4T4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C36 | doub | 1.21Å | 1.23Å | |
| C1 | N4 | sing | 1.47Å | 1.43Å | |
| C36 | N4 | sing | 1.34Å | 1.38Å | |
| C36 | C37 | sing | 1.50Å | 1.51Å | |
| N4 | C35 | sing | 1.46Å | 1.47Å | |
| O3 | C14 | doub | 1.21Å | 1.22Å | |
| C37 | N3 | sing | 1.47Å | 1.49Å | |
| C15 | C14 | sing | 1.50Å | 1.51Å | |
| C15 | C16 | sing | 1.50Å | 1.54Å | |
| C14 | N1 | sing | 1.33Å | 1.36Å | |
| C35 | C34 | sing | 1.53Å | 1.56Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| N3 | C34 | sing | 1.47Å | 1.50Å | |
| N3 | C31 | sing | 1.47Å | 1.51Å | |
| C21 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C4 | sing | 1.40Å | 1.41Å | |
| N1 | C13 | sing | 1.45Å | 1.48Å | |
| C33 | C11 | sing | 1.53Å | 1.56Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| C22 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C2 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | N2 | sing | 1.40Å | 1.35Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | N2 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O1 | sing | 1.36Å | 1.40Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C17 | C13 | sing | 1.50Å | 1.53Å | |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C24 | sing | 1.51Å | 1.55Å | |
| C30 | C12 | sing | 1.53Å | 1.57Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C2 | CL1 | sing | 1.74Å | 1.76Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | O2 | sing | 1.36Å | 1.41Å | |
| C23 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| O2 | C27 | sing | 1.43Å | 1.45Å | |
| C27 | C29 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C35 | H42 | sing | 1.09Å | 1.10Å | |
| C35 | H43 | sing | 1.09Å | 1.10Å | |
| C37 | H44 | sing | 1.09Å | 1.10Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | H46 | sing | 1.09Å | 1.10Å | |
| C38 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C36 | N4 | 124.3° | 118.6° |
| O4 | C36 | C37 | 115.1° | 118.7° |
| C1 | N4 | C36 | 119.6° | 118.5° |
| C1 | N4 | C35 | 116.5° | 118.6° |
| N4 | C1 | H1 | 109.5° | 109.5° |
| N4 | C1 | H2 | 109.5° | 109.5° |
| N4 | C1 | H3 | 109.5° | 109.4° |
| N4 | C36 | C37 | 120.6° | 122.7° |
| C36 | N4 | C35 | 123.9° | 122.9° |
| C36 | C37 | N3 | 113.6° | 110.0° |
| C36 | C37 | H44 | 108.4° | 109.4° |
| C36 | C37 | H45 | 108.4° | 109.4° |
| N4 | C35 | C34 | 110.9° | 110.1° |
| N4 | C35 | H42 | 109.1° | 109.3° |
| N4 | C35 | H43 | 109.2° | 109.2° |
| O3 | C14 | C15 | 117.4° | 118.6° |
| O3 | C14 | N1 | 120.4° | 118.6° |
| C37 | N3 | C34 | 110.9° | 110.2° |
| C37 | N3 | C31 | 117.0° | 111.1° |
| N3 | C37 | H44 | 108.4° | 109.3° |
| N3 | C37 | H45 | 108.4° | 109.4° |
| C14 | C15 | C16 | 112.7° | 111.1° |
| C15 | C14 | N1 | 122.2° | 122.9° |
| C14 | C15 | H15 | 108.7° | 109.2° |
| C14 | C15 | H16 | 108.6° | 109.1° |
| C15 | C16 | C21 | 120.5° | 118.5° |
| C15 | C16 | C17 | 120.9° | 121.4° |
| C16 | C15 | H15 | 108.7° | 109.2° |
| C16 | C15 | H16 | 108.7° | 109.1° |
