XR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N6 | sing | 1.47Å | 1.45Å | |
| N6 | C5 | sing | 1.47Å | 1.49Å | |
| N6 | C1 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.56Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C4 | N3 | sing | 1.47Å | 1.50Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| N3 | C11 | sing | 1.40Å | 1.30Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C13 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | N21 | sing | 1.46Å | 1.46Å | |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C8 | N14 | sing | 1.40Å | 1.31Å | |
| O27 | C22 | doub | 1.22Å | 1.22Å | |
| N21 | C22 | sing | 1.35Å | 1.45Å | |
| N21 | C18 | sing | 1.37Å | 1.42Å | |
| C22 | C23 | sing | 1.47Å | 1.52Å | |
| N17 | C18 | doub | 1.33Å | 1.36Å | Aromatic |
| N17 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| N14 | C16 | sing | 1.38Å | 1.28Å | |
| C18 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N15 | doub | 1.33Å | 1.37Å | Aromatic |
| CL1 | C33 | sing | 1.74Å | 1.69Å | |
| C23 | C28 | sing | 1.48Å | 1.37Å | |
| C23 | C24 | doub | 1.37Å | 1.35Å | |
| C28 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C19 | C24 | sing | 1.41Å | 1.49Å | |
| C19 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| N15 | C20 | sing | 1.32Å | 1.37Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.43Å | Aromatic |
| C36 | N35 | sing | 1.31Å | 1.36Å | Aromatic |
| C36 | C37 | doub | 1.35Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | C37 | sing | 1.48Å | 1.51Å | |
| N35 | C34 | doub | 1.29Å | 1.32Å | Aromatic |
| C37 | S38 | sing | 1.76Å | 1.74Å | Aromatic |
| C34 | S38 | sing | 1.71Å | 1.71Å | Aromatic |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C36 | H7 | sing | 1.08Å | 1.08Å | |
| C34 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H13 | sing | 0.97Å | 1.00Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H25 | sing | 1.09Å | 1.10Å | |
| C7 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H28 | sing | 1.09Å | 1.10Å | |
| C1 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N6 | C5 | 108.9° | 111.0° |
| C7 | N6 | C1 | 108.1° | 111.0° |
| N6 | C7 | H25 | 109.5° | 109.5° |
| N6 | C7 | H26 | 109.4° | 109.5° |
| N6 | C7 | H27 | 109.5° | 109.5° |
| C5 | N6 | C1 | 106.4° | 110.9° |
| N6 | C5 | C4 | 115.9° | 109.4° |
| N6 | C5 | H22 | 107.8° | 109.5° |
| N6 | C5 | H23 | 107.8° | 109.5° |
| N6 | C1 | C2 | 111.8° | 109.4° |
| N6 | C1 | H28 | 108.9° | 109.5° |
| N6 | C1 | H29 | 108.9° | 109.5° |
| C5 | C4 | N3 | 119.3° | 109.3° |
