A1CG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C16 | sing | 1.38Å | 1.35Å | |
| C26 | C25 | sing | 1.55Å | 1.53Å | |
| C26 | N5 | sing | 1.50Å | 1.49Å | |
| N7 | C34 | trip | 1.14Å | 1.14Å | |
| C27 | C28 | sing | 1.54Å | 1.51Å | |
| C27 | C18 | sing | 1.55Å | 1.54Å | |
| C34 | C15 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.55Å | 1.52Å | |
| C16 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | S1 | sing | 1.75Å | 1.74Å | Aromatic |
| N5 | C21 | sing | 1.48Å | 1.48Å | |
| N5 | C20 | sing | 1.48Å | 1.51Å | |
| C28 | N6 | sing | 1.47Å | 1.46Å | |
| C15 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C21 | C22 | sing | 1.58Å | 1.52Å | |
| C19 | N4 | sing | 1.47Å | 1.48Å | |
| C19 | C31 | sing | 1.53Å | 1.51Å | |
| C24 | C20 | sing | 1.54Å | 1.53Å | |
| C18 | N4 | sing | 1.47Å | 1.49Å | |
| C18 | C29 | sing | 1.55Å | 1.53Å | |
| N4 | C2 | sing | 1.38Å | 1.39Å | |
| C20 | C17 | sing | 1.53Å | 1.52Å | |
| C20 | C23 | sing | 1.54Å | 1.53Å | |
| S1 | C11 | sing | 1.76Å | 1.73Å | Aromatic |
| C17 | O1 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
| N1 | C1 | doub | 1.33Å | 1.33Å | Aromatic |
| O1 | C1 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | doub | 1.42Å | 1.45Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.32Å | Aromatic |
| O2 | C32 | sing | 1.45Å | 1.45Å | |
| O2 | C30 | sing | 1.35Å | 1.33Å | |
| N6 | C29 | sing | 1.47Å | 1.47Å | |
| N6 | C30 | sing | 1.35Å | 1.34Å | |
| F3 | C22 | sing | 1.40Å | 1.39Å | |
| C3 | C4 | sing | 1.42Å | 1.41Å | Aromatic |
| C3 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| N2 | C4 | doub | 1.34Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| F6 | C33 | sing | 1.40Å | 1.30Å | |
| C4 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | O3 | doub | 1.21Å | 1.21Å | |
| C8 | F2 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C33 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| F4 | C33 | sing | 1.40Å | 1.33Å | |
| C7 | C9 | sing | 1.48Å | 1.48Å | |
| C33 | F5 | sing | 1.40Å | 1.33Å | |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | F1 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C16 | C15 | 130.6° | 124.5° |
| N3 | C16 | S1 | 118.8° | 124.6° |
| C16 | N3 | H1 | 109.5° | 120.0° |
| C16 | N3 | H2 | 109.5° | 120.0° |
| C25 | C26 | N5 | 103.8° | 104.7° |
| C26 | C25 | C24 | 103.1° | 101.6° |
| C25 | C26 | H12 | 110.9° | 110.3° |
| C25 | C26 | H13 | 110.9° | 110.4° |
| C26 | C25 | H22 | 111.0° | 111.0° |
| C26 | C25 | H23 | 111.0° | 111.1° |
| C26 | N5 | C21 | 116.1° | 109.7° |
| C26 | N5 | C20 | 109.4° | 107.4° |
| N5 | C26 | H12 | 110.9° | 110.1° |
| N5 | C26 | H13 | 110.9° | 110.8° |
| N7 | C34 | C15 | 179.9° | 179.9° |
| C28 | C27 | C18 | 103.1° | 103.0° |
| C27 | C28 | N6 | 102.9° | 107.2° |
