4XI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N2 | sing | 1.42Å | 1.39Å | |
| N2 | C13 | sing | 1.35Å | 1.33Å | |
| O1 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | C11 | sing | 1.47Å | 1.49Å | |
| CL1 | C4 | sing | 1.74Å | 1.74Å | |
| C11 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
| S1 | C8 | sing | 1.71Å | 1.73Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.51Å | 1.52Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | C24 | sing | 1.52Å | 1.53Å | |
| N1 | C23 | sing | 1.48Å | 1.46Å | |
| N1 | C21 | sing | 1.40Å | 1.40Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | N3 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.51Å | 1.52Å | |
| C24 | C15 | sing | 1.52Å | 1.53Å | |
| C22 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.08Å | 1.08Å | |
| N2 | H25 | 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 | N2 | C13 | 120.8° | 120.0° |
| O2 | N2 | H25 | 119.6° | 120.0° |
| N2 | O2 | H27 | 109.5° | 114.0° |
| N2 | C13 | O1 | 121.9° | 120.1° |
| N2 | C13 | C11 | 118.8° | 120.0° |
| C13 | N2 | H25 | 119.6° | 120.1° |
| O1 | C13 | C11 | 119.3° | 120.0° |
| C13 | C11 | C10 | 130.2° | 125.4° |
| C13 | C11 | S1 | 118.0° | 125.5° |
| CL1 | C4 | C3 | 119.3° | 120.0° |
| CL1 | C4 | C5 | 119.3° | 120.0° |
| C10 | C11 | S1 | 111.8° | 109.1° |
| C11 | C10 | C9 | 111.8° | 113.3° |
| C11 | C10 | H8 | 124.1° | 123.4° |
| C11 | S1 | C8 | 91.8° | 91.5° |
| C10 | C9 | C8 | 113.6° | 115.0° |
| C9 | C10 | H8 | 124.1° | 123.3° |
| C10 | C9 | H24 | 123.2° | 122.5° |
| C4 | C3 | C2 | 119.0° | 120.0° |
| C3 | C4 | C5 | 121.3° | 119.9° |
| C4 | C3 | H3 | 120.5° | 120.0° |
| C3 | C2 | C25 | 121.0° | 120.0° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | H4 | 120.4° | 120.0° |
| S1 | C8 | C9 | 111.0° | 111.0° |
| S1 | C8 | C7 | 121.3° | 124.5° |
| C9 | C8 | C7 | 127.6° | 124.5° |
| C8 | C9 | H24 | 123.2° | 122.5° |
| C2 | C25 | C6 | 118.6° | 120.0° |
| C2 | C25 | C23 | 120.9° | 120.0° |
| C25 | C2 | H2 | 119.5° | 119.9° |
| C8 | C7 | N1 | 112.1° | 109.5° |
| C8 | C7 | H6 | 108.8° | 109.5° |
| C8 | C7 | H7 | 108.8° | 109.5° |
| C5 | C6 | C25 | 120.9° | 120.0° |
| C6 | C5 | H4 | 120.4° | 120.0° |
| C5 | C6 | H5 | 119.5° | 120.0° |
| C6 | C25 | C23 | 120.5° | 120.0° |
| C25 | C6 | H5 | 119.5° | 120.0° |
| C25 | C23 | N1 | 113.6° | 111.0° |
| C25 | C23 | C24 | 116.2° | 110.8° |
| C25 | C23 | H19 | 107.3° | 110.7° |
| C7 | N1 | C23 | 123.2° | 111.0° |
| C7 | N1 | C21 | 124.9° | 111.0° |
| N1 | C7 | H6 | 108.8° | 109.5° |
| N1 | C7 | H7 | 108.8° | 109.5° |
| C17 | C14 | C24 | 111.4° | 109.4° |
| C14 | C17 | N3 | 111.6° | 109.4° |
| C17 | C14 | H10 | 109.0° | 109.4° |
| C17 | C14 | H11 | 109.0° | 109.4° |
| C14 | C17 | H16 | 108.9° | 109.4° |
| C14 | C17 | H17 | 108.9° | 109.5° |