| C5 | C4 | H20 | 107.0° | 109.5° |
| C5 | C4 | H21 | 107.0° | 109.5° |
| C4 | C5 | H22 | 107.9° | 109.5° |
| C4 | C5 | H23 | 107.9° | 109.5° |
| C1 | C2 | N3 | 116.4° | 109.3° |
| C1 | C2 | H18 | 107.7° | 109.5° |
| C1 | C2 | H19 | 107.7° | 109.5° |
| C2 | C1 | H28 | 108.9° | 109.5° |
| C2 | C1 | H29 | 108.9° | 109.5° |
| C4 | N3 | C2 | 109.8° | 110.9° |
| C4 | N3 | C11 | 126.2° | 111.0° |
| N3 | C4 | H20 | 106.9° | 109.5° |
| N3 | C4 | H21 | 107.0° | 109.5° |
| C2 | N3 | C11 | 123.5° | 111.0° |
| N3 | C2 | H18 | 107.7° | 109.6° |
| N3 | C2 | H19 | 107.7° | 109.4° |
| N3 | C11 | C12 | 123.0° | 120.0° |
| N3 | C11 | C10 | 119.6° | 120.0° |
| C12 | C11 | C10 | 117.3° | 120.0° |
| C11 | C12 | C13 | 122.4° | 120.0° |
| C11 | C12 | H15 | 118.8° | 120.0° |
| C11 | C10 | C9 | 120.6° | 120.0° |
| C11 | C10 | H16 | 119.7° | 119.9° |
| C12 | C13 | C8 | 119.5° | 120.0° |
| C12 | C13 | H14 | 120.2° | 120.0° |
| C13 | C12 | H15 | 118.8° | 120.0° |
| C10 | C9 | C8 | 122.5° | 120.0° |
| C9 | C10 | H16 | 119.7° | 120.0° |
| C10 | C9 | H17 | 118.8° | 120.0° |
| C26 | C25 | N21 | 106.9° | 109.5° |
| C25 | C26 | H1 | 109.5° | 109.4° |
| C25 | C26 | H2 | 109.5° | 109.4° |
| C25 | C26 | H3 | 109.5° | 109.4° |
| C26 | C25 | H4 | 110.1° | 109.4° |
| C26 | C25 | H5 | 110.1° | 109.5° |
| C13 | C8 | C9 | 117.7° | 120.0° |
| C13 | C8 | N14 | 125.2° | 120.0° |
| C8 | C13 | H14 | 120.2° | 120.0° |
| C25 | N21 | C22 | 119.7° | 119.7° |
| C25 | N21 | C18 | 120.2° | 119.6° |
| N21 | C25 | H4 | 110.1° | 109.5° |
| N21 | C25 | H5 | 110.1° | 109.5° |
| C9 | C8 | N14 | 117.1° | 120.0° |
| C8 | C9 | H17 | 118.7° | 120.0° |
| C8 | N14 | C16 | 131.6° | 120.0° |
| C8 | N14 | H13 | 114.2° | 120.0° |
| O27 | C22 | N21 | 122.4° | 119.9° |
| O27 | C22 | C23 | 121.1° | 119.8° |
| C22 | N21 | C18 | 119.9° | 120.7° |
| N21 | C22 | C23 | 116.5° | 120.3° |
| N21 | C18 | N17 | 115.5° | 120.9° |
| N21 | C18 | C19 | 122.1° | 120.4° |
| C22 | C23 | C28 | 116.2° | 120.3° |
| C22 | C23 | C24 | 122.6° | 119.4° |
| C18 | N17 | C16 | 118.7° | 120.6° |
| N17 | C18 | C19 | 122.3° | 118.7° |
| N17 | C16 | N14 | 117.2° | 118.8° |
| N17 | C16 | N15 | 124.7° | 122.4° |
| N14 | C16 | N15 | 118.1° | 118.8° |
| C16 | N14 | H13 | 114.2° | 120.0° |
| C18 | C19 | C24 | 119.7° | 120.2° |
| C18 | C19 | C20 | 114.3° | 118.6° |
| C16 | N15 | C20 | 115.2° | 121.2° |
| CL1 | C33 | C28 | 119.4° | 120.0° |
| CL1 | C33 | C32 | 122.1° | 120.0° |
| C28 | C23 | C24 | 121.2° | 120.3° |
| C23 | C28 | C33 | 123.3° | 120.0° |
| C23 | C28 | C29 | 116.9° | 120.0° |
