A1CEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F41 | C39 | sing | 1.40Å | 1.39Å | |
| O8 | C7 | doub | 1.22Å | 1.21Å | |
| F40 | C39 | sing | 1.40Å | 1.38Å | |
| C39 | F42 | sing | 1.40Å | 1.39Å | |
| C39 | C38 | sing | 1.51Å | 1.51Å | |
| C47 | C46 | sing | 1.53Å | 1.53Å | |
| C47 | N9 | sing | 1.47Å | 1.49Å | |
| C43 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.38Å | Aromatic |
| CL4 | C44 | sing | 1.74Å | 1.73Å | |
| C38 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C46 | C12 | sing | 1.53Å | 1.52Å | |
| C7 | N9 | sing | 1.35Å | 1.37Å | |
| C7 | C6 | sing | 1.48Å | 1.49Å | |
| C44 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| N9 | C10 | sing | 1.47Å | 1.48Å | |
| O49 | C48 | sing | 1.36Å | 1.36Å | |
| C6 | C48 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C48 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| O18 | C17 | doub | 1.22Å | 1.22Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | C16 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N5 | C4 | doub | 1.31Å | 1.32Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | N34 | sing | 1.40Å | 1.40Å | |
| C17 | C16 | sing | 1.41Å | 1.43Å | |
| C17 | N19 | sing | 1.34Å | 1.34Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C16 | C15 | doub | 1.35Å | 1.36Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| N20 | N19 | sing | 1.40Å | 1.40Å | Aromatic |
| N20 | C21 | doub | 1.31Å | 1.31Å | Aromatic |
| N19 | C29 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C32 | N34 | sing | 1.35Å | 1.36Å | |
| C32 | C31 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.52Å | 1.51Å | |
| C15 | N30 | sing | 1.37Å | 1.37Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C23 | N22 | sing | 1.47Å | 1.48Å | |
| C21 | N22 | sing | 1.39Å | 1.40Å | |
| C21 | N28 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | N30 | sing | 1.37Å | 1.37Å | |
| C29 | N28 | doub | 1.32Å | 1.30Å | Aromatic |
| N30 | C31 | sing | 1.46Å | 1.47Å | |
| N22 | C27 | sing | 1.47Å | 1.47Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.08Å | 1.08Å | |
| C37 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| N34 | H23 | sing | 0.97Å | 1.00Å | |
| C43 | H24 | sing | 1.08Å | 1.08Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C47 | H27 | sing | 1.09Å | 1.10Å | |
| C47 | H28 | sing | 1.09Å | 1.10Å | |
| O49 | H29 | sing | 0.97Å | 0.95Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F41 | C39 | F40 | 107.5° | 109.5° |
| F41 | C39 | F42 | 109.7° | 109.5° |
| F41 | C39 | C38 | 112.7° | 109.5° |
| O8 | C7 | N9 | 120.0° | 120.0° |
| O8 | C7 | C6 | 117.0° | 120.0° |
| F40 | C39 | F42 | 108.7° | 109.5° |