| C27 | C28 | H14 | 111.1° | 109.8° |
| C27 | C28 | H15 | 111.1° | 110.0° |
| C28 | C27 | H24 | 111.0° | 110.7° |
| C28 | C27 | H25 | 111.0° | 110.7° |
| C27 | C18 | N4 | 111.2° | 111.0° |
| C27 | C18 | C29 | 103.0° | 101.6° |
| C27 | C18 | H17 | 108.4° | 111.1° |
| C18 | C27 | H24 | 111.1° | 110.7° |
| C18 | C27 | H25 | 111.1° | 110.7° |
| C34 | C15 | C16 | 121.8° | 123.1° |
| C34 | C15 | C10 | 124.3° | 123.2° |
| C25 | C24 | C20 | 104.5° | 103.2° |
| C25 | C24 | H10 | 110.7° | 110.6° |
| C25 | C24 | H11 | 110.7° | 110.8° |
| C24 | C25 | H22 | 111.0° | 111.4° |
| C24 | C25 | H23 | 111.1° | 110.6° |
| C15 | C16 | S1 | 110.5° | 110.9° |
| C16 | C15 | C10 | 113.8° | 113.8° |
| C16 | S1 | C11 | 93.5° | 92.6° |
| C21 | N5 | C20 | 109.1° | 109.4° |
| N5 | C21 | C22 | 103.8° | 103.3° |
| N5 | C21 | H7 | 110.9° | 110.5° |
| N5 | C21 | H8 | 110.9° | 111.9° |
| N5 | C20 | C24 | 104.5° | 108.0° |
| N5 | C20 | C17 | 112.6° | 110.8° |
| N5 | C20 | C23 | 105.6° | 107.2° |
| C28 | N6 | C29 | 112.4° | 108.7° |
| C28 | N6 | C30 | 124.9° | 125.6° |
| N6 | C28 | H14 | 111.1° | 109.9° |
| N6 | C28 | H15 | 111.1° | 109.9° |
| C15 | C10 | C11 | 110.9° | 112.2° |
| C15 | C10 | C9 | 130.5° | 128.8° |
| C21 | C22 | F3 | 111.0° | 111.0° |
| C21 | C22 | C23 | 104.6° | 101.6° |
| C22 | C21 | H7 | 110.8° | 110.3° |
| C22 | C21 | H8 | 110.9° | 110.3° |
| C21 | C22 | H9 | 110.2° | 111.0° |
| N4 | C19 | C31 | 119.4° | 109.5° |
| C19 | N4 | C18 | 113.6° | 111.0° |
| C19 | N4 | C2 | 122.7° | 111.1° |
| N4 | C19 | H18 | 106.9° | 109.5° |
| N4 | C19 | H19 | 106.9° | 109.4° |
| C31 | C19 | H18 | 106.9° | 109.5° |
| C31 | C19 | H19 | 106.9° | 109.5° |
| C19 | C31 | H28 | 109.5° | 109.5° |
| C19 | C31 | H29 | 109.5° | 109.4° |
| C19 | C31 | H30 | 109.5° | 109.5° |
| C24 | C20 | C17 | 109.6° | 110.7° |
| C24 | C20 | C23 | 114.3° | 109.1° |
| C20 | C24 | H10 | 110.7° | 110.7° |
| C20 | C24 | H11 | 110.7° | 110.7° |
| N4 | C18 | C29 | 116.0° | 110.9° |
| C18 | N4 | C2 | 123.2° | 111.0° |
| N4 | C18 | H17 | 109.2° | 110.9° |
| C18 | C29 | N6 | 103.4° | 104.8° |
| C29 | C18 | H17 | 108.6° | 111.0° |
| C18 | C29 | H26 | 111.0° | 110.4° |
| C18 | C29 | H27 | 111.0° | 110.4° |
| N4 | C2 | N1 | 115.6° | 120.8° |
| N4 | C2 | C3 | 124.9° | 120.9° |
| C17 | C20 | C23 | 110.2° | 110.8° |
| C20 | C17 | O1 | 105.4° | 109.5° |
| C20 | C17 | H5 | 110.5° | 109.4° |
| C20 | C17 | H6 | 110.5° | 109.4° |
| C20 | C23 | C22 | 105.6° | 103.0° |
| C20 | C23 | H20 | 110.4° | 110.7° |
| C20 | C23 | H21 | 110.4° | 110.7° |
| S1 | C11 | C10 | 111.2° | 110.5° |
| S1 | C11 | C12 | 127.0° | 129.8° |
| C17 | O1 | C1 | 117.0° | 117.0° |
| O1 | C17 | H5 | 110.5° | 109.5° |
| O1 | C17 | H6 | 110.5° | 109.5° |
| C2 | N1 | C1 | 119.5° | 121.5° |
