4WB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N3 | sing | 1.42Å | 1.38Å | |
| N3 | C25 | sing | 1.35Å | 1.33Å | |
| O1 | C25 | doub | 1.22Å | 1.23Å | |
| C25 | C24 | sing | 1.47Å | 1.50Å | |
| C24 | C23 | doub | 1.37Å | 1.40Å | Aromatic |
| C24 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| CL1 | C11 | sing | 1.74Å | 1.74Å | |
| C23 | C22 | sing | 1.37Å | 1.42Å | Aromatic |
| S1 | C21 | sing | 1.71Å | 1.73Å | Aromatic |
| C22 | C21 | doub | 1.34Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C9 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | C8 | sing | 1.52Å | 1.54Å | |
| C7 | N1 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | sing | 1.54Å | 1.56Å | |
| C20 | N1 | sing | 1.47Å | 1.45Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N2 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.40Å | 1.40Å | |
| C8 | C6 | sing | 1.51Å | 1.55Å | |
| C8 | C16 | sing | 1.52Å | 1.54Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C19 | sing | 1.47Å | 1.48Å | |
| N2 | C17 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N3 | C25 | 121.4° | 120.0° |
| O2 | N3 | H26 | 119.3° | 120.0° |
| N3 | O2 | H27 | 109.5° | 114.0° |
| N3 | C25 | O1 | 122.2° | 120.0° |
| N3 | C25 | C24 | 116.6° | 120.0° |
| C25 | N3 | H26 | 119.3° | 120.0° |
| O1 | C25 | C24 | 121.2° | 120.0° |
| C25 | C24 | C23 | 128.0° | 125.5° |
| C25 | C24 | S1 | 120.6° | 125.5° |
| C23 | C24 | S1 | 111.4° | 109.0° |
| C24 | C23 | C22 | 111.6° | 113.3° |
| C24 | C23 | H25 | 124.2° | 123.3° |
| C24 | S1 | C21 | 91.8° | 91.6° |
| CL1 | C11 | C10 | 118.1° | 120.0° |
| CL1 | C11 | C12 | 120.0° | 120.0° |
| C23 | C22 | C21 | 112.7° | 115.1° |
| C23 | C22 | H24 | 123.6° | 122.4° |
| C22 | C23 | H25 | 124.2° | 123.4° |
| S1 | C21 | C22 | 111.4° | 111.0° |
| S1 | C21 | C20 | 121.3° | 124.5° |
| C22 | C21 | C20 | 127.3° | 124.5° |
| C21 | C22 | H24 | 123.6° | 122.5° |
| C10 | C11 | C12 | 121.9° | 120.0° |
| C11 | C10 | C9 | 120.0° | 120.0° |
| C11 | C10 | H6 | 120.0° | 120.0° |
| C11 | C12 | C13 | 118.1° | 120.0° |
| C11 | C12 | H7 | 120.9° | 120.0° |
| C10 | C9 | C7 | 119.4° | 120.0° |
| C10 | C9 | C14 | 118.6° | 120.0° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C21 | C20 | N1 | 110.8° | 109.5° |
| C21 | C20 | H22 | 109.1° | 109.5° |