| C14 | N1 | C4 | 125.1° | 118.2° |
| C14 | N1 | C13 | 123.6° | 123.5° |
| C35 | C34 | N3 | 108.9° | 108.8° |
| C35 | C34 | H40 | 109.6° | 109.6° |
| C35 | C34 | H41 | 109.6° | 109.7° |
| C34 | C35 | H42 | 109.1° | 109.4° |
| C34 | C35 | H43 | 109.1° | 109.4° |
| C33 | C32 | C31 | 109.1° | 109.5° |
| C32 | C33 | C11 | 111.2° | 109.5° |
| C33 | C32 | H35 | 109.6° | 109.5° |
| C33 | C32 | H36 | 109.6° | 109.5° |
| C32 | C33 | H37 | 109.0° | 109.5° |
| C32 | C33 | H38 | 109.0° | 109.4° |
| C32 | C31 | N3 | 113.7° | 109.5° |
| C32 | C31 | C30 | 108.5° | 109.5° |
| C32 | C31 | H34 | 106.4° | 109.5° |
| C31 | C32 | H35 | 109.5° | 109.5° |
| C31 | C32 | H36 | 109.6° | 109.4° |
| C34 | N3 | C31 | 120.1° | 111.0° |
| N3 | C34 | H40 | 109.6° | 109.6° |
| N3 | C34 | H41 | 109.6° | 109.6° |
| N3 | C31 | C30 | 114.4° | 109.5° |
| N3 | C31 | H34 | 107.0° | 109.5° |
| C16 | C21 | C20 | 119.4° | 120.3° |
| C21 | C16 | C17 | 118.7° | 120.0° |
| C16 | C21 | H18 | 120.3° | 119.9° |
| C21 | C20 | O1 | 125.1° | 120.2° |
| C21 | C20 | C19 | 121.0° | 119.7° |
| C20 | C21 | H18 | 120.3° | 119.8° |
| C16 | C17 | C13 | 120.9° | 121.7° |
| C16 | C17 | C18 | 121.8° | 119.8° |
| C6 | C5 | C4 | 117.5° | 120.0° |
| C5 | C6 | C7 | 122.4° | 120.0° |
| C6 | C5 | H5 | 121.2° | 120.0° |
| C5 | C6 | H6 | 118.8° | 120.0° |
| C5 | C4 | N1 | 120.5° | 120.0° |
| C5 | C4 | C9 | 120.9° | 120.0° |
| C4 | C5 | H5 | 121.3° | 120.0° |
| C4 | N1 | C13 | 111.3° | 118.3° |
| N1 | C4 | C9 | 118.6° | 120.0° |
| N1 | C13 | C17 | 113.3° | 111.9° |
| N1 | C13 | C24 | 111.5° | 109.0° |
| N1 | C13 | H14 | 108.2° | 108.9° |
| C33 | C11 | C10 | 113.1° | 109.5° |
| C33 | C11 | C12 | 110.5° | 109.5° |
| C33 | C11 | H11 | 108.3° | 109.5° |
| C11 | C33 | H37 | 109.0° | 109.5° |
| C11 | C33 | H38 | 109.0° | 109.5° |
| C31 | C30 | C12 | 113.5° | 109.5° |
| C31 | C30 | H32 | 108.5° | 109.5° |
| C31 | C30 | H33 | 108.4° | 109.5° |
| C30 | C31 | H34 | 106.2° | 109.5° |
| C22 | O1 | C20 | 121.9° | 117.0° |
| O1 | C22 | H19 | 109.5° | 109.5° |
| O1 | C22 | H20 | 109.4° | 109.4° |
| O1 | C22 | H21 | 109.5° | 109.5° |
| C6 | C7 | N2 | 118.0° | 120.0° |
| C6 | C7 | C8 | 119.2° | 120.0° |
| C7 | C6 | H6 | 118.8° | 120.0° |
| C4 | C9 | C8 | 121.0° | 120.0° |
| C4 | C9 | H8 | 119.5° | 120.0° |
| C26 | C25 | C24 | 120.8° | 120.0° |
| C25 | C26 | C2 | 119.4° | 120.0° |
| C26 | C25 | H23 | 119.6° | 119.9° |
| C25 | C26 | H24 | 120.3° | 120.1° |
| C25 | C24 | C13 | 118.6° | 120.0° |
| C25 | C24 | C23 | 119.4° | 120.1° |
| C24 | C25 | H23 | 119.6° | 120.0° |
| C26 | C2 | CL1 | 115.9° | 120.0° |
| C26 | C2 | C3 | 121.3° | 120.0° |
| C2 | C26 | H24 | 120.3° | 120.0° |
| N2 | C7 | C8 | 122.8° | 120.1° |
| C7 | N2 | C38 | 119.5° | 120.0° |
| C7 | N2 | C10 | 123.0° | 120.0° |
| C7 | C8 | C9 | 119.0° | 120.1° |
| C7 | C8 | H7 | 120.5° | 120.0° |
| C38 | N2 | C10 | 117.4° | 120.0° |
| N2 | C38 | H46 | 109.5° | 109.4° |
| N2 | C38 | H47 | 109.5° | 109.5° |