| F40 | C39 | C38 | 107.9° | 109.5° |
| F42 | C39 | C38 | 110.2° | 109.4° |
| C39 | C38 | C43 | 121.3° | 120.0° |
| C39 | C38 | C37 | 119.3° | 119.9° |
| C46 | C47 | N9 | 113.6° | 108.7° |
| C47 | C46 | C12 | 111.4° | 109.4° |
| C47 | C46 | H25 | 109.0° | 109.5° |
| C47 | C46 | H26 | 109.0° | 109.5° |
| C46 | C47 | H27 | 108.4° | 109.6° |
| C46 | C47 | H28 | 108.4° | 109.6° |
| C47 | N9 | C7 | 121.0° | 120.6° |
| C47 | N9 | C10 | 117.8° | 118.8° |
| N9 | C47 | H27 | 108.4° | 109.6° |
| N9 | C47 | H28 | 108.5° | 109.5° |
| C38 | C43 | C44 | 121.1° | 120.1° |
| C43 | C38 | C37 | 119.4° | 120.2° |
| C38 | C43 | H24 | 119.4° | 120.0° |
| C43 | C44 | CL4 | 117.5° | 120.0° |
| C43 | C44 | C35 | 119.7° | 119.9° |
| C44 | C43 | H24 | 119.4° | 120.0° |
| CL4 | C44 | C35 | 122.8° | 120.0° |
| C38 | C37 | C36 | 119.9° | 120.1° |
| C38 | C37 | H16 | 120.0° | 120.0° |
| C46 | C12 | C13 | 110.2° | 110.0° |
| C46 | C12 | C16 | 110.0° | 110.3° |
| C46 | C12 | C11 | 110.8° | 110.6° |
| C12 | C46 | H25 | 109.0° | 109.4° |
| C12 | C46 | H26 | 109.0° | 109.5° |
| N9 | C7 | C6 | 122.8° | 120.0° |
| C7 | N9 | C10 | 121.3° | 120.6° |
| C7 | C6 | C48 | 124.9° | 120.6° |
| C7 | C6 | N5 | 116.7° | 120.6° |
| C44 | C35 | C36 | 118.7° | 119.8° |
| C44 | C35 | N34 | 123.7° | 120.1° |
| N9 | C10 | C11 | 110.0° | 108.7° |
| N9 | C10 | H17 | 109.3° | 109.6° |
| N9 | C10 | H18 | 109.3° | 109.6° |
| O49 | C48 | C6 | 121.2° | 121.0° |
| O49 | C48 | C2 | 121.1° | 121.0° |
| C48 | O49 | H29 | 109.5° | 113.9° |
| C48 | C6 | N5 | 118.4° | 118.8° |
| C6 | C48 | C2 | 117.6° | 118.1° |
| C6 | N5 | C4 | 121.6° | 120.8° |
| C48 | C2 | C1 | 121.0° | 120.5° |
| C48 | C2 | N3 | 119.8° | 119.1° |
| O33 | C32 | N34 | 122.6° | 120.0° |
| O33 | C32 | C31 | 120.3° | 120.0° |
| C37 | C36 | C35 | 121.2° | 120.0° |
| C37 | C36 | H15 | 119.5° | 120.0° |
| C36 | C37 | H16 | 120.0° | 119.9° |
| O18 | C17 | C16 | 122.8° | 120.1° |
| O18 | C17 | N19 | 117.3° | 120.0° |
| C13 | C12 | C16 | 107.5° | 105.4° |
| C13 | C12 | C11 | 110.7° | 110.0° |
| C12 | C13 | C14 | 104.1° | 101.9° |
| C12 | C13 | H19 | 110.8° | 110.9° |
| C12 | C13 | H30 | 110.8° | 110.9° |
| C16 | C12 | C11 | 107.5° | 110.4° |
| C12 | C16 | C17 | 131.4° | 130.4° |
| C12 | C16 | C15 | 110.0° | 110.1° |
| C12 | C11 | C10 | 113.6° | 109.4° |
| C12 | C11 | H5 | 108.4° | 109.5° |
| C12 | C11 | H6 | 108.4° | 109.5° |
| N5 | C4 | N3 | 121.6° | 122.0° |
| N5 | C4 | H4 | 119.2° | 118.9° |
| C36 | C35 | N34 | 117.6° | 120.1° |
| C35 | C36 | H15 | 119.4° | 120.0° |
| C35 | N34 | C32 | 122.8° | 120.0° |
| C35 | N34 | H23 | 118.6° | 120.0° |
| C16 | C17 | N19 | 119.8° | 119.9° |
| C17 | C16 | C15 | 118.6° | 119.5° |