| C23 | C24 | C19 | 118.9° | 119.0° |
| C23 | C24 | H11 | 120.6° | 120.5° |
| C33 | C28 | C29 | 119.7° | 120.0° |
| C28 | C33 | C32 | 118.5° | 120.0° |
| C28 | C29 | C30 | 121.4° | 120.0° |
| C28 | C29 | H10 | 119.3° | 120.0° |
| C24 | C19 | C20 | 125.9° | 121.2° |
| C19 | C24 | H11 | 120.5° | 120.5° |
| C19 | C20 | N15 | 124.7° | 118.6° |
| C19 | C20 | H12 | 117.7° | 120.7° |
| C33 | C32 | C31 | 121.6° | 120.0° |
| C33 | C32 | H6 | 119.2° | 120.0° |
| N15 | C20 | H12 | 117.6° | 120.7° |
| C29 | C30 | C31 | 119.2° | 120.1° |
| C29 | C30 | H9 | 120.4° | 120.0° |
| C30 | C29 | H10 | 119.3° | 120.0° |
| C32 | C31 | C30 | 119.6° | 120.0° |
| C32 | C31 | C37 | 118.4° | 120.0° |
| C31 | C32 | H6 | 119.2° | 120.0° |
| N35 | C36 | C37 | 115.5° | 114.2° |
| C36 | N35 | C34 | 112.1° | 117.3° |
| N35 | C36 | H7 | 122.3° | 122.9° |
| C36 | C37 | C31 | 122.4° | 126.1° |
| C36 | C37 | S38 | 107.9° | 107.8° |
| C37 | C36 | H7 | 122.3° | 122.9° |
| C30 | C31 | C37 | 121.9° | 120.0° |
| C31 | C30 | H9 | 120.4° | 120.0° |
| C31 | C37 | S38 | 129.7° | 126.1° |
| N35 | C34 | S38 | 113.9° | 110.4° |
| N35 | C34 | H8 | 123.1° | 124.8° |
| C37 | S38 | C34 | 90.6° | 90.3° |
| S38 | C34 | H8 | 123.0° | 124.8° |
| H1 | C26 | H2 | 109.5° | 109.5° |
| H1 | C26 | H3 | 109.4° | 109.5° |
| H2 | C26 | H3 | 109.5° | 109.6° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H18 | C2 | H19 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.5° | 109.4° |
| H25 | C7 | H26 | 109.5° | 109.4° |
| H25 | C7 | H27 | 109.4° | 109.5° |
| H26 | C7 | H27 | 109.5° | 109.4° |
| H28 | C1 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N6 | C5 | C1 | 116.3° | 123.9° |
| C7 | N6 | C5 | C4 | 167.2° | 176.8° |
| C7 | N6 | C1 | C2 | 177.3° | 176.8° |
| C7 | N6 | C5 | H22 | 46.2° | 56.8° |
| C7 | N6 | C5 | H23 | 71.9° | 63.2° |
| N6 | C7 | H25 | H26 | 120.0° | 120.0° |
| N6 | C7 | H25 | H27 | 120.0° | 120.0° |
| N6 | C7 | H26 | H27 | 120.0° | 120.0° |
| C7 | N6 | C1 | H28 | 62.4° | 63.2° |
| C7 | N6 | C1 | H29 | 56.9° | 56.9° |
| N6 | C5 | C4 | H22 | 120.9° | 119.9° |
| N6 | C5 | C4 | H23 | 120.9° | 120.0° |
| C5 | N6 | C1 | C2 | 60.4° | 59.3° |
| N6 | C5 | C4 | N3 | 38.8° | 58.4° |
| N6 | C5 | C4 | H20 | 160.2° | 61.6° |
| N6 | C5 | C4 | H21 | 82.5° | 178.4° |
| N6 | C5 | H22 | H23 | 117.0° | 120.0° |
| C5 | N6 | C7 | H25 | 180.0° | 60.0° |
| C5 | N6 | C7 | H26 | 60.0° | 180.0° |
| C5 | N6 | C7 | H27 | 60.0° | 60.0° |
| C5 | N6 | C1 | H28 | 179.2° | 60.7° |
| C5 | N6 | C1 | H29 | 59.9° | 179.3° |
| C1 | N6 | C5 | C4 | 50.9° | 59.3° |