| N2 | C38 | H48 | 109.5° | 109.4° |
| C9 | C8 | H7 | 120.5° | 120.0° |
| C8 | C9 | H8 | 119.5° | 120.0° |
| O1 | C20 | C19 | 114.0° | 120.1° |
| C20 | C19 | C18 | 119.2° | 119.7° |
| C20 | C19 | O2 | 118.3° | 120.1° |
| C10 | C11 | C12 | 108.0° | 109.5° |
| C11 | C10 | N2 | 115.7° | 109.5° |
| C11 | C10 | H9 | 107.9° | 109.5° |
| C11 | C10 | H10 | 107.9° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.5° |
| C11 | C12 | C30 | 110.5° | 109.5° |
| C12 | C11 | H11 | 108.3° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C12 | H13 | 109.2° | 109.4° |
| C13 | C17 | C18 | 117.3° | 118.5° |
| C17 | C13 | C24 | 108.5° | 109.0° |
| C17 | C13 | H14 | 107.7° | 109.0° |
| C17 | C18 | C19 | 120.0° | 120.4° |
| C17 | C18 | H17 | 120.0° | 119.8° |
| C13 | C24 | C23 | 122.0° | 119.9° |
| C24 | C13 | H14 | 107.4° | 109.0° |
| C30 | C12 | H12 | 109.2° | 109.5° |
| C30 | C12 | H13 | 109.2° | 109.5° |
| C12 | C30 | H32 | 108.5° | 109.5° |
| C12 | C30 | H33 | 108.5° | 109.5° |
| N2 | C10 | H9 | 107.9° | 109.4° |
| N2 | C10 | H10 | 107.9° | 109.5° |
| C24 | C23 | C3 | 119.9° | 120.0° |
| C24 | C23 | H22 | 120.0° | 120.0° |
| CL1 | C2 | C3 | 122.8° | 120.0° |
| C2 | C3 | C23 | 119.1° | 120.0° |
| C2 | C3 | H4 | 120.4° | 120.0° |
| C18 | C19 | O2 | 122.5° | 120.2° |
| C19 | C18 | H17 | 120.0° | 119.8° |
| C19 | O2 | C27 | 122.3° | 117.0° |
| C23 | C3 | H4 | 120.5° | 120.0° |
| C3 | C23 | H22 | 120.1° | 120.0° |
| O2 | C27 | C29 | 113.7° | 109.5° |
| O2 | C27 | C28 | 106.7° | 109.5° |
| O2 | C27 | H25 | 110.1° | 109.5° |
| C29 | C27 | C28 | 108.6° | 109.5° |
| C29 | C27 | H25 | 108.8° | 109.5° |
| C27 | C29 | H29 | 109.5° | 109.5° |
| C27 | C29 | H30 | 109.5° | 109.5° |
| C27 | C29 | H31 | 109.5° | 109.5° |
| C28 | C27 | H25 | 108.8° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.4° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.2° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.5° | 109.5° |
| H26 | C28 | H28 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.4° |
| H32 | C30 | H33 | 109.5° | 109.4° |
| H35 | C32 | H36 | 109.5° | 109.4° |
| H37 | C33 | H38 | 109.5° | 109.5° |
| H40 | C34 | H41 | 109.5° | 109.6° |
| H42 | C35 | H43 | 109.5° | 109.4° |
| H44 | C37 | H45 | 109.5° | 109.3° |
| H46 | C38 | H47 | 109.5° | 109.5° |
| H46 | C38 | H48 | 109.5° | 109.5° |
| H47 | C38 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C36 | N4 | C1 | 0.0° | 1.7° |
| O4 | C36 | N4 | C37 | 180.0° | 180.0° |
| O4 | C36 | N4 | C35 | 179.6° | 178.3° |
| O4 | C36 | C37 | N3 | 168.1° | 162.8° |
| O4 | C36 | C37 | H44 | 47.5° | 77.1° |
| O4 | C36 | C37 | H45 | 71.3° | 42.6° |
| C1 | N4 | C36 | C35 | 179.6° | 180.0° |
| C1 | N4 | C36 | C37 | 180.0° | 178.3° |
| C1 | N4 | C35 | C34 | 160.3° | 161.9° |
| N4 | C1 | H1 | H2 | 120.0° | 120.0° |
| N4 | C1 | H1 | H3 | 120.0° | 120.0° |
| N4 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N4 | C35 | H42 | 40.2° | 77.9° |