| C14 | C24 | C23 | 113.5° | 110.4° |
| C14 | C24 | C22 | 109.7° | 110.7° |
| C14 | C24 | C15 | 107.9° | 110.8° |
| C24 | C14 | H10 | 109.0° | 109.5° |
| C24 | C14 | H11 | 109.0° | 109.5° |
| C23 | N1 | C21 | 111.8° | 107.8° |
| N1 | C23 | C24 | 104.5° | 102.5° |
| N1 | C23 | H19 | 108.0° | 110.8° |
| N1 | C21 | C20 | 127.6° | 129.9° |
| N1 | C21 | C22 | 110.3° | 111.0° |
| C23 | C24 | C22 | 103.6° | 103.5° |
| C23 | C24 | C15 | 112.1° | 110.4° |
| C24 | C23 | H19 | 106.8° | 110.8° |
| C21 | C20 | C19 | 117.3° | 120.2° |
| C20 | C21 | C22 | 122.1° | 119.1° |
| C21 | C20 | H23 | 121.4° | 119.9° |
| C20 | C19 | C12 | 121.4° | 120.3° |
| C20 | C19 | H18 | 119.3° | 119.8° |
| C19 | C20 | H23 | 121.4° | 119.9° |
| C17 | N3 | C18 | 110.9° | 111.0° |
| C17 | N3 | C16 | 110.3° | 111.3° |
| N3 | C17 | H16 | 108.9° | 109.5° |
| N3 | C17 | H17 | 108.9° | 109.5° |
| C21 | C22 | C24 | 109.7° | 107.7° |
| C21 | C22 | C1 | 119.9° | 120.4° |
| C19 | C12 | C1 | 120.7° | 119.8° |
| C19 | C12 | H9 | 119.7° | 120.1° |
| C12 | C19 | H18 | 119.3° | 119.9° |
| C22 | C24 | C15 | 109.8° | 110.8° |
| C24 | C22 | C1 | 130.4° | 131.9° |
| C24 | C15 | C16 | 109.6° | 109.4° |
| C24 | C15 | H12 | 109.5° | 109.5° |
| C24 | C15 | H13 | 109.4° | 109.5° |
| C22 | C1 | C12 | 118.6° | 120.2° |
| C22 | C1 | H1 | 120.7° | 119.9° |
| C12 | C1 | H1 | 120.7° | 119.9° |
| C1 | C12 | H9 | 119.6° | 120.0° |
| C18 | N3 | C16 | 110.6° | 111.0° |
| N3 | C18 | H20 | 109.5° | 109.4° |
| N3 | C18 | H21 | 109.4° | 109.5° |
| N3 | C18 | H22 | 109.5° | 109.5° |
| N3 | C16 | C15 | 110.7° | 109.4° |
| N3 | C16 | H14 | 109.2° | 109.5° |
| N3 | C16 | H15 | 109.2° | 109.5° |
| C16 | C15 | H12 | 109.4° | 109.5° |
| C16 | C15 | H13 | 109.4° | 109.5° |
| C15 | C16 | H14 | 109.2° | 109.4° |
| C15 | C16 | H15 | 109.1° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H20 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N2 | C13 | H25 | 180.0° | 179.9° |
| O2 | N2 | C13 | O1 | 2.5° | 0.0° |
| O2 | N2 | C13 | C11 | 177.1° | 180.0° |
| N2 | C13 | O1 | C11 | 179.6° | 180.0° |
| N2 | C13 | C11 | C10 | 2.4° | 180.0° |
| N2 | C13 | C11 | S1 | 177.4° | 0.0° |
| C13 | N2 | O2 | H27 | 1.1° | 180.0° |
| O1 | C13 | C11 | C10 | 177.9° | 0.0° |
| O1 | C13 | C11 | S1 | 2.3° | 179.9° |
| O1 | C13 | N2 | H25 | 177.5° | 180.0° |
| C13 | C11 | C10 | S1 | 179.8° | 179.9° |
| C13 | C11 | C10 | C9 | 178.5° | 180.0° |
| C13 | C11 | S1 | C8 | 177.9° | 179.9° |
| C13 | C11 | C10 | H8 | 1.5° | 0.1° |
| C11 | C13 | N2 | H25 | 2.8° | 0.1° |
| CL1 | C4 | C3 | C5 | 179.7° | 179.9° |
| CL1 | C4 | C3 | C2 | 179.9° | 179.9° |
| CL1 | C4 | C5 | C6 | 180.0° | 180.0° |
| CL1 | C4 | C3 | H3 | 0.1° | 0.0° |
| CL1 | C4 | C5 | H4 | 0.0° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C10 | C11 | S1 | C8 | 1.9° | 0.2° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C11 | C10 | C9 | H24 | 179.8° | 179.9° |