| C17 | N19 | N20 | 132.9° | 133.1° |
| C17 | N19 | C29 | 120.6° | 120.3° |
| C13 | C14 | C15 | 106.7° | 105.1° |
| C14 | C13 | H19 | 110.8° | 111.0° |
| C13 | C14 | H20 | 110.2° | 110.3° |
| C14 | C13 | H30 | 110.8° | 111.0° |
| C13 | C14 | H31 | 110.2° | 110.3° |
| C16 | C15 | C14 | 111.5° | 110.2° |
| C16 | C15 | N30 | 120.2° | 119.8° |
| C1 | C2 | N3 | 119.2° | 120.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | N3 | C4 | 121.0° | 121.2° |
| C10 | C11 | H5 | 108.4° | 109.4° |
| C10 | C11 | H6 | 108.4° | 109.5° |
| C11 | C10 | H17 | 109.3° | 109.6° |
| C11 | C10 | H18 | 109.3° | 109.5° |
| N19 | N20 | C21 | 107.1° | 106.9° |
| N20 | N19 | C29 | 106.5° | 106.6° |
| N20 | C21 | N22 | 127.1° | 125.4° |
| N20 | C21 | N28 | 108.2° | 109.2° |
| N19 | C29 | N30 | 120.5° | 120.0° |
| N19 | C29 | N28 | 107.5° | 107.6° |
| N3 | C4 | H4 | 119.2° | 119.0° |
| N34 | C32 | C31 | 117.0° | 120.0° |
| C32 | N34 | H23 | 118.6° | 120.0° |
| C32 | C31 | N30 | 110.3° | 109.5° |
| C32 | C31 | H13 | 109.3° | 109.4° |
| C32 | C31 | H14 | 109.3° | 109.4° |
| C14 | C15 | N30 | 128.3° | 130.0° |
| C15 | C14 | H20 | 110.2° | 110.3° |
| C15 | C14 | H31 | 110.2° | 110.3° |
| C15 | N30 | C29 | 120.3° | 120.5° |
| C15 | N30 | C31 | 120.9° | 119.7° |
| C23 | C24 | O25 | 108.7° | 109.3° |
| C24 | C23 | N22 | 110.2° | 109.3° |
| C24 | C23 | H7 | 109.3° | 109.5° |
| C24 | C23 | H8 | 109.3° | 109.6° |
| C23 | C24 | H9 | 109.7° | 109.5° |
| C23 | C24 | H10 | 109.7° | 109.5° |
| C24 | O25 | C26 | 114.2° | 113.7° |
| O25 | C24 | H9 | 109.7° | 109.5° |
| O25 | C24 | H10 | 109.7° | 109.5° |
| C23 | N22 | C21 | 116.3° | 111.0° |
| C23 | N22 | C27 | 115.5° | 110.7° |
| N22 | C23 | H7 | 109.3° | 109.5° |
| N22 | C23 | H8 | 109.3° | 109.4° |
| N22 | C21 | N28 | 124.7° | 125.4° |
| C21 | N22 | C27 | 115.9° | 111.0° |
| C21 | N28 | C29 | 110.7° | 109.8° |
| N30 | C29 | N28 | 132.0° | 132.4° |
| C29 | N30 | C31 | 118.8° | 119.7° |
| N30 | C31 | H13 | 109.2° | 109.5° |
| N30 | C31 | H14 | 109.3° | 109.5° |
| N22 | C27 | C26 | 109.9° | 109.3° |
| N22 | C27 | H11 | 109.4° | 109.5° |
| N22 | C27 | H12 | 109.4° | 109.5° |
| O25 | C26 | C27 | 108.8° | 109.2° |
| O25 | C26 | H21 | 109.6° | 109.4° |
| O25 | C26 | H22 | 109.7° | 109.5° |
| C26 | C27 | H11 | 109.4° | 109.5° |
| C26 | C27 | H12 | 109.4° | 109.6° |
| C27 | C26 | H21 | 109.6° | 109.5° |
| C27 | C26 | H22 | 109.6° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.5° | 109.6° |
| H9 | C24 | H10 | 109.5° | 109.6° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H13 | C31 | H14 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.7° |
| H19 | C13 | H30 | 109.4° | 110.9° |