| C21 | C20 | H23 | 109.2° | 109.5° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C13 | C12 | H7 | 120.9° | 120.0° |
| C12 | C13 | H8 | 119.7° | 120.1° |
| C7 | C9 | C14 | 122.0° | 120.0° |
| C9 | C7 | N1 | 115.3° | 110.9° |
| C9 | C7 | C8 | 116.3° | 110.8° |
| C9 | C7 | H1 | 107.7° | 110.8° |
| C9 | C14 | C13 | 120.8° | 120.0° |
| C9 | C14 | H9 | 119.6° | 120.0° |
| C18 | C15 | C8 | 113.5° | 109.4° |
| C15 | C18 | N2 | 112.6° | 109.5° |
| C18 | C15 | H10 | 108.4° | 109.4° |
| C18 | C15 | H11 | 108.5° | 109.5° |
| C15 | C18 | H16 | 108.7° | 109.5° |
| C15 | C18 | H17 | 108.7° | 109.4° |
| C15 | C8 | C7 | 109.1° | 110.4° |
| C15 | C8 | C6 | 116.7° | 110.8° |
| C15 | C8 | C16 | 108.7° | 110.8° |
| C8 | C15 | H10 | 108.5° | 109.5° |
| C8 | C15 | H11 | 108.4° | 109.5° |
| N1 | C7 | C8 | 101.5° | 102.5° |
| C7 | N1 | C20 | 120.5° | 111.0° |
| C7 | N1 | C5 | 106.3° | 107.9° |
| N1 | C7 | H1 | 108.3° | 110.8° |
| C7 | C8 | C6 | 97.5° | 103.5° |
| C7 | C8 | C16 | 116.6° | 110.4° |
| C8 | C7 | H1 | 107.2° | 110.8° |
| C20 | N1 | C5 | 121.8° | 111.0° |
| N1 | C20 | H22 | 109.1° | 109.5° |
| N1 | C20 | H23 | 109.1° | 109.5° |
| C14 | C13 | H8 | 119.7° | 119.9° |
| C13 | C14 | H9 | 119.6° | 120.0° |
| C18 | N2 | C19 | 110.9° | 111.0° |
| C18 | N2 | C17 | 111.6° | 111.3° |
| N2 | C18 | H16 | 108.7° | 109.5° |
| N2 | C18 | H17 | 108.7° | 109.4° |
| N1 | C5 | C6 | 108.4° | 110.9° |
| N1 | C5 | C4 | 129.0° | 129.9° |
| C6 | C8 | C16 | 108.2° | 110.8° |
| C8 | C6 | C5 | 109.2° | 107.7° |
| C8 | C6 | C1 | 131.5° | 131.9° |
| C8 | C16 | C17 | 111.4° | 109.3° |
| C8 | C16 | H12 | 109.0° | 109.5° |
| C8 | C16 | H13 | 109.0° | 109.5° |
| C6 | C5 | C4 | 122.6° | 119.2° |
| C5 | C6 | C1 | 119.3° | 120.4° |
| C5 | C4 | C3 | 117.3° | 120.2° |
| C5 | C4 | H5 | 121.3° | 119.9° |
| C6 | C1 | C2 | 118.8° | 120.1° |
| C6 | C1 | H2 | 120.6° | 119.9° |
| C4 | C3 | C2 | 121.1° | 120.2° |
| C4 | C3 | H4 | 119.5° | 119.9° |
| C3 | C4 | H5 | 121.3° | 119.9° |
| C1 | C2 | C3 | 120.8° | 119.9° |
| C2 | C1 | H2 | 120.6° | 120.0° |
| C1 | C2 | H3 | 119.6° | 120.0° |
| C3 | C2 | H3 | 119.6° | 120.1° |
| C2 | C3 | H4 | 119.4° | 119.9° |
| C19 | N2 | C17 | 110.6° | 111.0° |
| N2 | C19 | H19 | 109.5° | 109.4° |
| N2 | C19 | H20 | 109.5° | 109.5° |
| N2 | C19 | H21 | 109.5° | 109.4° |
| N2 | C17 | C16 | 111.4° | 109.5° |
| N2 | C17 | H14 | 109.0° | 109.5° |