| N1 | C2 | C3 | 119.5° | 118.3° |
| N1 | C1 | O1 | 118.2° | 118.7° |
| N1 | C1 | N2 | 125.9° | 122.8° |
| O1 | C1 | N2 | 115.6° | 118.6° |
| C2 | C3 | C4 | 115.8° | 118.2° |
| C2 | C3 | C5 | 126.0° | 121.8° |
| C1 | N2 | C4 | 117.1° | 120.4° |
| C32 | O2 | C30 | 114.7° | 117.0° |
| O2 | C32 | H31 | 109.5° | 109.4° |
| O2 | C32 | H32 | 109.5° | 109.5° |
| O2 | C32 | H33 | 109.4° | 109.5° |
| O2 | C30 | N6 | 111.0° | 120.0° |
| O2 | C30 | O3 | 125.1° | 120.0° |
| C29 | N6 | C30 | 122.7° | 125.7° |
| N6 | C29 | H26 | 110.9° | 110.3° |
| N6 | C29 | H27 | 111.0° | 110.5° |
| N6 | C30 | O3 | 123.9° | 120.0° |
| F3 | C22 | C23 | 108.6° | 111.0° |
| F3 | C22 | H9 | 112.2° | 110.9° |
| C4 | C3 | C5 | 118.2° | 120.0° |
| C3 | C4 | N2 | 121.9° | 118.8° |
| C3 | C4 | C8 | 119.3° | 119.4° |
| C3 | C5 | C6 | 122.2° | 119.9° |
| C3 | C5 | H3 | 118.9° | 120.1° |
| N2 | C4 | C8 | 118.7° | 121.8° |
| C23 | C22 | H9 | 110.0° | 111.0° |
| C22 | C23 | H20 | 110.4° | 110.7° |
| C22 | C23 | H21 | 110.4° | 110.7° |
| F6 | C33 | C6 | 113.5° | 109.5° |
| F6 | C33 | F4 | 111.6° | 109.5° |
| F6 | C33 | F5 | 104.9° | 109.4° |
| C4 | C8 | F2 | 118.1° | 120.3° |
| C4 | C8 | C7 | 121.0° | 119.4° |
| C11 | C10 | C9 | 118.6° | 119.0° |
| C10 | C11 | C12 | 121.9° | 119.7° |
| C10 | C9 | C7 | 122.1° | 119.9° |
| C10 | C9 | C14 | 117.6° | 120.2° |
| C5 | C6 | C7 | 119.9° | 120.8° |
| C5 | C6 | C33 | 119.0° | 119.6° |
| C6 | C5 | H3 | 118.9° | 120.0° |
| F2 | C8 | C7 | 120.8° | 120.3° |
| C8 | C7 | C6 | 119.3° | 120.6° |
| C8 | C7 | C9 | 118.0° | 119.7° |
| C7 | C6 | C33 | 121.0° | 119.6° |
| C6 | C7 | C9 | 122.6° | 119.7° |
| C6 | C33 | F4 | 113.3° | 109.4° |
| C6 | C33 | F5 | 111.7° | 109.5° |
| C11 | C12 | F1 | 120.1° | 119.7° |
| C11 | C12 | C13 | 119.2° | 120.7° |
| F4 | C33 | F5 | 100.8° | 109.5° |
| C7 | C9 | C14 | 120.3° | 119.9° |
| C9 | C14 | C13 | 122.4° | 120.2° |
| C9 | C14 | H16 | 118.8° | 119.9° |
| F1 | C12 | C13 | 120.7° | 119.6° |
| C12 | C13 | C14 | 120.4° | 120.2° |
| C12 | C13 | H4 | 119.8° | 119.9° |
| C14 | C13 | H4 | 119.8° | 119.9° |
| C13 | C14 | H16 | 118.8° | 119.9° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 110.3° |
| H10 | C24 | H11 | 109.5° | 110.6° |
| H12 | C26 | H13 | 109.5° | 110.4° |
| H14 | C28 | H15 | 109.5° | 109.9° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 110.8° |
| H22 | C25 | H23 | 109.5° | 110.9° |
| H24 | C27 | H25 | 109.5° | 110.8° |
| H26 | C29 | H27 | 109.5° | 110.3° |
| H28 | C31 | H29 | 109.4° | 109.4° |
| H28 | C31 | H30 | 109.5° | 109.5° |
| H29 | C31 | H30 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.4° | 109.5° |
| H31 | C32 | H33 | 109.5° | 109.4° |
| H32 | C32 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C16 | C15 | C34 | 2.1° | 0.0° |