| H20 | C14 | H31 | 109.4° | 110.4° |
| H21 | C26 | H22 | 109.4° | 109.6° |
| H25 | C46 | H26 | 109.5° | 109.5° |
| H27 | C47 | H28 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F41 | C39 | F40 | F42 | 118.7° | 120.0° |
| F41 | C39 | F40 | C38 | 121.8° | 120.0° |
| F41 | C39 | F42 | C38 | 124.7° | 120.0° |
| F41 | C39 | C38 | C43 | 8.4° | 150.0° |
| F41 | C39 | C38 | C37 | 171.0° | 29.9° |
| O8 | C7 | N9 | C47 | 1.4° | 177.3° |
| O8 | C7 | N9 | C6 | 175.3° | 180.0° |
| O8 | C7 | N9 | C10 | 179.2° | 2.8° |
| O8 | C7 | C6 | C48 | 75.8° | 8.4° |
| O8 | C7 | C6 | N5 | 102.9° | 171.5° |
| F40 | C39 | F42 | C38 | 118.0° | 119.9° |
| F40 | C39 | C38 | C43 | 126.9° | 30.0° |
| F40 | C39 | C38 | C37 | 52.4° | 150.0° |
| F42 | C39 | C38 | C43 | 114.6° | 90.0° |
| F42 | C39 | C38 | C37 | 66.1° | 90.1° |
| C39 | C38 | C43 | C37 | 179.4° | 179.9° |
| C39 | C38 | C43 | C44 | 179.7° | 179.7° |
| C39 | C38 | C37 | C36 | 179.9° | 180.0° |
| C39 | C38 | C37 | H16 | 0.1° | 0.0° |
| C39 | C38 | C43 | H24 | 0.3° | 0.0° |
| C46 | C47 | N9 | H27 | 120.6° | 119.8° |
| C46 | C47 | N9 | H28 | 120.6° | 119.8° |
| C47 | C46 | C12 | H25 | 120.3° | 120.0° |
| C47 | C46 | C12 | H26 | 120.3° | 120.0° |
| C46 | C47 | N9 | C7 | 132.0° | 125.9° |
| C46 | C47 | N9 | C10 | 47.4° | 54.1° |
| C47 | C46 | C12 | C13 | 70.1° | 61.5° |
| C47 | C46 | C12 | C16 | 171.6° | 177.4° |
| C47 | C46 | C12 | C11 | 52.8° | 60.2° |
| C47 | C46 | H25 | H26 | 119.1° | 120.1° |
| C46 | C47 | H27 | H28 | 118.1° | 120.4° |
| N9 | C47 | C46 | C12 | 48.8° | 53.9° |
| C47 | N9 | C7 | C10 | 179.4° | 179.9° |
| C47 | N9 | C7 | C6 | 176.7° | 2.8° |
| C47 | N9 | C10 | C11 | 47.0° | 54.0° |
| C47 | N9 | C10 | H17 | 73.1° | 173.9° |
| C47 | N9 | C10 | H18 | 167.1° | 65.7° |
| N9 | C47 | C46 | H25 | 71.5° | 173.9° |
| N9 | C47 | C46 | H26 | 169.0° | 66.1° |
| N9 | C47 | H27 | H28 | 118.1° | 120.3° |
| C38 | C43 | C44 | H24 | 180.0° | 179.7° |
| C38 | C43 | C44 | CL4 | 179.2° | 180.0° |
| C38 | C43 | C44 | C35 | 1.1° | 0.6° |
| C43 | C38 | C37 | C36 | 0.7° | 0.1° |
| C43 | C38 | C37 | H16 | 179.3° | 179.9° |
| C43 | C44 | CL4 | C35 | 179.7° | 179.4° |
| C44 | C43 | C38 | C37 | 1.0° | 0.2° |
| C43 | C44 | C35 | C36 | 0.9° | 0.6° |
| C43 | C44 | C35 | N34 | 179.0° | 179.7° |
| CL4 | C44 | C35 | C36 | 179.4° | 180.0° |
| CL4 | C44 | C35 | N34 | 0.7° | 0.3° |
| CL4 | C44 | C43 | H24 | 0.8° | 0.3° |
| C38 | C37 | C36 | H16 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.6° | 0.0° |
| C38 | C37 | C36 | H15 | 179.4° | 180.0° |
| C37 | C38 | C43 | H24 | 179.1° | 180.0° |
| C46 | C12 | C13 | C16 | 119.9° | 118.9° |
| C46 | C12 | C13 | C11 | 123.0° | 122.1° |