| C1 | N4 | C35 | H43 | 79.4° | 41.7° |
| N4 | C36 | C37 | N3 | 11.9° | 17.2° |
| C36 | N4 | C35 | C34 | 19.2° | 18.1° |
| C36 | N4 | C1 | H1 | 180.0° | 90.0° |
| C36 | N4 | C1 | H2 | 60.0° | 30.0° |
| C36 | N4 | C1 | H3 | 60.0° | 150.0° |
| C36 | N4 | C35 | H42 | 139.4° | 102.1° |
| C36 | N4 | C35 | H43 | 101.0° | 138.3° |
| N4 | C36 | C37 | H44 | 132.5° | 102.9° |
| N4 | C36 | C37 | H45 | 108.7° | 137.4° |
| C37 | C36 | N4 | C35 | 0.4° | 1.7° |
| C36 | C37 | N3 | H44 | 120.6° | 120.2° |
| C36 | C37 | N3 | H45 | 120.6° | 120.2° |
| C36 | C37 | N3 | C34 | 44.6° | 50.3° |
| C36 | C37 | N3 | C31 | 172.7° | 173.7° |
| C36 | C37 | H44 | H45 | 118.1° | 119.7° |
| N4 | C35 | C34 | H42 | 120.2° | 120.2° |
| N4 | C35 | C34 | H43 | 120.2° | 120.0° |
| N4 | C35 | C34 | N3 | 50.5° | 50.3° |
| C35 | N4 | C1 | H1 | 0.4° | 90.0° |
| C35 | N4 | C1 | H2 | 119.6° | 150.0° |
| C35 | N4 | C1 | H3 | 120.4° | 30.0° |
| N4 | C35 | C34 | H40 | 69.4° | 170.1° |
| N4 | C35 | C34 | H41 | 170.4° | 69.6° |
| N4 | C35 | H42 | H43 | 119.4° | 119.6° |
| O3 | C14 | C15 | N1 | 179.8° | 180.0° |
| O3 | C14 | C15 | C16 | 160.1° | 158.9° |
| O3 | C14 | N1 | C4 | 0.1° | 0.6° |
| O3 | C14 | N1 | C13 | 179.5° | 179.4° |
| O3 | C14 | C15 | H15 | 79.4° | 80.6° |
| O3 | C14 | C15 | H16 | 39.6° | 38.6° |
| C37 | N3 | C34 | C35 | 64.5° | 69.0° |
| C37 | N3 | C31 | C32 | 51.7° | 177.1° |
| C37 | N3 | C34 | C31 | 141.5° | 123.4° |
| C37 | N3 | C31 | C30 | 73.8° | 57.1° |
| C37 | N3 | C31 | H34 | 168.9° | 62.9° |
| C37 | N3 | C34 | H40 | 55.4° | 171.3° |
| C37 | N3 | C34 | H41 | 175.6° | 50.9° |
| N3 | C37 | H44 | H45 | 118.1° | 119.7° |
| C14 | C15 | C16 | H15 | 120.5° | 120.4° |
| C14 | C15 | C16 | H16 | 120.5° | 120.4° |
| C14 | C15 | C16 | C21 | 160.8° | 159.3° |
| C14 | C15 | C16 | C17 | 20.2° | 20.8° |
| C15 | C14 | N1 | C4 | 179.7° | 179.4° |
| C15 | C14 | N1 | C13 | 0.7° | 0.6° |
| C14 | C15 | H15 | H16 | 118.5° | 119.2° |
| C16 | C15 | C14 | N1 | 19.7° | 21.1° |
| C15 | C16 | C21 | C17 | 179.0° | 179.9° |
| C15 | C16 | C21 | C20 | 179.6° | 180.0° |
| C15 | C16 | C17 | C13 | 1.2° | 0.0° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C16 | C15 | H15 | H16 | 118.5° | 119.2° |
| C15 | C16 | C21 | H18 | 0.5° | 0.1° |
| C14 | N1 | C4 | C5 | 83.0° | 96.1° |
| C14 | N1 | C4 | C13 | 179.6° | 180.0° |
| C14 | N1 | C4 | C9 | 97.8° | 83.7° |
| C14 | N1 | C13 | C17 | 20.4° | 22.0° |
| C14 | N1 | C13 | C24 | 102.4° | 98.6° |
| C14 | N1 | C13 | H14 | 139.7° | 142.6° |
| N1 | C14 | C15 | H15 | 100.8° | 99.3° |
| N1 | C14 | C15 | H16 | 140.2° | 141.4° |
| C35 | C34 | N3 | H40 | 119.9° | 119.7° |
| C35 | C34 | N3 | H41 | 119.9° | 119.9° |
| C35 | C34 | N3 | C31 | 154.1° | 167.6° |
| C35 | C34 | H40 | H41 | 120.3° | 120.4° |
| C34 | C35 | H42 | H43 | 119.4° | 119.8° |
| C33 | C32 | C31 | H35 | 120.0° | 120.1° |
| C33 | C32 | C31 | H36 | 120.0° | 120.0° |
| C33 | C32 | C31 | N3 | 172.2° | 180.0° |
| C32 | C33 | C11 | H37 | 120.2° | 120.0° |