| S1 | C11 | C10 | C9 | 1.4° | 0.1° |
| C11 | S1 | C8 | C9 | 2.0° | 0.2° |
| C11 | S1 | C8 | C7 | 179.0° | 180.0° |
| S1 | C11 | C10 | H8 | 178.7° | 179.9° |
| C10 | C9 | C8 | S1 | 1.6° | 0.2° |
| C10 | C9 | C8 | H24 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 179.5° | 179.9° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C25 | 0.1° | 0.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | C2 | H2 | 179.9° | 179.6° |
| C3 | C4 | C5 | H4 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C25 | H2 | 180.0° | 179.6° |
| C3 | C2 | C25 | C6 | 0.4° | 0.1° |
| C3 | C2 | C25 | C23 | 179.9° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C25 | 0.0° | 0.0° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| S1 | C8 | C9 | C7 | 178.9° | 179.7° |
| S1 | C8 | C7 | N1 | 127.6° | 96.7° |
| S1 | C8 | C7 | H6 | 112.0° | 23.3° |
| S1 | C8 | C7 | H7 | 7.2° | 143.2° |
| S1 | C8 | C9 | H24 | 178.3° | 179.8° |
| C9 | C8 | C7 | N1 | 51.2° | 83.6° |
| C9 | C8 | C7 | H6 | 69.2° | 156.4° |
| C9 | C8 | C7 | H7 | 171.6° | 36.5° |
| C8 | C9 | C10 | H8 | 179.8° | 180.0° |
| C2 | C25 | C6 | C5 | 0.3° | 0.1° |
| C2 | C25 | C6 | C23 | 179.5° | 179.8° |
| C2 | C25 | C23 | N1 | 47.8° | 49.8° |
| C2 | C25 | C23 | C24 | 73.5° | 63.4° |
| C25 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C25 | C6 | H5 | 179.7° | 179.9° |
| C2 | C25 | C23 | H19 | 167.1° | 173.3° |
| C8 | C7 | N1 | H6 | 120.4° | 120.0° |
| C8 | C7 | N1 | H7 | 120.4° | 120.1° |
| C8 | C7 | N1 | C23 | 96.7° | 67.5° |
| C8 | C7 | N1 | C21 | 85.7° | 172.6° |
| C8 | C7 | H6 | H7 | 118.8° | 120.0° |
| C7 | C8 | C9 | H24 | 0.5° | 0.0° |
| C5 | C6 | C25 | H5 | 180.0° | 180.0° |
| C5 | C6 | C25 | C23 | 179.8° | 179.7° |
| C6 | C25 | C23 | N1 | 131.6° | 130.4° |
| C6 | C25 | C23 | C24 | 107.0° | 116.4° |
| C6 | C25 | C2 | H2 | 179.6° | 179.7° |
| C25 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C25 | C23 | H19 | 12.4° | 6.9° |
| C25 | C23 | N1 | C7 | 51.7° | 30.4° |
| C25 | C23 | C24 | C14 | 9.6° | 24.9° |
| C25 | C23 | N1 | C24 | 127.7° | 118.3° |
| C25 | C23 | N1 | H19 | 118.9° | 123.4° |
| C25 | C23 | N1 | C21 | 130.4° | 91.4° |
| C25 | C23 | C24 | H19 | 119.6° | 123.2° |
| C25 | C23 | C24 | C22 | 128.6° | 93.6° |
| C25 | C23 | C24 | C15 | 113.0° | 147.8° |
| C23 | C25 | C2 | H2 | 0.1° | 0.1° |
| C23 | C25 | C6 | H5 | 0.2° | 0.3° |
| C7 | N1 | C23 | C21 | 177.9° | 121.8° |
| C7 | N1 | C23 | C24 | 179.3° | 148.7° |
| C7 | N1 | C21 | C20 | 0.1° | 40.1° |
| C7 | N1 | C21 | C22 | 179.7° | 140.4° |
| N1 | C7 | H6 | H7 | 118.8° | 120.0° |
| C7 | N1 | C23 | H19 | 67.2° | 93.1° |
| C17 | C14 | C24 | H10 | 120.3° | 120.0° |
| C17 | C14 | C24 | H11 | 120.3° | 120.0° |
| C17 | C14 | C24 | C23 | 170.0° | 66.9° |
