6° |
| C21 | C22 | H9 | 119.3° | 119.0° |
| S13 | C14 | C15 | 110.6° | 110.1° |
| S13 | C14 | C19 | 130.3° | 131.4° |
| N25 | C24 | C5 | 121.0° | 120.2° |
| C24 | N25 | H15 | 118.7° | 120.0° |
| C24 | C5 | C6 | 118.1° | 118.5° |
| C24 | C5 | C4 | 123.2° | 122.0° |
| C11 | C9 | N8 | 118.7° | 120.1° |
| C9 | C11 | C15 | 121.7° | 123.2° |
| C9 | N8 | C7 | 123.4° | 120.0° |
| C9 | N8 | H16 | 118.3° | 119.9° |
| C31 | C30 | CL33 | 118.6° | 120.0° |
| C30 | C31 | F32 | 119.7° | 120.0° |
| C21 | C6 | C5 | 117.9° | 118.3° |
| C21 | C6 | C7 | 121.4° | 122.2° |
| C6 | C21 | H8 | 120.3° | 120.5° |
| C11 | C15 | C14 | 111.5° | 111.2° |
| C11 | C15 | N16 | 130.5° | 130.5° |
| C6 | C5 | C4 | 118.7° | 119.5° |
| C5 | C6 | C7 | 120.7° | 119.5° |
| C5 | C4 | C3 | 119.3° | 119.9° |
| C5 | C4 | H1 | 120.4° | 120.0° |
| C6 | C7 | N8 | 115.4° | 120.4° |
| C6 | C7 | C2 | 119.2° | 119.2° |
| C4 | C3 | C2 | 122.7° | 121.1° |
| C3 | C4 | H1 | 120.4° | 120.1° |
| C4 | C3 | H3 | 118.7° | 119.4° |
| N8 | C7 | C2 | 125.3° | 120.4° |
| C7 | N8 | H16 | 118.3° | 120.0° |
| C7 | C2 | C3 | 119.4° | 120.7° |
| C7 | C2 | C1 | 120.4° | 119.6° |
| C3 | C2 | C1 | 120.2° | 119.6° |
| C2 | C3 | H3 | 118.7° | 119.4° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.5° | 109.4° |
| C15 | C14 | C19 | 119.0° | 118.5° |
| C14 | C15 | N16 | 118.0° | 118.3° |
| C14 | C19 | N20 | 119.5° | 120.6° |
| C14 | C19 | N18 | 119.2° | 118.9° |
| C15 | N16 | C17 | 121.0° | 121.1° |
| N20 | C19 | N18 | 121.3° | 120.5° |
| C19 | N20 | H13 | 109.5° | 120.0° |
| C19 | N20 | H14 | 109.5° | 120.0° |
| C19 | N18 | C17 | 120.2° | 120.9° |
| N16 | C17 | N18 | 122.6° | 122.3° |
| N16 | C17 | H7 | 118.7° | 118.8° |
| N18 | C17 | H7 | 118.7° | 118.9° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H13 | N20 | H14 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H11 | 180.0° | 180.0° |
| C28 | C27 | C26 | H10 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.3° | 0.1° |
| C28 | C27 | C26 | N25 | 179.6° | 179.9° |
| C28 | C27 | C26 | C31 | 0.7° | 0.3° |
| C27 | C28 | C29 | H12 | 179.7° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.0° |
| C28 | C29 | C30 | H12 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.4° | 0.4° |
| C28 | C29 | C30 | CL33 | 179.6° | 180.0° |
| C29 | C28 | C27 | H10 | 179.6° | 180.0° |
| C27 | C26 | N25 | C31 | 178.9° | 179.7° |
| C27 | C26 | N25 | C24 | 125.8° | 24.8° |
| C27 | C26 | C31 | C30 | 0.8° | 0.6° |
| C27 | C26 | C31 | F32 | 179.7° | 179.7° |
| C26 | C27 | C28 | H11 | 179.6° | 180.0° |
| C27 | C26 | N25 | H15 | 54.2° | 155.3° |
| O10 | C9 | C11 | C12 | 5.6° | 179.5° |
| O10 | C9 | C11 | N8 | 175.8° | 180.0° |