| C32 | C33 | C11 | H38 | 120.3° | 120.0° |
| C33 | C32 | C31 | C30 | 59.2° | 60.0° |
| C32 | C33 | C11 | C10 | 179.7° | 180.0° |
| C32 | C33 | C11 | C12 | 58.6° | 60.0° |
| C32 | C33 | C11 | H11 | 59.9° | 60.0° |
| C33 | C32 | C31 | H34 | 54.7° | 60.0° |
| C33 | C32 | H35 | H36 | 120.2° | 120.0° |
| C32 | C33 | H37 | H38 | 119.2° | 120.0° |
| C32 | C31 | N3 | C34 | 169.1° | 60.0° |
| C32 | C31 | N3 | C30 | 125.5° | 120.0° |
| C32 | C31 | N3 | H34 | 117.2° | 120.0° |
| C31 | C32 | C33 | C11 | 62.2° | 60.0° |
| C32 | C31 | C30 | H34 | 114.1° | 120.0° |
| C32 | C31 | C30 | C12 | 56.5° | 60.0° |
| C32 | C31 | C30 | H32 | 64.1° | 180.0° |
| C32 | C31 | C30 | H33 | 177.1° | 60.0° |
| C31 | C32 | H35 | H36 | 120.1° | 120.0° |
| C31 | C32 | C33 | H37 | 58.1° | 180.0° |
| C31 | C32 | C33 | H38 | 177.6° | 60.0° |
| C34 | N3 | C31 | C30 | 65.5° | 180.0° |
| C34 | N3 | C31 | H34 | 51.9° | 60.0° |
| N3 | C34 | H40 | H41 | 120.3° | 120.3° |
| N3 | C34 | C35 | H42 | 170.6° | 69.9° |
| N3 | C34 | C35 | H43 | 69.8° | 170.3° |
| C34 | N3 | C37 | H44 | 165.2° | 69.9° |
| C34 | N3 | C37 | H45 | 76.1° | 170.5° |
| N3 | C31 | C30 | H34 | 117.8° | 120.0° |
| N3 | C31 | C30 | C12 | 175.4° | 180.0° |
| N3 | C31 | C30 | H32 | 64.0° | 60.0° |
| N3 | C31 | C30 | H33 | 54.8° | 60.0° |
| N3 | C31 | C32 | H35 | 67.8° | 60.0° |
| N3 | C31 | C32 | H36 | 52.3° | 60.0° |
| C31 | N3 | C34 | H40 | 86.0° | 47.9° |
| C31 | N3 | C34 | H41 | 34.2° | 72.5° |
| C31 | N3 | C37 | H44 | 52.1° | 53.5° |
| C31 | N3 | C37 | H45 | 66.7° | 66.1° |
| C16 | C21 | C20 | H18 | 180.0° | 179.9° |
| C16 | C21 | C20 | O1 | 179.7° | 180.0° |
| C16 | C21 | C20 | C19 | 0.3° | 0.1° |
| C21 | C16 | C17 | C13 | 179.9° | 179.9° |
| C21 | C16 | C17 | C18 | 0.7° | 0.1° |
| C21 | C16 | C15 | H15 | 78.7° | 80.3° |
| C21 | C16 | C15 | H16 | 40.3° | 38.9° |
| C20 | C21 | C16 | C17 | 0.6° | 0.1° |
| C21 | C20 | O1 | C22 | 0.6° | 0.1° |
| C21 | C20 | O1 | C19 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.2° | 0.1° |
| C21 | C20 | C19 | O2 | 180.0° | 180.0° |
| C16 | C17 | C13 | N1 | 18.9° | 21.5° |
| C16 | C17 | C13 | C18 | 179.2° | 180.0° |
| C16 | C17 | C13 | C24 | 105.5° | 99.1° |
| C16 | C17 | C18 | C19 | 0.7° | 0.1° |
| C16 | C17 | C13 | H14 | 138.5° | 142.0° |
| C17 | C16 | C15 | H15 | 100.3° | 99.6° |
| C17 | C16 | C15 | H16 | 140.7° | 141.2° |
| C16 | C17 | C18 | H17 | 179.3° | 180.0° |
| C17 | C16 | C21 | H18 | 179.4° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | N1 | 178.5° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | C9 | 0.7° | 0.0° |
| C5 | C6 | C7 | N2 | 178.7° | 180.0° |
| C5 | C6 | C7 | C8 | 1.5° | 0.0° |
| C5 | C4 | N1 | C9 | 179.2° | 179.7° |
| C5 | C4 | N1 | C13 | 96.6° | 84.0° |
| C4 | C5 | C6 | C7 | 1.2° | 0.0° |
| C5 | C4 | C9 | C8 | 0.5° | 0.0° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| C5 | C4 | C9 | H8 | 179.4° | 179.9° |
| N1 | C4 | C9 | C8 | 178.6° | 179.8° |
| C4 | N1 | C13 | C17 | 159.9° | 158.0° |