| N2 | C17 | H15 | 109.0° | 109.5° |
| C17 | C16 | H12 | 109.0° | 109.5° |
| C17 | C16 | H13 | 109.0° | 109.5° |
| C16 | C17 | H14 | 109.0° | 109.5° |
| C16 | C17 | H15 | 109.0° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H22 | C20 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N3 | C25 | H26 | 180.0° | 179.9° |
| O2 | N3 | C25 | O1 | 14.4° | 0.1° |
| O2 | N3 | C25 | C24 | 166.2° | 180.0° |
| N3 | C25 | O1 | C24 | 179.4° | 180.0° |
| N3 | C25 | C24 | C23 | 15.1° | 179.9° |
| N3 | C25 | C24 | S1 | 162.8° | 0.2° |
| C25 | N3 | O2 | H27 | 6.7° | 180.0° |
| O1 | C25 | C24 | C23 | 165.5° | 0.0° |
| O1 | C25 | C24 | S1 | 16.6° | 179.8° |
| O1 | C25 | N3 | H26 | 165.6° | 180.0° |
| C25 | C24 | C23 | S1 | 178.1° | 179.8° |
| C25 | C24 | C23 | C22 | 167.2° | 180.0° |
| C25 | C24 | S1 | C21 | 171.9° | 179.9° |
| C25 | C24 | C23 | H25 | 12.9° | 0.1° |
| C24 | C25 | N3 | H26 | 13.8° | 0.0° |
| C24 | C23 | C22 | H25 | 180.0° | 179.9° |
| C23 | C24 | S1 | C21 | 6.3° | 0.3° |
| C24 | C23 | C22 | C21 | 11.1° | 0.0° |
| C24 | C23 | C22 | H24 | 168.9° | 179.9° |
| S1 | C24 | C23 | C22 | 10.9° | 0.2° |
| C24 | S1 | C21 | C22 | 0.0° | 0.3° |
| C24 | S1 | C21 | C20 | 178.3° | 180.0° |
| S1 | C24 | C23 | H25 | 169.1° | 179.8° |
| CL1 | C11 | C10 | C12 | 179.9° | 180.0° |
| CL1 | C11 | C10 | C9 | 179.8° | 180.0° |
| CL1 | C11 | C12 | C13 | 179.5° | 180.0° |
| CL1 | C11 | C10 | H6 | 0.1° | 0.0° |
| CL1 | C11 | C12 | H7 | 0.5° | 0.1° |
| C23 | C22 | C21 | S1 | 6.2° | 0.3° |
| C23 | C22 | C21 | H24 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 171.9° | 179.9° |
| S1 | C21 | C22 | C20 | 178.2° | 179.7° |
| S1 | C21 | C20 | N1 | 115.6° | 90.3° |
| S1 | C21 | C20 | H22 | 124.2° | 149.7° |
| S1 | C21 | C20 | H23 | 4.6° | 29.7° |
| S1 | C21 | C22 | H24 | 173.8° | 179.8° |
| C22 | C21 | C20 | N1 | 62.4° | 90.0° |
| C22 | C21 | C20 | H22 | 57.8° | 30.0° |
| C22 | C21 | C20 | H23 | 177.4° | 149.9° |
| C21 | C22 | C23 | H25 | 168.9° | 179.9° |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C11 | C10 | C9 | C7 | 179.3° | 180.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.2° |
| C10 | C11 | C12 | H7 | 179.6° | 180.0° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.2° |
| C12 | C11 | C10 | H6 | 180.0° | 179.9° |
| C11 | C12 | C13 | H8 | 179.6° | 180.0° |
| C10 | C9 | C7 | C14 | 179.6° | 179.7° |