| N3 | C16 | C15 | S1 | 179.0° | 179.8° |
| N3 | C16 | C15 | C10 | 178.9° | 180.0° |
| N3 | C16 | S1 | C11 | 179.2° | 179.9° |
| C16 | N3 | H1 | H2 | 120.0° | 179.9° |
| C25 | C26 | N5 | H12 | 119.1° | 118.6° |
| C25 | C26 | N5 | H13 | 119.1° | 119.0° |
| C26 | C25 | C24 | H22 | 119.0° | 118.3° |
| C26 | C25 | C24 | H23 | 119.0° | 118.0° |
| C25 | C26 | N5 | C21 | 104.2° | 92.7° |
| C25 | C26 | N5 | C20 | 19.8° | 26.0° |
| C26 | C25 | C24 | C20 | 38.0° | 35.3° |
| C26 | C25 | C24 | H10 | 81.2° | 153.8° |
| C26 | C25 | C24 | H11 | 157.2° | 83.2° |
| C25 | C26 | H12 | H13 | 122.6° | 122.3° |
| C26 | C25 | H22 | H23 | 122.9° | 123.9° |
| N5 | C26 | C25 | C24 | 35.4° | 38.1° |
| C26 | N5 | C21 | C20 | 124.2° | 117.5° |
| C26 | N5 | C21 | C22 | 96.2° | 142.2° |
| C26 | N5 | C20 | C24 | 3.5° | 3.2° |
| C26 | N5 | C20 | C17 | 122.4° | 118.3° |
| C26 | N5 | C20 | C23 | 117.3° | 120.6° |
| C26 | N5 | C21 | H7 | 22.8° | 99.7° |
| C26 | N5 | C21 | H8 | 144.7° | 23.6° |
| N5 | C26 | H12 | H13 | 122.7° | 122.6° |
| N5 | C26 | C25 | H22 | 154.3° | 80.4° |
| N5 | C26 | C25 | H23 | 83.6° | 155.7° |
| N7 | C34 | C15 | C16 | 75.8° | 132.5° |
| N7 | C34 | C15 | C10 | 100.6° | 47.5° |
| C28 | C27 | C18 | H24 | 119.0° | 118.3° |
| C28 | C27 | C18 | H25 | 119.0° | 118.3° |
| C27 | C28 | N6 | H14 | 118.9° | 119.3° |
| C27 | C28 | N6 | H15 | 118.9° | 119.6° |
| C28 | C27 | C18 | N4 | 163.8° | 153.5° |
| C28 | C27 | C18 | C29 | 38.8° | 35.5° |
| C27 | C28 | N6 | C29 | 18.9° | 1.1° |
| C27 | C28 | N6 | C30 | 163.1° | 178.9° |
| C27 | C28 | H14 | H15 | 123.1° | 121.2° |
| C28 | C27 | C18 | H17 | 76.1° | 82.6° |
| C28 | C27 | H24 | H25 | 122.9° | 123.2° |
| C18 | C27 | C28 | N6 | 35.0° | 22.2° |
| C27 | C18 | N4 | C19 | 97.8° | 63.9° |
| C27 | C18 | N4 | C29 | 117.3° | 112.2° |
| C27 | C18 | N4 | H17 | 119.6° | 124.0° |
| C27 | C18 | C29 | H17 | 114.9° | 118.2° |
| C27 | C18 | N4 | C2 | 74.0° | 172.1° |
| C27 | C18 | C29 | N6 | 27.0° | 37.0° |
| C18 | C27 | C28 | H14 | 83.9° | 97.2° |
| C18 | C27 | C28 | H15 | 153.9° | 141.7° |
| C18 | C27 | H24 | H25 | 123.0° | 123.3° |
| C27 | C18 | C29 | H26 | 92.0° | 81.8° |
| C27 | C18 | C29 | H27 | 146.0° | 156.0° |
| C34 | C15 | C16 | C10 | 176.8° | 180.0° |
| C34 | C15 | C16 | S1 | 178.9° | 179.8° |
| C34 | C15 | C10 | C11 | 178.3° | 180.0° |
| C34 | C15 | C10 | C9 | 3.2° | 0.3° |
| C25 | C24 | C20 | N5 | 25.7° | 20.7° |
| C25 | C24 | C20 | H10 | 119.2° | 118.4° |
| C25 | C24 | C20 | H11 | 119.2° | 118.6° |
| C25 | C24 | C20 | C17 | 146.7° | 142.3° |
| C25 | C24 | C20 | C23 | 89.1° | 95.5° |
| C25 | C24 | H10 | H11 | 122.3° | 123.2° |
| C24 | C25 | C26 | H12 | 154.5° | 156.5° |
| C24 | C25 | C26 | H13 | 83.7° | 81.2° |
| C24 | C25 | H22 | H23 | 123.0° | 123.6° |
| C15 | C16 | S1 | C11 | 1.6° | 0.3° |