| C4 | N1 | C13 | C24 | 77.2° | 81.4° |
| N1 | C4 | C5 | H5 | 1.6° | 0.2° |
| N1 | C4 | C9 | H8 | 1.4° | 0.3° |
| C4 | N1 | C13 | H14 | 40.6° | 37.4° |
| C13 | N1 | C4 | C9 | 82.6° | 96.3° |
| N1 | C13 | C24 | C25 | 74.2° | 41.2° |
| N1 | C13 | C17 | C24 | 124.5° | 120.6° |
| N1 | C13 | C17 | H14 | 119.6° | 120.6° |
| N1 | C13 | C17 | C18 | 160.2° | 158.5° |
| N1 | C13 | C24 | H14 | 118.4° | 118.8° |
| N1 | C13 | C24 | C23 | 104.6° | 138.7° |
| C33 | C11 | C10 | C12 | 122.6° | 120.0° |
| C33 | C11 | C10 | H11 | 120.3° | 120.0° |
| C33 | C11 | C12 | H11 | 118.5° | 120.0° |
| C33 | C11 | C12 | C30 | 52.9° | 60.0° |
| C33 | C11 | C10 | N2 | 59.7° | 65.0° |
| C33 | C11 | C10 | H9 | 179.4° | 175.0° |
| C33 | C11 | C10 | H10 | 61.1° | 55.0° |
| C33 | C11 | C12 | H12 | 67.3° | 60.0° |
| C33 | C11 | C12 | H13 | 173.1° | 180.0° |
| C11 | C33 | C32 | H35 | 57.8° | 180.0° |
| C11 | C33 | C32 | H36 | 177.9° | 60.0° |
| C11 | C33 | H37 | H38 | 119.2° | 120.0° |
| C31 | C30 | C12 | C11 | 53.3° | 60.0° |
| C31 | C30 | C12 | H32 | 120.6° | 120.0° |
| C31 | C30 | C12 | H33 | 120.6° | 120.0° |
| C31 | C30 | C12 | H12 | 66.9° | 60.0° |
| C31 | C30 | C12 | H13 | 173.5° | 180.0° |
| C31 | C30 | H32 | H33 | 118.2° | 120.0° |
| C30 | C31 | C32 | H35 | 60.7° | 180.0° |
| C30 | C31 | C32 | H36 | 179.2° | 60.0° |
| C22 | O1 | C20 | C19 | 179.4° | 180.0° |
| O1 | C22 | H19 | H20 | 120.0° | 120.0° |
| O1 | C22 | H19 | H21 | 120.0° | 120.0° |
| O1 | C22 | H20 | H21 | 120.0° | 120.0° |
| C6 | C7 | N2 | C8 | 177.1° | 180.0° |
| C6 | C7 | N2 | C38 | 2.9° | 0.0° |
| C6 | C7 | C8 | C9 | 1.3° | 0.0° |
| C6 | C7 | N2 | C10 | 179.6° | 180.0° |
| C7 | C6 | C5 | H5 | 178.8° | 180.0° |
| C6 | C7 | C8 | H7 | 178.7° | 180.0° |
| C4 | C9 | C8 | C7 | 0.8° | 0.0° |
| C4 | C9 | C8 | H8 | 180.0° | 179.9° |
| C9 | C4 | C5 | H5 | 179.3° | 180.0° |
| C4 | C9 | C8 | H7 | 179.2° | 180.0° |
| C26 | C25 | C24 | H23 | 180.0° | 179.6° |
| C25 | C26 | C2 | H24 | 180.0° | 179.5° |
| C26 | C25 | C24 | C13 | 179.7° | 179.7° |
| C26 | C25 | C24 | C23 | 0.7° | 0.2° |
| C25 | C26 | C2 | CL1 | 179.8° | 179.8° |
| C25 | C26 | C2 | C3 | 0.1° | 0.5° |
| C24 | C25 | C26 | C2 | 0.4° | 0.5° |
| C25 | C24 | C13 | C17 | 51.3° | 81.3° |
| C25 | C24 | C13 | C23 | 178.9° | 179.9° |
| C25 | C24 | C23 | C3 | 0.6° | 0.1° |
| C25 | C24 | C13 | H14 | 167.4° | 159.9° |
| C25 | C24 | C23 | H22 | 179.5° | 179.9° |
| C24 | C25 | C26 | H24 | 179.6° | 179.9° |
| C26 | C2 | CL1 | C3 | 179.7° | 179.7° |
| C26 | C2 | C3 | C23 | 0.3° | 0.2° |
| C26 | C2 | C3 | H4 | 179.7° | 179.7° |
| C2 | C26 | C25 | H23 | 179.6° | 180.0° |
| C7 | N2 | C38 | C10 | 177.6° | 180.0° |
| N2 | C7 | C8 | C9 | 178.3° | 180.0° |
| C7 | N2 | C10 | C11 | 85.8° | 90.0° |
| N2 | C7 | C6 | H6 | 1.3° | 0.0° |
| N2 | C7 | C8 | H7 | 1.7° | 0.0° |
| C7 | N2 | C10 | H9 | 35.1° | 30.0° |
| C7 | N2 | C10 | H10 | 153.3° | 150.0° |
| C7 | N2 | C38 | H46 | 180.0° | 90.0° |