| N6 | C1 | C2 | H28 | 120.3° | 120.0° |
| N6 | C1 | C2 | H29 | 120.4° | 120.0° |
| N6 | C1 | C2 | N3 | 60.2° | 58.4° |
| N6 | C1 | C2 | H18 | 60.8° | 178.4° |
| N6 | C1 | C2 | H19 | 178.7° | 61.6° |
| C1 | N6 | C5 | H22 | 70.0° | 179.3° |
| C1 | N6 | C5 | H23 | 171.9° | 60.7° |
| C1 | N6 | C7 | H25 | 64.8° | 63.7° |
| C1 | N6 | C7 | H26 | 175.2° | 56.2° |
| C1 | N6 | C7 | H27 | 55.2° | 176.2° |
| N6 | C1 | H28 | H29 | 119.0° | 120.1° |
| C5 | C4 | N3 | H20 | 121.4° | 119.9° |
| C5 | C4 | N3 | H21 | 121.4° | 120.0° |
| C5 | C4 | N3 | C2 | 31.4° | 59.3° |
| C5 | C4 | N3 | C11 | 156.8° | 176.8° |
| C5 | C4 | H20 | H21 | 115.6° | 120.1° |
| C4 | C5 | H22 | H23 | 117.1° | 120.1° |
| C1 | C2 | N3 | C4 | 41.5° | 59.3° |
| C1 | C2 | N3 | H18 | 121.0° | 120.0° |
| C1 | C2 | N3 | H19 | 121.0° | 119.9° |
| C1 | C2 | N3 | C11 | 146.4° | 176.8° |
| C1 | C2 | H18 | H19 | 116.8° | 120.1° |
| C2 | C1 | H28 | H29 | 118.9° | 120.0° |
| C4 | N3 | C2 | C11 | 172.1° | 123.9° |
| C4 | N3 | C11 | C12 | 59.2° | 56.2° |
| C4 | N3 | C11 | C10 | 117.9° | 123.8° |
| C4 | N3 | C2 | H18 | 79.5° | 179.3° |
| C4 | N3 | C2 | H19 | 162.5° | 60.7° |
| N3 | C4 | H20 | H21 | 115.6° | 120.1° |
| N3 | C4 | C5 | H22 | 82.1° | 178.3° |
| N3 | C4 | C5 | H23 | 159.8° | 61.7° |
| C2 | N3 | C11 | C12 | 111.5° | 179.9° |
| C2 | N3 | C11 | C10 | 71.3° | 0.1° |
| N3 | C2 | H18 | H19 | 116.9° | 120.0° |
| C2 | N3 | C4 | H20 | 152.8° | 60.6° |
| C2 | N3 | C4 | H21 | 90.0° | 179.3° |
| N3 | C2 | C1 | H28 | 179.4° | 61.7° |
| N3 | C2 | C1 | H29 | 60.1° | 178.3° |
| N3 | C11 | C12 | C10 | 177.2° | 180.0° |
| N3 | C11 | C12 | C13 | 175.5° | 179.9° |
| N3 | C11 | C10 | C9 | 176.3° | 179.8° |
| N3 | C11 | C12 | H15 | 4.5° | 0.0° |
| N3 | C11 | C10 | H16 | 3.7° | 0.0° |
| C11 | N3 | C2 | H18 | 92.6° | 56.8° |
| C11 | N3 | C2 | H19 | 25.5° | 63.2° |
| C11 | N3 | C4 | H20 | 35.4° | 63.3° |
| C11 | N3 | C4 | H21 | 81.8° | 56.8° |
| C11 | C12 | C13 | H15 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.0° | 0.2° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H14 | 179.4° | 180.0° |
| C12 | C11 | C10 | H16 | 179.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.7° | 0.0° |
| C11 | C10 | C9 | H16 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 0.8° | 0.5° |
| C10 | C11 | C12 | H15 | 178.3° | 180.0° |
| C11 | C10 | C9 | H17 | 179.2° | 180.0° |
| C12 | C13 | C8 | H14 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 1.2° | 0.3° |
| C12 | C13 | C8 | N14 | 178.3° | 180.0° |
| C10 | C9 | C8 | C13 | 2.0° | 0.5° |