| C10 | C9 | C7 | N1 | 137.0° | 38.3° |
| C10 | C9 | C7 | C8 | 104.4° | 74.8° |
| C10 | C9 | C14 | C13 | 0.3° | 0.5° |
| C10 | C9 | C7 | H1 | 16.0° | 161.8° |
| C10 | C9 | C14 | H9 | 179.7° | 179.7° |
| C21 | C20 | N1 | C7 | 51.9° | 170.0° |
| C21 | C20 | N1 | H22 | 120.2° | 120.0° |
| C21 | C20 | N1 | H23 | 120.2° | 120.0° |
| C21 | C20 | N1 | C5 | 86.6° | 70.0° |
| C21 | C20 | H22 | H23 | 119.4° | 120.0° |
| C20 | C21 | C22 | H24 | 8.0° | 0.1° |
| C12 | C13 | C14 | C9 | 0.1° | 0.4° |
| C12 | C13 | C14 | H8 | 180.0° | 179.8° |
| C12 | C13 | C14 | H9 | 179.9° | 179.7° |
| C9 | C7 | C8 | C15 | 74.9° | 148.2° |
| C9 | C7 | N1 | C8 | 126.6° | 118.3° |
| C9 | C7 | N1 | H1 | 120.7° | 123.5° |
| C9 | C7 | C8 | H1 | 120.6° | 123.4° |
| C9 | C7 | N1 | C20 | 49.1° | 146.7° |
| C7 | C9 | C14 | C13 | 179.4° | 179.8° |
| C9 | C7 | N1 | C5 | 166.8° | 91.4° |
| C9 | C7 | C8 | C6 | 163.4° | 93.3° |
| C9 | C7 | C8 | C16 | 48.7° | 25.3° |
| C7 | C9 | C10 | H6 | 0.7° | 0.1° |
| C7 | C9 | C14 | H9 | 0.6° | 0.1° |
| C14 | C9 | C7 | N1 | 42.7° | 141.5° |
| C14 | C9 | C7 | C8 | 76.0° | 105.4° |
| C9 | C14 | C13 | H9 | 180.0° | 179.9° |
| C14 | C9 | C7 | H1 | 163.7° | 18.0° |
| C14 | C9 | C10 | H6 | 179.7° | 179.8° |
| C9 | C14 | C13 | H8 | 179.9° | 179.7° |
| C18 | C15 | C8 | H10 | 120.6° | 119.9° |
| C18 | C15 | C8 | H11 | 120.6° | 120.0° |
| C18 | C15 | C8 | C7 | 177.9° | 178.5° |
| C15 | C18 | N2 | H16 | 120.5° | 120.1° |
| C15 | C18 | N2 | H17 | 120.5° | 119.9° |
| C18 | C15 | C8 | C6 | 72.9° | 67.5° |
| C18 | C15 | C8 | C16 | 49.7° | 55.9° |
| C15 | C18 | N2 | C19 | 178.1° | 173.6° |
| C15 | C18 | N2 | C17 | 54.3° | 62.2° |
| C18 | C15 | H10 | H11 | 118.2° | 120.0° |
| C15 | C18 | H16 | H17 | 118.6° | 120.0° |
| C15 | C8 | C7 | N1 | 159.2° | 93.5° |
| C15 | C8 | C7 | C6 | 121.7° | 118.5° |
| C15 | C8 | C7 | C16 | 123.6° | 122.9° |
| C8 | C15 | C18 | N2 | 50.9° | 58.0° |
| C15 | C8 | C6 | C16 | 122.9° | 123.4° |
| C15 | C8 | C6 | C5 | 140.6° | 102.9° |
| C15 | C8 | C6 | C1 | 42.6° | 77.6° |
| C15 | C8 | C16 | C17 | 53.4° | 55.9° |
| C15 | C8 | C7 | H1 | 45.7° | 24.7° |
| C8 | C15 | H10 | H11 | 118.1° | 120.1° |
| C15 | C8 | C16 | H12 | 173.7° | 175.9° |
| C15 | C8 | C16 | H13 | 66.9° | 64.0° |
| C8 | C15 | C18 | H16 | 171.4° | 178.0° |
| C8 | C15 | C18 | H17 | 69.6° | 62.0° |
| N1 | C7 | C8 | H1 | 113.5° | 118.2° |