| C7 | N2 | C38 | H47 | 60.0° | 150.0° |
| C7 | N2 | C38 | H48 | 60.0° | 30.0° |
| C8 | C7 | N2 | C38 | 174.2° | 180.0° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | C7 | N2 | C10 | 3.3° | 0.0° |
| C8 | C7 | C6 | H6 | 178.5° | 180.0° |
| C7 | C8 | C9 | H8 | 179.2° | 180.0° |
| C38 | N2 | C10 | C11 | 96.7° | 90.0° |
| C38 | N2 | C10 | H9 | 142.4° | 150.0° |
| C38 | N2 | C10 | H10 | 24.2° | 30.0° |
| N2 | C38 | H46 | H47 | 120.0° | 120.0° |
| N2 | C38 | H46 | H48 | 120.0° | 120.0° |
| N2 | C38 | H47 | H48 | 120.0° | 120.0° |
| O1 | C20 | C19 | C18 | 179.8° | 180.0° |
| O1 | C20 | C19 | O2 | 0.1° | 0.1° |
| O1 | C20 | C21 | H18 | 0.3° | 0.1° |
| C20 | O1 | C22 | H19 | 180.0° | 180.0° |
| C20 | O1 | C22 | H20 | 60.0° | 60.0° |
| C20 | O1 | C22 | H21 | 60.0° | 60.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C20 | C19 | C18 | O2 | 179.7° | 180.0° |
| C20 | C19 | O2 | C27 | 179.3° | 178.0° |
| C20 | C19 | C18 | H17 | 179.6° | 180.0° |
| C19 | C20 | C21 | H18 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 117.4° | 120.1° |
| C10 | C11 | C12 | C30 | 177.0° | 180.0° |
| C11 | C10 | N2 | H9 | 120.9° | 120.0° |
| C11 | C10 | N2 | H10 | 120.9° | 120.0° |
| C11 | C10 | H9 | H10 | 117.2° | 120.0° |
| C10 | C11 | C12 | H12 | 56.9° | 60.0° |
| C10 | C11 | C12 | H13 | 62.8° | 60.0° |
| C10 | C11 | C33 | H37 | 59.5° | 60.0° |
| C10 | C11 | C33 | H38 | 60.0° | 60.0° |
| C11 | C12 | C30 | H12 | 120.2° | 120.0° |
| C11 | C12 | C30 | H13 | 120.2° | 119.9° |
| C12 | C11 | C10 | N2 | 177.7° | 175.0° |
| C12 | C11 | C10 | H9 | 56.8° | 55.1° |
| C12 | C11 | C10 | H10 | 61.4° | 65.0° |
| C11 | C12 | H12 | H13 | 119.5° | 120.0° |
| C11 | C12 | C30 | H32 | 67.3° | 180.0° |
| C11 | C12 | C30 | H33 | 173.9° | 60.0° |
| C12 | C11 | C33 | H37 | 61.7° | 180.0° |
| C12 | C11 | C33 | H38 | 178.8° | 60.0° |
| C17 | C13 | C24 | H14 | 116.1° | 118.8° |
| C17 | C13 | C24 | C23 | 129.8° | 98.8° |
| C13 | C17 | C18 | C19 | 179.8° | 179.9° |
| C13 | C17 | C18 | H17 | 0.2° | 0.0° |
| C18 | C17 | C13 | C24 | 75.3° | 80.9° |
| C17 | C18 | C19 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | O2 | 179.9° | 180.0° |
| C18 | C17 | C13 | H14 | 40.6° | 37.9° |
| C13 | C24 | C23 | C3 | 179.4° | 180.0° |
| C13 | C24 | C23 | H22 | 0.6° | 0.0° |
| C13 | C24 | C25 | H23 | 0.3° | 0.2° |
| C30 | C12 | C11 | H11 | 65.6° | 59.9° |
| C30 | C12 | H12 | H13 | 119.5° | 120.0° |
| C12 | C30 | H32 | H33 | 118.2° | 120.0° |
| C12 | C30 | C31 | H34 | 57.6° | 60.0° |
| N2 | C10 | H9 | H10 | 117.2° | 120.0° |
| N2 | C10 | C11 | H11 | 60.5° | 55.0° |
| C10 | N2 | C38 | H46 | 2.4° | 90.0° |
| C10 | N2 | C38 | H47 | 122.4° | 30.0° |
| C10 | N2 | C38 | H48 | 117.7° | 150.0° |
| C24 | C23 | C3 | C2 | 0.1° | 0.1° |
| C24 | C23 | C3 | H22 | 180.0° | 180.0° |
| C24 | C23 | C3 | H4 | 179.9° | 180.0° |
| C23 | C24 | C13 | H14 | 13.7° | 20.0° |
| C23 | C24 | C25 | H23 | 179.3° | 179.7° |
| CL1 | C2 | C3 | C23 | 180.0° | 180.0° |