| C46 | C12 | C16 | C11 | 120.7° | 122.6° |
| C46 | C12 | C16 | C17 | 57.1° | 44.5° |
| C46 | C12 | C13 | C14 | 124.0° | 144.4° |
| C46 | C12 | C16 | C15 | 123.3° | 135.4° |
| C46 | C12 | C11 | C10 | 55.3° | 60.2° |
| C46 | C12 | C11 | H5 | 65.3° | 59.7° |
| C46 | C12 | C11 | H6 | 175.9° | 179.8° |
| C46 | C12 | C13 | H19 | 4.8° | 26.3° |
| C12 | C46 | H25 | H26 | 119.1° | 120.0° |
| C12 | C46 | C47 | H27 | 71.8° | 173.7° |
| C12 | C46 | C47 | H28 | 169.4° | 65.8° |
| C46 | C12 | C13 | H30 | 116.8° | 97.4° |
| N9 | C7 | C6 | C48 | 108.8° | 171.6° |
| N9 | C7 | C6 | N5 | 72.6° | 8.5° |
| C7 | N9 | C10 | C11 | 132.4° | 125.9° |
| C7 | N9 | C10 | H17 | 107.5° | 6.1° |
| C7 | N9 | C10 | H18 | 12.3° | 114.4° |
| C7 | N9 | C47 | H27 | 107.4° | 6.1° |
| C7 | N9 | C47 | H28 | 11.4° | 114.4° |
| C6 | C7 | N9 | C10 | 3.8° | 177.2° |
| C7 | C6 | C48 | O49 | 0.4° | 0.0° |
| C7 | C6 | C48 | N5 | 178.6° | 180.0° |
| C7 | C6 | C48 | C2 | 179.3° | 180.0° |
| C7 | C6 | N5 | C4 | 179.7° | 179.8° |
| C44 | C35 | C36 | C37 | 0.7° | 0.3° |
| C44 | C35 | C36 | N34 | 180.0° | 179.7° |
| C44 | C35 | N34 | C32 | 60.5° | 155.6° |
| C44 | C35 | C36 | H15 | 179.3° | 179.7° |
| C44 | C35 | N34 | H23 | 119.5° | 24.5° |
| C35 | C44 | C43 | H24 | 178.9° | 179.7° |
| N9 | C10 | C11 | C12 | 50.6° | 53.9° |
| N9 | C10 | C11 | H17 | 120.1° | 119.8° |
| N9 | C10 | C11 | H18 | 120.1° | 119.8° |
| N9 | C10 | C11 | H5 | 70.0° | 66.0° |
| N9 | C10 | C11 | H6 | 171.2° | 174.0° |
| N9 | C10 | H17 | H18 | 119.7° | 120.4° |
| C10 | N9 | C47 | H27 | 73.2° | 173.8° |
| C10 | N9 | C47 | H28 | 168.1° | 65.7° |
| O49 | C48 | C6 | C2 | 179.7° | 180.0° |
| O49 | C48 | C6 | N5 | 179.0° | 180.0° |
| O49 | C48 | C2 | C1 | 0.4° | 0.0° |
| O49 | C48 | C2 | N3 | 179.6° | 179.8° |
| C48 | C6 | N5 | C4 | 1.0° | 0.2° |
| C6 | C48 | C2 | C1 | 179.9° | 180.0° |
| C6 | C48 | C2 | N3 | 0.1° | 0.2° |
| C6 | C48 | O49 | H29 | 180.0° | 90.0° |
| N5 | C6 | C48 | C2 | 0.7° | 0.0° |
| C6 | N5 | C4 | N3 | 0.7° | 0.2° |
| C6 | N5 | C4 | H4 | 179.3° | 179.8° |
| C48 | C2 | C1 | N3 | 180.0° | 179.8° |
| C48 | C2 | N3 | C4 | 0.2° | 0.2° |
| C48 | C2 | C1 | H1 | 180.0° | 90.3° |
| C48 | C2 | C1 | H2 | 60.0° | 29.7° |
| C48 | C2 | C1 | H3 | 60.0° | 149.7° |
| C2 | C48 | O49 | H29 | 0.3° | 89.9° |
| O33 | C32 | N34 | C35 | 2.7° | 5.3° |
| O33 | C32 | N34 | C31 | 178.0° | 179.9° |
| O33 | C32 | C31 | N30 | 10.5° | 0.0° |
| O33 | C32 | C31 | H13 | 109.6° | 120.0° |
| O33 | C32 | C31 | H14 | 130.6° | 120.1° |
| O33 | C32 | N34 | H23 | 177.3° | 174.8° |
| C37 | C36 | C35 | H15 | 180.0° | 180.0° |
| C37 | C36 | C35 | N34 | 179.3° | 180.0° |
| O18 | C17 | C16 | C12 | 0.7° | 0.0° |