| C16 | C15 | C10 | C11 | 1.7° | 0.0° |
| C16 | C15 | C10 | C9 | 179.8° | 179.7° |
| C15 | C16 | N3 | H1 | 178.9° | 0.0° |
| C15 | C16 | N3 | H2 | 58.9° | 180.0° |
| S1 | C16 | C15 | C10 | 2.1° | 0.2° |
| C16 | S1 | C11 | C10 | 0.7° | 0.3° |
| C16 | S1 | C11 | C12 | 179.6° | 179.7° |
| S1 | C16 | N3 | H1 | 0.0° | 179.8° |
| S1 | C16 | N3 | H2 | 120.0° | 0.3° |
| N5 | C21 | C22 | H7 | 119.1° | 118.2° |
| N5 | C21 | C22 | H8 | 119.1° | 119.7° |
| C21 | N5 | C20 | C24 | 131.5° | 115.8° |
| C21 | N5 | C20 | C17 | 109.6° | 122.7° |
| C21 | N5 | C20 | C23 | 10.7° | 1.7° |
| N5 | C21 | C22 | F3 | 83.0° | 155.9° |
| N5 | C21 | C22 | C23 | 33.8° | 37.8° |
| N5 | C21 | H7 | H8 | 122.6° | 124.2° |
| N5 | C21 | C22 | H9 | 152.0° | 80.3° |
| C21 | N5 | C26 | H12 | 14.9° | 25.9° |
| C21 | N5 | C26 | H13 | 136.7° | 148.3° |
| C20 | N5 | C21 | C22 | 27.9° | 24.7° |
| N5 | C20 | C24 | C17 | 120.9° | 121.6° |
| N5 | C20 | C24 | C23 | 114.9° | 116.2° |
| N5 | C20 | C17 | C23 | 117.6° | 119.0° |
| N5 | C20 | C17 | O1 | 54.0° | 179.9° |
| N5 | C20 | C23 | C22 | 10.7° | 22.6° |
| N5 | C20 | C17 | H5 | 65.4° | 59.9° |
| N5 | C20 | C17 | H6 | 173.3° | 60.0° |
| C20 | N5 | C21 | H7 | 147.0° | 142.8° |
| C20 | N5 | C21 | H8 | 91.2° | 93.9° |
| N5 | C20 | C24 | H10 | 93.5° | 139.1° |
| N5 | C20 | C24 | H11 | 145.0° | 97.9° |
| C20 | N5 | C26 | H12 | 138.9° | 144.6° |
| C20 | N5 | C26 | H13 | 99.3° | 92.9° |
| N5 | C20 | C23 | H20 | 108.7° | 141.0° |
| N5 | C20 | C23 | H21 | 130.1° | 95.8° |
| C28 | N6 | C29 | C18 | 5.5° | 24.1° |
| C28 | N6 | C30 | O2 | 3.6° | 0.1° |
| C28 | N6 | C29 | C30 | 178.1° | 179.9° |
| C28 | N6 | C30 | O3 | 174.0° | 180.0° |
| N6 | C28 | H14 | H15 | 123.1° | 121.1° |
| N6 | C28 | C27 | H24 | 84.0° | 96.2° |
| N6 | C28 | C27 | H25 | 154.0° | 140.5° |
| C28 | N6 | C29 | H26 | 113.6° | 94.7° |
| C28 | N6 | C29 | H27 | 124.5° | 143.0° |
| C15 | C10 | C11 | S1 | 0.4° | 0.2° |
| C15 | C10 | C11 | C9 | 178.7° | 179.8° |
| C15 | C10 | C11 | C12 | 179.3° | 179.8° |
| C15 | C10 | C9 | C7 | 0.6° | 0.3° |
| C15 | C10 | C9 | C14 | 178.7° | 179.7° |
| C21 | C22 | C23 | C20 | 27.6° | 36.4° |
| C21 | C22 | F3 | C23 | 114.4° | 112.3° |
| C21 | C22 | F3 | H9 | 123.8° | 123.8° |
| C21 | C22 | C23 | H9 | 118.3° | 118.1° |
| C22 | C21 | H7 | H8 | 122.6° | 122.1° |
| C21 | C22 | C23 | H20 | 91.8° | 154.7° |
| C21 | C22 | C23 | H21 | 147.0° | 81.9° |
| N4 | C19 | C31 | H18 | 121.4° | 120.0° |
| N4 | C19 | C31 | H19 | 121.4° | 120.0° |
| C19 | N4 | C18 | C2 | 171.8° | 124.0° |
| C19 | N4 | C18 | C29 | 144.9° | 48.3° |
| C19 | N4 | C2 | N1 | 151.8° | 58.1° |
| C19 | N4 | C2 | C3 | 27.1° | 121.8° |
| C19 | N4 | C18 | H17 | 21.8° | 172.2° |
| N4 | C19 | H18 | H19 | 115.5° | 120.0° |
| N4 | C19 | C31 | H28 | 180.0° | 174.6° |