| C14 | C17 | N3 | H16 | 120.3° | 119.9° |
| C14 | C17 | N3 | H17 | 120.3° | 120.0° |
| C17 | C14 | C24 | C22 | 74.6° | 179.1° |
| C17 | C14 | C24 | C15 | 45.1° | 55.8° |
| C14 | C17 | N3 | C18 | 111.7° | 173.6° |
| C14 | C17 | N3 | C16 | 11.2° | 62.3° |
| C17 | C14 | H10 | H11 | 119.1° | 119.9° |
| C14 | C17 | H16 | H17 | 119.0° | 120.0° |
| C14 | C24 | C23 | N1 | 116.4° | 143.4° |
| C14 | C24 | C23 | C22 | 119.0° | 118.5° |
| C14 | C24 | C23 | C15 | 122.7° | 122.9° |
| C24 | C14 | C17 | N3 | 62.6° | 58.0° |
| C14 | C24 | C22 | C21 | 119.9° | 133.5° |
| C14 | C24 | C22 | C15 | 118.5° | 123.3° |
| C14 | C24 | C22 | C1 | 60.4° | 45.9° |
| C14 | C24 | C15 | C16 | 15.5° | 55.8° |
| C24 | C14 | H10 | H11 | 119.1° | 120.1° |
| C14 | C24 | C15 | H12 | 104.6° | 175.8° |
| C14 | C24 | C15 | H13 | 135.5° | 64.2° |
| C24 | C14 | C17 | H16 | 177.1° | 61.9° |
| C24 | C14 | C17 | H17 | 57.7° | 178.0° |
| C14 | C24 | C23 | H19 | 129.3° | 98.3° |
| N1 | C23 | C24 | H19 | 114.3° | 118.3° |
| C23 | N1 | C21 | C20 | 177.8° | 161.9° |
| C23 | N1 | C21 | C22 | 1.8° | 18.6° |
| N1 | C23 | C24 | C22 | 2.6° | 24.9° |
| N1 | C23 | C24 | C15 | 120.9° | 93.7° |
| C23 | N1 | C7 | H6 | 143.0° | 52.5° |
| C23 | N1 | C7 | H7 | 23.7° | 172.4° |
| C21 | N1 | C23 | C24 | 2.8° | 26.9° |
| N1 | C21 | C20 | C22 | 179.5° | 179.5° |
| N1 | C21 | C20 | C19 | 179.8° | 179.4° |
| N1 | C21 | C22 | C24 | 0.0° | 1.5° |
| N1 | C21 | C22 | C1 | 179.7° | 179.0° |
| C21 | N1 | C7 | H6 | 34.7° | 67.4° |
| C21 | N1 | C7 | H7 | 153.9° | 52.5° |
| C21 | N1 | C23 | H19 | 110.7° | 145.1° |
| N1 | C21 | C20 | H23 | 0.3° | 0.8° |
| C23 | C24 | C22 | C21 | 1.7° | 15.2° |
| C23 | C24 | C22 | C15 | 119.9° | 118.4° |
| C23 | C24 | C22 | C1 | 178.1° | 164.2° |
| C23 | C24 | C15 | C16 | 110.3° | 66.9° |
| C23 | C24 | C14 | H10 | 69.7° | 173.2° |
| C23 | C24 | C14 | H11 | 49.8° | 53.1° |
| C23 | C24 | C15 | H12 | 129.7° | 53.1° |
| C23 | C24 | C15 | H13 | 9.7° | 173.1° |
| C21 | C20 | C19 | H23 | 180.0° | 179.8° |
| C21 | C20 | C19 | C12 | 0.2° | 0.3° |
| C20 | C21 | C22 | C24 | 179.6° | 178.9° |
| C20 | C21 | C22 | C1 | 0.1° | 0.6° |
| C21 | C20 | C19 | H18 | 179.8° | 179.7° |
| C19 | C20 | C21 | C22 | 0.2° | 0.1° |
| C20 | C19 | C12 | H18 | 180.0° | 180.0° |
| C20 | C19 | C12 | C1 | 0.0° | 0.2° |
| C20 | C19 | C12 | H9 | 179.9° | 179.8° |
| C17 | N3 | C18 | C16 | 122.7° | 124.3° |
| C17 | N3 | C16 | C15 | 52.0° | 62.4° |
| N3 | C17 | C14 | H10 | 177.1° | 62.0° |
| N3 | C17 | C14 | H11 | 57.7° | 178.0° |
| C17 | N3 | C16 | H14 | 68.2° | 177.6° |
| C17 | N3 | C16 | H15 | 172.1° | 57.6° |
| N3 | C17 | H16 | H17 | 119.0° | 120.1° |
| C17 | N3 | C18 | H20 | 180.0° | 60.0° |
| C17 | N3 | C18 | H21 | 60.0° | 180.0° |
| C17 | N3 | C18 | H22 | 60.0° | 60.0° |