| O10 | C9 | C11 | C15 | 170.5° | 0.0° |
| O10 | C9 | N8 | C7 | 1.2° | 5.6° |
| O10 | C9 | N8 | H16 | 178.8° | 174.4° |
| C29 | C30 | C31 | C26 | 0.7° | 0.6° |
| C29 | C30 | C31 | CL33 | 179.9° | 179.7° |
| C29 | C30 | C31 | F32 | 179.8° | 179.7° |
| C30 | C29 | C28 | H11 | 179.7° | 180.0° |
| S13 | C12 | C11 | H2 | 180.0° | 179.8° |
| S13 | C12 | C11 | C9 | 177.7° | 180.0° |
| S13 | C12 | C11 | C15 | 1.3° | 0.4° |
| C12 | S13 | C14 | C15 | 0.1° | 0.0° |
| C12 | S13 | C14 | C19 | 179.6° | 179.7° |
| C11 | C12 | S13 | C14 | 0.9° | 0.3° |
| C12 | C11 | C9 | C15 | 176.1° | 179.6° |
| C12 | C11 | C9 | N8 | 178.7° | 0.5° |
| C12 | C11 | C15 | C14 | 1.3° | 0.4° |
| C12 | C11 | C15 | N16 | 179.5° | 179.5° |
| C26 | N25 | C24 | N23 | 8.1° | 6.6° |
| C26 | N25 | C24 | H15 | 180.0° | 180.0° |
| C26 | N25 | C24 | C5 | 171.0° | 173.3° |
| N25 | C26 | C31 | C30 | 179.7° | 179.6° |
| N25 | C26 | C31 | F32 | 0.8° | 0.0° |
| N25 | C26 | C27 | H10 | 0.4° | 0.0° |
| C31 | C26 | N25 | C24 | 55.3° | 155.5° |
| C26 | C31 | C30 | F32 | 179.5° | 179.7° |
| C26 | C31 | C30 | CL33 | 179.3° | 179.7° |
| C31 | C26 | C27 | H10 | 179.3° | 179.8° |
| C31 | C26 | N25 | H15 | 124.7° | 24.5° |
| N23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C22 | N23 | C24 | N25 | 178.8° | 179.9° |
| C22 | N23 | C24 | C5 | 0.3° | 0.0° |
| N23 | C22 | C21 | C6 | 0.8° | 0.0° |
| N23 | C22 | C21 | H8 | 179.2° | 180.0° |
| C24 | N23 | C22 | C21 | 0.7° | 0.0° |
| N23 | C24 | N25 | C5 | 179.1° | 179.9° |
| N23 | C24 | C5 | C6 | 0.0° | 0.1° |
| N23 | C24 | C5 | C4 | 179.9° | 180.0° |
| C24 | N23 | C22 | H9 | 179.3° | 180.0° |
| N23 | C24 | N25 | H15 | 171.9° | 173.4° |
| C22 | C21 | C6 | H8 | 180.0° | 180.0° |
| C22 | C21 | C6 | C5 | 0.5° | 0.0° |
| C22 | C21 | C6 | C7 | 179.9° | 180.0° |
| S13 | C14 | C15 | C11 | 0.6° | 0.2° |
| S13 | C14 | C15 | C19 | 179.8° | 179.8° |
| S13 | C14 | C15 | N16 | 180.0° | 179.7° |
| S13 | C14 | C19 | N20 | 0.2° | 0.3° |
| S13 | C14 | C19 | N18 | 178.6° | 179.7° |
| C14 | S13 | C12 | H2 | 179.2° | 180.0° |
| N25 | C24 | C5 | C6 | 179.0° | 180.0° |
| N25 | C24 | C5 | C4 | 0.8° | 0.1° |
| C24 | C5 | C6 | C21 | 0.2° | 0.1° |
| C24 | C5 | C6 | C4 | 179.9° | 179.9° |
| C24 | C5 | C6 | C7 | 179.6° | 180.0° |
| C24 | C5 | C4 | C3 | 179.6° | 180.0° |
| C24 | C5 | C4 | H1 | 0.4° | 0.2° |
| C5 | C24 | N25 | H15 | 9.0° | 6.7° |
| C11 | C9 | N8 | C7 | 174.6° | 174.4° |
| C9 | C11 | C15 | C14 | 177.8° | 180.0° |
| C9 | C11 | C15 | N16 | 2.9° | 0.1° |
| C9 | C11 | C12 | H2 | 2.3° | 0.2° |
| C11 | C9 | N8 | H16 | 5.3° | 5.6° |
| N8 | C9 | C11 | C15 | 5.2° | 180.0° |
| C9 | N8 | C7 | C6 | 77.2° | 123.0° |
| C9 | N8 | C7 | H16 | 180.0° | 180.0° |