| N4 | C19 | C31 | H29 | 60.0° | 54.7° |
| N4 | C19 | C31 | H30 | 60.0° | 65.3° |
| C31 | C19 | N4 | C18 | 74.5° | 164.5° |
| C31 | C19 | N4 | C2 | 113.7° | 71.5° |
| C31 | C19 | H18 | H19 | 115.5° | 120.0° |
| C19 | C31 | H28 | H29 | 120.0° | 119.9° |
| C19 | C31 | H28 | H30 | 120.0° | 120.0° |
| C19 | C31 | H29 | H30 | 120.0° | 120.0° |
| C24 | C20 | C17 | C23 | 126.5° | 121.2° |
| C24 | C20 | C17 | O1 | 169.8° | 60.2° |
| C24 | C20 | C23 | C22 | 103.5° | 139.3° |
| C24 | C20 | C17 | H5 | 50.5° | 179.8° |
| C24 | C20 | C17 | H6 | 70.8° | 59.9° |
| C20 | C24 | H10 | H11 | 122.3° | 123.1° |
| C24 | C20 | C23 | H20 | 137.1° | 102.3° |
| C24 | C20 | C23 | H21 | 15.9° | 21.0° |
| C20 | C24 | C25 | H22 | 157.0° | 83.0° |
| C20 | C24 | C25 | H23 | 81.0° | 153.3° |
| N4 | C18 | C29 | H17 | 123.4° | 123.8° |
| C18 | N4 | C2 | N1 | 19.3° | 65.9° |
| C18 | N4 | C2 | C3 | 161.8° | 114.2° |
| N4 | C18 | C29 | N6 | 148.7° | 155.1° |
| C18 | N4 | C19 | H18 | 164.1° | 44.5° |
| C18 | N4 | C19 | H19 | 46.9° | 75.5° |
| N4 | C18 | C27 | H24 | 44.8° | 35.2° |
| N4 | C18 | C27 | H25 | 77.3° | 88.1° |
| N4 | C18 | C29 | H26 | 29.7° | 36.3° |
| N4 | C18 | C29 | H27 | 92.2° | 85.9° |
| C29 | C18 | N4 | C2 | 43.3° | 75.7° |
| C18 | C29 | N6 | H26 | 119.0° | 118.8° |
| C18 | C29 | N6 | H27 | 119.0° | 118.9° |
| C18 | C29 | N6 | C30 | 172.6° | 155.8° |
| C29 | C18 | C27 | H24 | 80.1° | 82.8° |
| C29 | C18 | C27 | H25 | 157.8° | 153.8° |
| C18 | C29 | H26 | H27 | 122.8° | 122.3° |
| N4 | C2 | N1 | C3 | 179.0° | 179.9° |
| N4 | C2 | N1 | C1 | 174.7° | 180.0° |
| N4 | C2 | C3 | C4 | 176.9° | 180.0° |
| N4 | C2 | C3 | C5 | 4.5° | 0.1° |
| C2 | N4 | C18 | H17 | 166.4° | 48.1° |
| C2 | N4 | C19 | H18 | 7.7° | 168.5° |
| C2 | N4 | C19 | H19 | 125.0° | 48.5° |
| C20 | C17 | O1 | H5 | 119.3° | 119.9° |
| C20 | C17 | O1 | H6 | 119.3° | 120.0° |
| C20 | C17 | O1 | C1 | 179.6° | 180.0° |
| C17 | C20 | C23 | C22 | 132.6° | 98.5° |
| C20 | C17 | H5 | H6 | 121.9° | 119.9° |
| C17 | C20 | C24 | H10 | 27.5° | 99.3° |
| C17 | C20 | C24 | H11 | 94.1° | 23.7° |
| C17 | C20 | C23 | H20 | 13.2° | 19.9° |
| C17 | C20 | C23 | H21 | 108.0° | 143.1° |
| C23 | C20 | C17 | O1 | 63.6° | 61.0° |
| C20 | C23 | C22 | F3 | 90.9° | 154.5° |
| C20 | C23 | C22 | H20 | 119.4° | 118.4° |
| C20 | C23 | C22 | H21 | 119.4° | 118.3° |
| C23 | C20 | C17 | H5 | 177.0° | 59.0° |
| C23 | C20 | C17 | H6 | 55.7° | 179.0° |
| C20 | C23 | C22 | H9 | 145.9° | 81.7° |
| C23 | C20 | C24 | H10 | 151.6° | 22.9° |
| C23 | C20 | C24 | H11 | 30.1° | 145.9° |
| C20 | C23 | H20 | H21 | 121.8° | 123.2° |
| S1 | C11 | C10 | C12 | 179.7° | 180.0° |
| S1 | C11 | C10 | C9 | 179.1° | 180.0° |
| S1 | C11 | C12 | F1 | 1.1° | 0.0° |
| S1 | C11 | C12 | C13 | 179.9° | 180.0° |