| C7 | N1 | C20 | C5 | 138.6° | 120.0° |
| N1 | C7 | C8 | C6 | 37.5° | 25.0° |
| N1 | C7 | C8 | C16 | 77.2° | 143.6° |
| C7 | N1 | C5 | C6 | 24.9° | 18.4° |
| C7 | N1 | C5 | C4 | 155.2° | 162.0° |
| C7 | N1 | C20 | H22 | 172.1° | 70.0° |
| C7 | N1 | C20 | H23 | 68.3° | 49.9° |
| C8 | C7 | N1 | C20 | 175.7° | 95.0° |
| C8 | C7 | N1 | C5 | 40.2° | 26.9° |
| C7 | C8 | C6 | C16 | 121.3° | 118.3° |
| C7 | C8 | C6 | C5 | 24.7° | 15.4° |
| C7 | C8 | C6 | C1 | 158.5° | 164.2° |
| C7 | C8 | C16 | C17 | 177.2° | 178.5° |
| C7 | C8 | C15 | H10 | 61.5° | 58.6° |
| C7 | C8 | C15 | H11 | 57.3° | 61.5° |
| C7 | C8 | C16 | H12 | 62.4° | 61.5° |
| C7 | C8 | C16 | H13 | 57.0° | 58.6° |
| C20 | N1 | C5 | C6 | 168.5° | 103.4° |
| C20 | N1 | C5 | C4 | 11.6° | 76.1° |
| C20 | N1 | C7 | H1 | 71.7° | 23.2° |
| N1 | C20 | H22 | H23 | 119.4° | 120.0° |
| C14 | C13 | C12 | H7 | 179.6° | 179.7° |
| C18 | N2 | C19 | C17 | 124.4° | 124.4° |
| C18 | N2 | C17 | C16 | 58.8° | 62.3° |
| N2 | C18 | C15 | H10 | 171.5° | 61.9° |
| N2 | C18 | C15 | H11 | 69.7° | 178.0° |
| C18 | N2 | C17 | H14 | 179.0° | 57.7° |
| C18 | N2 | C17 | H15 | 61.5° | 177.8° |
| N2 | C18 | H16 | H17 | 118.6° | 120.0° |
| C18 | N2 | C19 | H19 | 180.0° | 60.0° |
| C18 | N2 | C19 | H20 | 60.0° | 180.0° |
| C18 | N2 | C19 | H21 | 60.0° | 59.9° |
| N1 | C5 | C6 | C8 | 1.4° | 1.2° |
| N1 | C5 | C6 | C4 | 179.9° | 179.6° |
| N1 | C5 | C6 | C1 | 178.6° | 179.1° |
| N1 | C5 | C4 | C3 | 179.0° | 179.2° |
| C5 | N1 | C7 | H1 | 72.5° | 145.1° |
| N1 | C5 | C4 | H5 | 1.0° | 0.8° |
| C5 | N1 | C20 | H22 | 33.5° | 50.0° |
| C5 | N1 | C20 | H23 | 153.1° | 170.0° |
| C8 | C6 | C5 | C1 | 177.3° | 179.6° |
| C8 | C6 | C5 | C4 | 178.5° | 179.2° |
| C8 | C6 | C1 | C2 | 178.6° | 179.2° |
| C6 | C8 | C16 | C17 | 74.2° | 67.5° |
| C6 | C8 | C7 | H1 | 75.9° | 143.3° |
| C8 | C6 | C1 | H2 | 1.4° | 0.8° |
| C6 | C8 | C15 | H10 | 47.7° | 172.6° |
| C6 | C8 | C15 | H11 | 166.4° | 52.5° |
| C6 | C8 | C16 | H12 | 46.1° | 52.5° |
| C6 | C8 | C16 | H13 | 165.5° | 172.6° |
| C16 | C8 | C6 | C5 | 96.5° | 133.7° |
| C16 | C8 | C6 | C1 | 80.3° | 45.9° |
| C8 | C16 | C17 | N2 | 59.3° | 58.0° |
| C8 | C16 | C17 | H12 | 120.3° | 120.0° |
| C8 | C16 | C17 | H13 | 120.3° | 119.9° |
| C16 | C8 | C7 | H1 | 169.3° | 98.1° |
| C16 | C8 | C15 | H10 | 170.3° | 64.0° |