| C9 | N8 | C7 | C2 | 106.2° | 57.1° |
| C31 | C30 | C29 | H12 | 179.6° | 179.7° |
| CL33 | C30 | C31 | F32 | 0.2° | 0.0° |
| CL33 | C30 | C29 | H12 | 0.4° | 0.1° |
| C21 | C6 | C5 | C7 | 179.4° | 180.0° |
| C21 | C6 | C5 | C4 | 180.0° | 180.0° |
| C21 | C6 | C7 | N8 | 2.6° | 0.0° |
| C21 | C6 | C7 | C2 | 179.5° | 180.0° |
| C6 | C21 | C22 | H9 | 179.2° | 180.0° |
| C11 | C15 | C14 | N16 | 179.4° | 179.9° |
| C11 | C15 | C14 | C19 | 179.6° | 180.0° |
| C11 | C15 | N16 | C17 | 179.2° | 179.9° |
| C15 | C11 | C12 | H2 | 178.7° | 179.8° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C5 | C6 | C7 | N8 | 178.0° | 180.0° |
| C5 | C6 | C7 | C2 | 1.1° | 0.0° |
| C6 | C5 | C4 | H1 | 179.7° | 179.7° |
| C5 | C6 | C21 | H8 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H3 | 179.4° | 179.7° |
| C6 | C7 | N8 | C2 | 176.7° | 179.9° |
| C6 | C7 | C2 | C3 | 0.9° | 0.1° |
| C6 | C7 | C2 | C1 | 178.9° | 180.0° |
| C7 | C6 | C21 | H8 | 0.1° | 0.0° |
| C6 | C7 | N8 | H16 | 102.8° | 57.0° |
| C4 | C3 | C2 | C7 | 0.0° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 179.7° | 180.0° |
| N8 | C7 | C2 | C3 | 177.4° | 180.0° |
| N8 | C7 | C2 | C1 | 2.4° | 0.0° |
| C7 | C2 | C3 | C1 | 179.8° | 179.9° |
| C7 | C2 | C3 | H3 | 180.0° | 179.7° |
| C7 | C2 | C1 | H4 | 90.1° | 97.4° |
| C7 | C2 | C1 | H5 | 149.9° | 142.6° |
| C7 | C2 | C1 | H6 | 29.9° | 22.6° |
| C2 | C7 | N8 | H16 | 73.9° | 122.9° |
| C2 | C3 | C4 | H1 | 179.4° | 179.7° |
| C3 | C2 | C1 | H4 | 90.1° | 82.6° |
| C3 | C2 | C1 | H5 | 29.9° | 37.5° |
| C3 | C2 | C1 | H6 | 149.9° | 157.5° |
| C1 | C2 | C3 | H3 | 0.3° | 0.3° |
| C2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C2 | C1 | H4 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C15 | C14 | C19 | N20 | 179.9° | 180.0° |
| C15 | C14 | C19 | N18 | 1.1° | 0.0° |
| C14 | C15 | N16 | C17 | 1.5° | 0.0° |
| C19 | C14 | C15 | N16 | 0.2° | 0.1° |
| C14 | C19 | N20 | N18 | 178.8° | 180.0° |
| C14 | C19 | N18 | C17 | 1.2° | 0.0° |
| C14 | C19 | N20 | H13 | 178.8° | 0.0° |
| C14 | C19 | N20 | H14 | 58.8° | 180.0° |
| C15 | N16 | C17 | N18 | 1.5° | 0.0° |
| C15 | N16 | C17 | H7 | 178.5° | 180.0° |
| N20 | C19 | N18 | C17 | 179.9° | 180.0° |
| C19 | N20 | H13 | H14 | 120.0° | 180.0° |
| C19 | N18 | C17 | N16 | 0.0° | 0.1° |
| C19 | N18 | C17 | H7 | 180.0° | 179.9° |
| N18 | C19 | N20 | H13 | 0.0° | 179.9° |
| N18 | C19 | N20 | H14 | 120.0° | 0.0° |
| N16 | C17 | N18 | H7 | 180.0° | 180.0° |
| H1 | C4 | C3 | H3 | 0.6° | 0.0° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H8 | C21 | C22 | H9 | 0.8° | 0.0° |
| H10 | C27 | C28 | H11 | 0.4° | 0.1° |
| H11 | C28 | C29 | H12 | 0.3° | 0.1° |