| O18 | C17 | C16 | N19 | 179.3° | 180.0° |
| O18 | C17 | C16 | C15 | 179.7° | 179.9° |
| O18 | C17 | N19 | N20 | 0.1° | 0.1° |
| O18 | C17 | N19 | C29 | 179.9° | 180.0° |
| C13 | C12 | C16 | C11 | 119.2° | 118.7° |
| C13 | C12 | C16 | C17 | 177.1° | 163.2° |
| C12 | C13 | C14 | H19 | 119.2° | 118.1° |
| C12 | C13 | C14 | H30 | 119.2° | 118.1° |
| C13 | C12 | C16 | C15 | 3.3° | 16.8° |
| C13 | C12 | C11 | C10 | 67.3° | 61.5° |
| C12 | C13 | C14 | C15 | 3.5° | 25.5° |
| C13 | C12 | C11 | H5 | 172.1° | 178.6° |
| C13 | C12 | C11 | H6 | 53.3° | 58.6° |
| C12 | C13 | H19 | H30 | 122.5° | 123.7° |
| C12 | C13 | C14 | H20 | 123.1° | 93.4° |
| C13 | C12 | C46 | H25 | 169.6° | 58.5° |
| C13 | C12 | C46 | H26 | 50.2° | 178.5° |
| C12 | C13 | C14 | H31 | 116.0° | 144.3° |
| C12 | C16 | C17 | C15 | 179.6° | 179.9° |
| C12 | C16 | C17 | N19 | 179.9° | 180.0° |
| C16 | C12 | C13 | C14 | 4.1° | 25.5° |
| C16 | C12 | C11 | C10 | 175.6° | 177.4° |
| C12 | C16 | C15 | C14 | 1.0° | 0.1° |
| C12 | C16 | C15 | N30 | 179.4° | 179.9° |
| C16 | C12 | C11 | H5 | 55.0° | 62.7° |
| C16 | C12 | C11 | H6 | 63.8° | 57.3° |
| C16 | C12 | C13 | H19 | 115.1° | 92.7° |
| C16 | C12 | C46 | H25 | 51.3° | 57.4° |
| C16 | C12 | C46 | H26 | 68.1° | 62.6° |
| C16 | C12 | C13 | H30 | 123.3° | 143.7° |
| C11 | C12 | C16 | C17 | 63.7° | 78.1° |
| C11 | C12 | C13 | C14 | 113.0° | 93.5° |
| C11 | C12 | C16 | C15 | 115.9° | 102.0° |
| C12 | C11 | C10 | H5 | 120.6° | 120.0° |
| C12 | C11 | C10 | H6 | 120.6° | 120.1° |
| C12 | C11 | H5 | H6 | 118.1° | 120.1° |
| C12 | C11 | C10 | H17 | 69.5° | 173.8° |
| C12 | C11 | C10 | H18 | 170.7° | 65.9° |
| C11 | C12 | C13 | H19 | 127.8° | 148.3° |
| C11 | C12 | C46 | H25 | 67.4° | 179.8° |
| C11 | C12 | C46 | H26 | 173.2° | 59.8° |
| C11 | C12 | C13 | H30 | 6.1° | 24.7° |
| N5 | C4 | N3 | C2 | 0.0° | 0.0° |
| N5 | C4 | N3 | H4 | 180.0° | 180.0° |
| C36 | C35 | N34 | C32 | 119.4° | 24.0° |
| C35 | C36 | C37 | H16 | 179.4° | 180.0° |
| C36 | C35 | N34 | H23 | 60.6° | 155.8° |
| C35 | N34 | C32 | H23 | 180.0° | 179.9° |
| C35 | N34 | C32 | C31 | 179.4° | 174.7° |
| N34 | C35 | C36 | H15 | 0.7° | 0.0° |
| C16 | C17 | N19 | N20 | 179.4° | 179.9° |
| C16 | C17 | N19 | C29 | 0.8° | 0.0° |
| C17 | C16 | C15 | C14 | 179.3° | 180.0° |
| C17 | C16 | C15 | N30 | 0.2° | 0.0° |
| N19 | C17 | C16 | C15 | 0.5° | 0.1° |
| C17 | N19 | N20 | C29 | 179.8° | 179.9° |
| C17 | N19 | N20 | C21 | 179.7° | 179.9° |
| C17 | N19 | C29 | N30 | 0.4° | 0.2° |
| C17 | N19 | C29 | N28 | 179.6° | 179.9° |
| C13 | C14 | C15 | C16 | 1.7° | 16.8° |
| C13 | C14 | C15 | H20 | 119.6° | 118.9° |
| C13 | C14 | C15 | H31 | 119.6° | 118.9° |