| C17 | O1 | C1 | N1 | 8.7° | 179.9° |
| C17 | O1 | C1 | N2 | 165.5° | 0.0° |
| O1 | C17 | H5 | H6 | 121.9° | 120.1° |
| C2 | N1 | C1 | O1 | 178.8° | 180.0° |
| C2 | N1 | C1 | N2 | 5.3° | 0.1° |
| N1 | C2 | C3 | C4 | 2.0° | 0.0° |
| N1 | C2 | C3 | C5 | 176.6° | 180.0° |
| N1 | C1 | O1 | N2 | 174.2° | 179.9° |
| C1 | N1 | C2 | C3 | 4.3° | 0.1° |
| N1 | C1 | N2 | C4 | 3.4° | 0.1° |
| O1 | C1 | N2 | C4 | 177.1° | 180.0° |
| C1 | O1 | C17 | H5 | 61.1° | 60.0° |
| C1 | O1 | C17 | H6 | 60.3° | 60.0° |
| C2 | C3 | C4 | C5 | 178.7° | 180.0° |
| C2 | C3 | C4 | N2 | 0.2° | 0.0° |
| C2 | C3 | C4 | C8 | 179.8° | 179.9° |
| C2 | C3 | C5 | C6 | 179.3° | 180.0° |
| C2 | C3 | C5 | H3 | 0.7° | 0.1° |
| C1 | N2 | C4 | C3 | 0.8° | 0.0° |
| C1 | N2 | C4 | C8 | 179.6° | 179.9° |
| C32 | O2 | C30 | N6 | 178.6° | 180.0° |
| C32 | O2 | C30 | O3 | 1.0° | 0.1° |
| O2 | C32 | H31 | H32 | 120.0° | 120.0° |
| O2 | C32 | H31 | H33 | 120.0° | 119.9° |
| O2 | C32 | H32 | H33 | 120.0° | 120.0° |
| O2 | C30 | N6 | C29 | 178.6° | 180.0° |
| O2 | C30 | N6 | O3 | 177.6° | 179.9° |
| C30 | O2 | C32 | H31 | 180.0° | 60.1° |
| C30 | O2 | C32 | H32 | 60.0° | 60.0° |
| C30 | O2 | C32 | H33 | 60.0° | 180.0° |
| C29 | N6 | C30 | O3 | 3.8° | 0.1° |
| C29 | N6 | C28 | H14 | 100.0° | 120.4° |
| C29 | N6 | C28 | H15 | 137.8° | 118.5° |
| N6 | C29 | C18 | H17 | 87.9° | 81.1° |
| N6 | C29 | H26 | H27 | 122.8° | 122.3° |
| C30 | N6 | C28 | H14 | 78.0° | 59.5° |
| C30 | N6 | C28 | H15 | 44.2° | 61.6° |
| C30 | N6 | C29 | H26 | 68.4° | 85.4° |
| C30 | N6 | C29 | H27 | 53.6° | 36.9° |
| F3 | C22 | C23 | H9 | 123.1° | 123.8° |
| F3 | C22 | C21 | H7 | 36.0° | 85.9° |
| F3 | C22 | C21 | H8 | 157.8° | 36.2° |
| F3 | C22 | C23 | H20 | 149.7° | 87.2° |
| F3 | C22 | C23 | H21 | 28.5° | 36.2° |
| C3 | C4 | N2 | C8 | 179.6° | 180.0° |
| C4 | C3 | C5 | C6 | 2.2° | 0.1° |
| C3 | C4 | C8 | F2 | 179.1° | 180.0° |
| C3 | C4 | C8 | C7 | 0.8° | 0.1° |
| C4 | C3 | C5 | H3 | 177.8° | 180.0° |
| C5 | C3 | C4 | N2 | 178.4° | 180.0° |
| C5 | C3 | C4 | C8 | 1.1° | 0.0° |
| C3 | C5 | C6 | H3 | 180.0° | 179.9° |
| C3 | C5 | C6 | C7 | 2.8° | 0.1° |
| C3 | C5 | C6 | C33 | 179.2° | 180.0° |
| N2 | C4 | C8 | F2 | 1.3° | 0.0° |
| N2 | C4 | C8 | C7 | 178.8° | 179.9° |
| C23 | C22 | C21 | H7 | 152.9° | 155.9° |
| C23 | C22 | C21 | H8 | 85.3° | 81.9° |
| C22 | C23 | H20 | H21 | 121.8° | 123.3° |
| F6 | C33 | C6 | C5 | 126.8° | 119.9° |
| F6 | C33 | C6 | C7 | 56.9° | 60.0° |
| F6 | C33 | C6 | F4 | 128.6° | 120.0° |
| F6 | C33 | C6 | F5 | 118.3° | 120.0° |
| F6 | C33 | F4 | F5 | 110.9° | 120.0° |
| C4 | C8 | F2 | C7 | 179.9° | 179.9° |
| C4 | C8 | C7 | C6 | 1.4° | 0.1° |
| C4 | C8 | C7 | C9 | 178.4° | 180.0° |
| C11 | C10 | C9 | C7 | 179.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.0° |