| CL1 | C2 | C3 | H4 | 0.0° | 0.0° |
| CL1 | C2 | C26 | H24 | 0.1° | 0.3° |
| C2 | C3 | C23 | H4 | 180.0° | 179.9° |
| C2 | C3 | C23 | H22 | 180.0° | 180.0° |
| C3 | C2 | C26 | H24 | 179.9° | 180.0° |
| C18 | C19 | O2 | C27 | 1.0° | 2.1° |
| C19 | O2 | C27 | C29 | 81.7° | 84.2° |
| C19 | O2 | C27 | C28 | 158.5° | 155.8° |
| O2 | C19 | C18 | H17 | 0.1° | 0.1° |
| C19 | O2 | C27 | H25 | 40.6° | 35.8° |
| O2 | C27 | C29 | C28 | 118.7° | 120.0° |
| O2 | C27 | C29 | H25 | 123.1° | 120.0° |
| O2 | C27 | C28 | H25 | 118.8° | 120.0° |
| O2 | C27 | C28 | H26 | 180.0° | 60.0° |
| O2 | C27 | C28 | H27 | 60.0° | 180.0° |
| O2 | C27 | C28 | H28 | 60.0° | 59.9° |
| O2 | C27 | C29 | H29 | 180.0° | 60.0° |
| O2 | C27 | C29 | H30 | 60.0° | 60.0° |
| O2 | C27 | C29 | H31 | 60.0° | 180.0° |
| C29 | C27 | C28 | H25 | 118.2° | 120.0° |
| C29 | C27 | C28 | H26 | 57.0° | 60.0° |
| C29 | C27 | C28 | H27 | 63.0° | 60.0° |
| C29 | C27 | C28 | H28 | 177.0° | 180.0° |
| C27 | C29 | H29 | H30 | 120.0° | 120.0° |
| C27 | C29 | H29 | H31 | 120.0° | 120.0° |
| C27 | C29 | H30 | H31 | 120.0° | 120.0° |
| C27 | C28 | H26 | H27 | 120.0° | 120.0° |
| C27 | C28 | H26 | H28 | 120.0° | 120.0° |
| C27 | C28 | H27 | H28 | 120.0° | 120.1° |
| C28 | C27 | C29 | H29 | 61.3° | 60.0° |
| C28 | C27 | C29 | H30 | 178.7° | 180.0° |
| C28 | C27 | C29 | H31 | 58.7° | 60.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C3 | C23 | H22 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 1.2° | 0.1° |
| H7 | C8 | C9 | H8 | 0.8° | 0.1° |
| H9 | C10 | C11 | H11 | 60.4° | 65.0° |
| H10 | C10 | C11 | H11 | 178.6° | 175.0° |
| H11 | C11 | C12 | H12 | 174.3° | 180.0° |
| H11 | C11 | C12 | H13 | 54.6° | 60.0° |
| H11 | C11 | C33 | H37 | 179.9° | 60.0° |
| H11 | C11 | C33 | H38 | 60.4° | 180.0° |
| H12 | C12 | C30 | H32 | 172.6° | 60.0° |
| H12 | C12 | C30 | H33 | 53.7° | 180.0° |
| H13 | C12 | C30 | H32 | 52.9° | 60.1° |
| H13 | C12 | C30 | H33 | 66.0° | 59.9° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H23 | C25 | C26 | H24 | 0.4° | 0.5° |
| H25 | C27 | C28 | H26 | 61.2° | 180.0° |
| H25 | C27 | C28 | H27 | 178.8° | 60.0° |
| H25 | C27 | C28 | H28 | 58.8° | 60.0° |
| H25 | C27 | C29 | H29 | 56.9° | 180.0° |
| H25 | C27 | C29 | H30 | 63.1° | 60.0° |
| H25 | C27 | C29 | H31 | 176.9° | 60.0° |
| H26 | C28 | H27 | H28 | 120.0° | 120.0° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
| H32 | C30 | C31 | H34 | 178.2° | 60.0° |
| H33 | C30 | C31 | H34 | 63.0° | 180.0° |
| H34 | C31 | C32 | H35 | 174.7° | 60.0° |
| H34 | C31 | C32 | H36 | 65.2° | 180.0° |
| H35 | C32 | C33 | H37 | 178.0° | 59.9° |
| H35 | C32 | C33 | H38 | 62.5° | 60.0° |
| H36 | C32 | C33 | H37 | 61.9° | 60.0° |
| H36 | C32 | C33 | H38 | 57.6° | 180.0° |
| H40 | C34 | C35 | H42 | 50.7° | 49.9° |
| H40 | C34 | C35 | H43 | 170.3° | 69.9° |
| H41 | C34 | C35 | H42 | 69.4° | 170.3° |
| H41 | C34 | C35 | H43 | 50.1° | 50.5° |
| H46 | C38 | H47 | H48 | 120.0° | 120.1° |