| C13 | C14 | C15 | N30 | 177.8° | 163.2° |
| C14 | C13 | H19 | H30 | 122.5° | 123.8° |
| C13 | C14 | H20 | H31 | 121.3° | 122.2° |
| C16 | C15 | C14 | N30 | 179.5° | 180.0° |
| C16 | C15 | N30 | C29 | 0.7° | 0.2° |
| C16 | C15 | N30 | C31 | 178.0° | 179.9° |
| C16 | C15 | C14 | H20 | 121.3° | 102.0° |
| C16 | C15 | C14 | H31 | 117.9° | 135.7° |
| C1 | C2 | N3 | C4 | 179.8° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N3 | C2 | C1 | H1 | 0.0° | 90.0° |
| N3 | C2 | C1 | H2 | 120.0° | 150.1° |
| N3 | C2 | C1 | H3 | 120.0° | 30.0° |
| C2 | N3 | C4 | H4 | 180.0° | 180.0° |
| C10 | C11 | H5 | H6 | 118.1° | 120.0° |
| C11 | C10 | H17 | H18 | 119.8° | 120.3° |
| N19 | N20 | C21 | N22 | 178.4° | 179.9° |
| N19 | N20 | C21 | N28 | 0.0° | 0.1° |
| N20 | N19 | C29 | N30 | 179.8° | 179.9° |
| N20 | N19 | C29 | N28 | 0.2° | 0.0° |
| C21 | N20 | N19 | C29 | 0.1° | 0.0° |
| N20 | C21 | N22 | C23 | 7.4° | 123.6° |
| N20 | C21 | N22 | N28 | 178.1° | 180.0° |
| N20 | C21 | N28 | C29 | 0.2° | 0.0° |
| N20 | C21 | N22 | C27 | 148.1° | 0.0° |
| N19 | C29 | N30 | C15 | 0.4° | 0.2° |
| N19 | C29 | N28 | C21 | 0.2° | 0.0° |
| N19 | C29 | N30 | N28 | 180.0° | 179.9° |
| N19 | C29 | N30 | C31 | 177.8° | 179.8° |
| N34 | C32 | C31 | N30 | 167.5° | 180.0° |
| N34 | C32 | C31 | H13 | 72.4° | 60.0° |
| N34 | C32 | C31 | H14 | 47.4° | 60.0° |
| C32 | C31 | N30 | C15 | 91.9° | 90.0° |
| C32 | C31 | N30 | C29 | 85.4° | 89.9° |
| C32 | C31 | N30 | H13 | 120.1° | 120.0° |
| C32 | C31 | N30 | H14 | 120.1° | 120.0° |
| C32 | C31 | H13 | H14 | 119.6° | 119.9° |
| C31 | C32 | N34 | H23 | 0.6° | 5.1° |
| C14 | C15 | N30 | C29 | 178.8° | 179.8° |
| C14 | C15 | N30 | C31 | 1.5° | 0.1° |
| C15 | C14 | C13 | H19 | 115.7° | 92.7° |
| C15 | C14 | H20 | H31 | 121.3° | 122.2° |
| C15 | C14 | C13 | H30 | 122.7° | 143.6° |
| C15 | N30 | C29 | C31 | 177.4° | 179.9° |
| C15 | N30 | C29 | N28 | 179.6° | 179.8° |
| C15 | N30 | C31 | H13 | 147.9° | 30.0° |
| C15 | N30 | C31 | H14 | 28.2° | 150.0° |
| N30 | C15 | C14 | H20 | 58.2° | 77.9° |
| N30 | C15 | C14 | H31 | 62.6° | 44.3° |
| C23 | C24 | O25 | H9 | 119.9° | 119.9° |
| C23 | C24 | O25 | H10 | 119.9° | 120.0° |
| C24 | C23 | N22 | H7 | 120.1° | 119.9° |
| C24 | C23 | N22 | H8 | 120.1° | 120.0° |
| C24 | C23 | N22 | C21 | 168.9° | 177.6° |
| C24 | C23 | N22 | C27 | 50.2° | 58.6° |
| C23 | C24 | O25 | C26 | 62.4° | 58.7° |
| C24 | C23 | H7 | H8 | 119.6° | 120.2° |
| C23 | C24 | H9 | H10 | 120.4° | 120.1° |
| O25 | C24 | C23 | N22 | 53.0° | 56.9° |
| C24 | O25 | C26 | C27 | 62.4° | 58.7° |
| O25 | C24 | C23 | H7 | 173.1° | 63.0° |
| O25 | C24 | C23 | H8 | 67.1° | 176.8° |