| C10 | C11 | C12 | F1 | 179.3° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C9 | C7 | C8 | 89.7° | 90.0° |
| C10 | C9 | C7 | C6 | 87.2° | 90.0° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C9 | C7 | C14 | 179.3° | 180.0° |
| C10 | C9 | C14 | C13 | 0.8° | 0.0° |
| C10 | C9 | C14 | H16 | 179.2° | 180.0° |
| C5 | C6 | C7 | C8 | 2.4° | 0.0° |
| C5 | C6 | C7 | C33 | 176.3° | 179.9° |
| C5 | C6 | C33 | F4 | 1.8° | 120.0° |
| C5 | C6 | C7 | C9 | 179.2° | 179.9° |
| C5 | C6 | C33 | F5 | 114.9° | 0.1° |
| F2 | C8 | C7 | C6 | 178.5° | 180.0° |
| F2 | C8 | C7 | C9 | 1.6° | 0.1° |
| C8 | C7 | C6 | C9 | 176.8° | 180.0° |
| C8 | C7 | C6 | C33 | 178.7° | 180.0° |
| C8 | C7 | C9 | C14 | 89.6° | 90.0° |
| C7 | C6 | C33 | F4 | 174.4° | 60.0° |
| C7 | C6 | C33 | F5 | 61.4° | 180.0° |
| C6 | C7 | C9 | C14 | 93.6° | 90.0° |
| C7 | C6 | C5 | H3 | 177.2° | 180.0° |
| C6 | C33 | F4 | F5 | 119.5° | 120.0° |
| C33 | C6 | C7 | C9 | 4.5° | 0.0° |
| C33 | C6 | C5 | H3 | 0.8° | 0.1° |
| C11 | C12 | F1 | C13 | 179.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.4° | 0.0° |
| C11 | C12 | C13 | H4 | 178.6° | 180.0° |
| C7 | C9 | C14 | C13 | 179.9° | 180.0° |
| C7 | C9 | C14 | H16 | 0.1° | 0.1° |
| C9 | C14 | C13 | C12 | 1.7° | 0.0° |
| C9 | C14 | C13 | H16 | 180.0° | 180.0° |
| C9 | C14 | C13 | H4 | 178.3° | 180.0° |
| F1 | C12 | C13 | C14 | 179.6° | 180.0° |
| F1 | C12 | C13 | H4 | 0.4° | 0.0° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | H16 | 178.3° | 180.0° |
| H4 | C13 | C14 | H16 | 1.7° | 0.0° |
| H7 | C21 | C22 | H9 | 88.9° | 37.8° |
| H8 | C21 | C22 | H9 | 32.9° | 160.0° |
| H9 | C22 | C23 | H20 | 26.6° | 36.7° |
| H9 | C22 | C23 | H21 | 94.7° | 160.0° |
| H10 | C24 | C25 | H22 | 37.8° | 35.4° |
| H10 | C24 | C25 | H23 | 159.8° | 88.3° |
| H11 | C24 | C25 | H22 | 83.8° | 158.5° |
| H11 | C24 | C25 | H23 | 38.2° | 34.7° |
| H12 | C26 | C25 | H22 | 86.6° | 38.0° |
| H12 | C26 | C25 | H23 | 35.5° | 85.9° |
| H13 | C26 | C25 | H22 | 35.2° | 160.3° |
| H13 | C26 | C25 | H23 | 157.3° | 36.5° |
| H14 | C28 | C27 | H24 | 157.1° | 144.5° |
| H14 | C28 | C27 | H25 | 35.1° | 21.2° |
| H15 | C28 | C27 | H24 | 34.9° | 23.4° |
| H15 | C28 | C27 | H25 | 87.1° | 99.9° |
| H17 | C18 | C27 | H24 | 164.9° | 159.1° |
| H17 | C18 | C27 | H25 | 42.8° | 35.7° |
| H17 | C18 | C29 | H26 | 153.1° | 160.1° |
| H17 | C18 | C29 | H27 | 31.1° | 37.8° |
| H18 | C19 | C31 | H28 | 58.6° | 54.6° |
| H18 | C19 | C31 | H29 | 178.6° | 65.4° |
| H18 | C19 | C31 | H30 | 61.4° | 174.6° |
| H19 | C19 | C31 | H28 | 58.6° | 65.5° |
| H19 | C19 | C31 | H29 | 61.4° | 174.6° |
| H19 | C19 | C31 | H30 | 178.7° | 54.6° |
| H28 | C31 | H29 | H30 | 120.0° | 120.1° |
| H31 | C32 | H32 | H33 | 120.0° | 120.0° |