| C21 | C22 | C24 | C1 | 179.7° | 179.4° |
| C21 | C22 | C24 | C15 | 121.6° | 103.2° |
| C21 | C22 | C1 | C12 | 0.1° | 0.7° |
| C21 | C22 | C1 | H1 | 179.9° | 179.6° |
| C22 | C21 | C20 | H23 | 179.8° | 179.7° |
| C19 | C12 | C1 | C22 | 0.2° | 0.3° |
| C19 | C12 | C1 | H9 | 180.0° | 179.9° |
| C19 | C12 | C1 | H1 | 179.9° | 180.0° |
| C12 | C19 | C20 | H23 | 179.9° | 179.9° |
| C24 | C22 | C1 | C12 | 179.8° | 178.7° |
| C22 | C24 | C15 | C16 | 135.0° | 179.1° |
| C24 | C22 | C1 | H1 | 0.2° | 1.0° |
| C22 | C24 | C14 | H10 | 45.7° | 59.2° |
| C22 | C24 | C14 | H11 | 165.2° | 60.9° |
| C22 | C24 | C15 | H12 | 15.0° | 61.0° |
| C22 | C24 | C15 | H13 | 104.9° | 59.0° |
| C22 | C24 | C23 | H19 | 111.8° | 143.2° |
| C15 | C24 | C22 | C1 | 58.1° | 77.4° |
| C24 | C15 | C16 | N3 | 67.8° | 58.0° |
| C24 | C15 | C16 | H12 | 120.0° | 120.0° |
| C24 | C15 | C16 | H13 | 120.0° | 120.0° |
| C15 | C24 | C14 | H10 | 165.4° | 64.2° |
| C15 | C24 | C14 | H11 | 75.2° | 175.8° |
| C24 | C15 | H12 | H13 | 119.9° | 120.0° |
| C24 | C15 | C16 | H14 | 52.4° | 178.1° |
| C24 | C15 | C16 | H15 | 172.0° | 62.0° |
| C15 | C24 | C23 | H19 | 6.6° | 24.6° |
| C22 | C1 | C12 | H1 | 180.0° | 179.7° |
| C22 | C1 | C12 | H9 | 179.8° | 179.8° |
| C1 | C12 | C19 | H18 | 180.0° | 179.8° |
| C18 | N3 | C16 | C15 | 175.0° | 173.5° |
| C18 | N3 | C16 | H14 | 54.8° | 53.5° |
| C18 | N3 | C16 | H15 | 64.9° | 66.5° |
| C18 | N3 | C17 | H16 | 8.6° | 66.5° |
| C18 | N3 | C17 | H17 | 128.0° | 53.6° |
| N3 | C18 | H20 | H21 | 120.0° | 119.9° |
| N3 | C18 | H20 | H22 | 120.0° | 120.0° |
| N3 | C18 | H21 | H22 | 120.0° | 120.0° |
| N3 | C16 | C15 | H14 | 120.2° | 120.0° |
| N3 | C16 | C15 | H15 | 120.2° | 120.0° |
| N3 | C16 | C15 | H12 | 52.2° | 178.0° |
| N3 | C16 | C15 | H13 | 172.2° | 61.9° |
| N3 | C16 | H14 | H15 | 119.5° | 120.1° |
| C16 | N3 | C17 | H16 | 131.5° | 57.6° |
| C16 | N3 | C17 | H17 | 109.1° | 177.7° |
| C16 | N3 | C18 | H20 | 57.3° | 175.7° |
| C16 | N3 | C18 | H21 | 62.7° | 55.7° |
| C16 | N3 | C18 | H22 | 177.3° | 64.4° |
| C16 | C15 | H12 | H13 | 119.9° | 120.1° |
| C15 | C16 | H14 | H15 | 119.4° | 119.9° |
| H1 | C1 | C12 | H9 | 0.2° | 0.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.4° |
| H4 | C5 | C6 | H5 | 0.0° | 0.0° |
| H8 | C10 | C9 | H24 | 0.2° | 0.1° |
| H9 | C12 | C19 | H18 | 0.1° | 0.2° |
| H10 | C14 | C17 | H16 | 56.8° | 178.0° |
| H10 | C14 | C17 | H17 | 62.6° | 58.0° |
| H11 | C14 | C17 | H16 | 62.7° | 58.1° |
| H11 | C14 | C17 | H17 | 178.0° | 62.0° |
| H12 | C15 | C16 | H14 | 172.4° | 62.0° |
| H12 | C15 | C16 | H15 | 68.0° | 58.0° |
| H13 | C15 | C16 | H14 | 67.6° | 58.1° |
| H13 | C15 | C16 | H15 | 52.0° | 178.1° |
| H18 | C19 | C20 | H23 | 0.1° | 0.1° |
| H20 | C18 | H21 | H22 | 120.0° | 120.0° |
| H25 | N2 | O2 | H27 | 178.9° | 0.0° |