| O25 | C24 | H9 | H10 | 120.4° | 120.1° |
| C24 | O25 | C26 | H21 | 177.7° | 178.6° |
| C24 | O25 | C26 | H22 | 57.5° | 61.3° |
| C23 | N22 | C21 | C27 | 140.7° | 123.6° |
| C23 | N22 | C21 | N28 | 174.4° | 56.4° |
| C23 | N22 | C27 | C26 | 50.0° | 58.6° |
| N22 | C23 | H7 | H8 | 119.7° | 120.0° |
| N22 | C23 | C24 | H9 | 172.9° | 176.8° |
| N22 | C23 | C24 | H10 | 66.9° | 63.1° |
| C23 | N22 | C27 | H11 | 170.1° | 178.6° |
| C23 | N22 | C27 | H12 | 70.0° | 61.4° |
| N22 | C21 | N28 | C29 | 178.3° | 179.9° |
| C21 | N22 | C27 | C26 | 169.0° | 177.6° |
| C21 | N22 | C23 | H7 | 48.8° | 62.5° |
| C21 | N22 | C23 | H8 | 71.0° | 57.6° |
| C21 | N22 | C27 | H11 | 48.9° | 57.7° |
| C21 | N22 | C27 | H12 | 70.9° | 62.4° |
| C21 | N28 | C29 | N30 | 179.8° | 179.9° |
| N28 | C21 | N22 | C27 | 33.7° | 180.0° |
| C29 | N30 | C31 | H13 | 34.7° | 150.1° |
| C29 | N30 | C31 | H14 | 154.4° | 30.1° |
| N28 | C29 | N30 | C31 | 2.2° | 0.1° |
| N30 | C31 | H13 | H14 | 119.6° | 120.1° |
| N22 | C27 | C26 | O25 | 52.9° | 56.9° |
| N22 | C27 | C26 | H11 | 120.1° | 119.9° |
| N22 | C27 | C26 | H12 | 120.1° | 120.0° |
| C27 | N22 | C23 | H7 | 170.3° | 61.3° |
| C27 | N22 | C23 | H8 | 69.8° | 178.6° |
| N22 | C27 | H11 | H12 | 119.8° | 120.1° |
| N22 | C27 | C26 | H21 | 172.8° | 176.7° |
| N22 | C27 | C26 | H22 | 67.0° | 63.1° |
| O25 | C26 | C27 | H21 | 119.9° | 119.8° |
| O25 | C26 | C27 | H22 | 119.9° | 119.9° |
| C26 | O25 | C24 | H9 | 177.8° | 178.6° |
| C26 | O25 | C24 | H10 | 57.5° | 61.3° |
| O25 | C26 | C27 | H11 | 173.0° | 176.8° |
| O25 | C26 | C27 | H12 | 67.2° | 63.1° |
| O25 | C26 | H21 | H22 | 120.3° | 120.1° |
| C26 | C27 | H11 | H12 | 119.8° | 120.1° |
| C27 | C26 | H21 | H22 | 120.3° | 120.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H5 | C11 | C10 | H17 | 169.9° | 53.8° |
| H5 | C11 | C10 | H18 | 50.1° | 174.2° |
| H6 | C11 | C10 | H17 | 51.1° | 66.2° |
| H6 | C11 | C10 | H18 | 68.7° | 54.2° |
| H7 | C23 | C24 | H9 | 67.0° | 56.9° |
| H7 | C23 | C24 | H10 | 53.2° | 177.0° |
| H8 | C23 | C24 | H9 | 52.8° | 63.3° |
| H8 | C23 | C24 | H10 | 173.0° | 56.8° |
| H11 | C27 | C26 | H21 | 67.2° | 63.3° |
| H11 | C27 | C26 | H22 | 53.0° | 56.9° |
| H12 | C27 | C26 | H21 | 52.7° | 56.8° |
| H12 | C27 | C26 | H22 | 172.9° | 177.0° |
| H15 | C36 | C37 | H16 | 0.6° | 0.0° |
| H19 | C13 | C14 | H20 | 3.9° | 148.4° |
| H19 | C13 | C14 | H31 | 124.8° | 26.2° |
| H20 | C14 | C13 | H30 | 117.7° | 24.7° |
| H25 | C46 | C47 | H27 | 167.9° | 66.4° |
| H25 | C46 | C47 | H28 | 49.1° | 54.1° |
| H26 | C46 | C47 | H27 | 48.5° | 53.7° |
| H26 | C46 | C47 | H28 | 70.3° | 174.2° |
| H30 | C13 | C14 | H31 | 3.1° | 97.6° |