| C16 | C8 | C15 | H11 | 70.9° | 175.9° |
| C8 | C16 | H12 | H13 | 119.1° | 120.1° |
| C8 | C16 | C17 | H14 | 179.6° | 62.0° |
| C8 | C16 | C17 | H15 | 61.0° | 178.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.3° |
| C5 | C6 | C1 | C2 | 2.1° | 0.3° |
| C5 | C6 | C1 | H2 | 177.9° | 179.7° |
| C6 | C5 | C4 | H5 | 179.1° | 179.7° |
| C4 | C5 | C6 | C1 | 1.3° | 0.4° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C5 | C4 | C3 | H4 | 178.7° | 179.9° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 2.5° | 0.0° |
| C6 | C1 | C2 | H3 | 177.5° | 180.0° |
| C4 | C3 | C2 | C1 | 2.2° | 0.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H3 | 177.8° | 179.9° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4 | 177.8° | 179.8° |
| C3 | C2 | C1 | H2 | 177.5° | 180.0° |
| C2 | C3 | C4 | H5 | 178.7° | 180.0° |
| C19 | N2 | C17 | C16 | 177.3° | 173.5° |
| C19 | N2 | C17 | H14 | 57.0° | 66.5° |
| C19 | N2 | C17 | H15 | 62.4° | 53.5° |
| C19 | N2 | C18 | H16 | 61.4° | 53.5° |
| C19 | N2 | C18 | H17 | 57.6° | 66.5° |
| N2 | C19 | H19 | H20 | 120.0° | 120.0° |
| N2 | C19 | H19 | H21 | 120.0° | 119.9° |
| N2 | C19 | H20 | H21 | 120.0° | 120.0° |
| N2 | C17 | C16 | H14 | 120.3° | 120.0° |
| N2 | C17 | C16 | H15 | 120.3° | 120.0° |
| N2 | C17 | C16 | H12 | 179.6° | 178.0° |
| N2 | C17 | C16 | H13 | 61.0° | 61.9° |
| N2 | C17 | H14 | H15 | 119.2° | 120.1° |
| C17 | N2 | C18 | H16 | 174.8° | 177.7° |
| C17 | N2 | C18 | H17 | 66.2° | 57.7° |
| C17 | N2 | C19 | H19 | 55.6° | 64.4° |
| C17 | N2 | C19 | H20 | 175.7° | 55.6° |
| C17 | N2 | C19 | H21 | 64.3° | 175.7° |
| C17 | C16 | H12 | H13 | 119.1° | 120.1° |
| C16 | C17 | H14 | H15 | 119.1° | 119.9° |
| H2 | C1 | C2 | H3 | 2.5° | 0.0° |
| H3 | C2 | C3 | H4 | 2.2° | 0.2° |
| H4 | C3 | C4 | H5 | 1.3° | 0.0° |
| H7 | C12 | C13 | H8 | 0.4° | 0.1° |
| H8 | C13 | C14 | H9 | 0.1° | 0.1° |
| H10 | C15 | C18 | H16 | 68.0° | 58.1° |
| H10 | C15 | C18 | H17 | 51.0° | 178.1° |
| H11 | C15 | C18 | H16 | 50.8° | 61.9° |
| H11 | C15 | C18 | H17 | 169.8° | 58.1° |
| H12 | C16 | C17 | H14 | 60.1° | 58.0° |
| H12 | C16 | C17 | H15 | 59.3° | 62.0° |
| H13 | C16 | C17 | H14 | 59.3° | 178.1° |
| H13 | C16 | C17 | H15 | 178.8° | 58.1° |
| H19 | C19 | H20 | H21 | 120.0° | 120.1° |
| H24 | C22 | C23 | H25 | 11.1° | 0.0° |
| H26 | N3 | O2 | H27 | 173.3° | 0.0° |