| C10 | C9 | C8 | H17 | 180.0° | 179.5° |
| C10 | C9 | C8 | N14 | 177.6° | 179.7° |
| C26 | C25 | N21 | H4 | 119.6° | 119.9° |
| C26 | C25 | N21 | H5 | 119.6° | 120.0° |
| C26 | C25 | N21 | C22 | 90.9° | 90.0° |
| C26 | C25 | N21 | C18 | 93.1° | 90.3° |
| C25 | C26 | H1 | H2 | 120.0° | 119.9° |
| C25 | C26 | H1 | H3 | 120.0° | 119.9° |
| C25 | C26 | H2 | H3 | 120.0° | 120.0° |
| C26 | C25 | H4 | H5 | 121.2° | 120.0° |
| C13 | C8 | C9 | N14 | 179.6° | 179.7° |
| C13 | C8 | N14 | C16 | 34.9° | 146.4° |
| C13 | C8 | N14 | H13 | 145.1° | 33.7° |
| C8 | C13 | C12 | H15 | 179.4° | 180.0° |
| C13 | C8 | C9 | H17 | 178.0° | 180.0° |
| C25 | N21 | C22 | O27 | 1.3° | 0.0° |
| C25 | N21 | C22 | C18 | 176.0° | 179.7° |
| C25 | N21 | C22 | C23 | 180.0° | 179.9° |
| C25 | N21 | C18 | N17 | 0.6° | 0.1° |
| C25 | N21 | C18 | C19 | 179.7° | 179.8° |
| N21 | C25 | C26 | H1 | 180.0° | 60.0° |
| N21 | C25 | C26 | H2 | 60.0° | 60.0° |
| N21 | C25 | C26 | H3 | 60.0° | 179.9° |
| N21 | C25 | H4 | H5 | 121.2° | 120.1° |
| C9 | C8 | N14 | C16 | 144.6° | 33.9° |
| C9 | C8 | N14 | H13 | 35.3° | 146.1° |
| C9 | C8 | C13 | H14 | 178.8° | 179.7° |
| C8 | C9 | C10 | H16 | 179.2° | 179.7° |
| C8 | N14 | C16 | N17 | 7.3° | 174.4° |
| C8 | N14 | C16 | H13 | 180.0° | 180.0° |
| C8 | N14 | C16 | N15 | 171.5° | 6.5° |
| N14 | C8 | C13 | H14 | 1.7° | 0.0° |
| N14 | C8 | C9 | H17 | 2.4° | 0.3° |
| O27 | C22 | N21 | C23 | 178.7° | 179.9° |
| O27 | C22 | N21 | C18 | 177.3° | 179.6° |
| O27 | C22 | C23 | C28 | 2.1° | 0.1° |
| O27 | C22 | C23 | C24 | 178.2° | 179.9° |
| C22 | N21 | C18 | N17 | 176.6° | 179.7° |
| C22 | N21 | C18 | C19 | 3.7° | 0.6° |
| N21 | C22 | C23 | C28 | 176.6° | 180.0° |
| N21 | C22 | C23 | C24 | 3.1° | 0.1° |
| C22 | N21 | C25 | H4 | 149.5° | 29.9° |
| C22 | N21 | C25 | H5 | 28.7° | 150.0° |
| C18 | N21 | C22 | C23 | 3.9° | 0.2° |
| N21 | C18 | N17 | C19 | 179.7° | 179.7° |
| N21 | C18 | N17 | C16 | 176.9° | 179.1° |
| N21 | C18 | C19 | C24 | 2.2° | 0.6° |
| N21 | C18 | C19 | C20 | 178.2° | 179.6° |
| C18 | N21 | C25 | H4 | 26.5° | 149.8° |
| C18 | N21 | C25 | H5 | 147.3° | 29.7° |
| C22 | C23 | C28 | C24 | 179.7° | 180.0° |
| C22 | C23 | C28 | C33 | 76.5° | 105.1° |
| C22 | C23 | C28 | C29 | 101.4° | 74.7° |
| C22 | C23 | C24 | C19 | 1.7° | 0.0° |
| C22 | C23 | C24 | H11 | 178.3° | 179.9° |
| C18 | N17 | C16 | N14 | 176.7° | 180.0° |
| C18 | N17 | C16 | N15 | 2.1° | 0.9° |
| N17 | C18 | C19 | C24 | 178.2° | 179.7° |
| N17 | C18 | C19 | C20 | 1.5° | 0.1° |
| N17 | C16 | N14 | N15 | 178.8° | 179.1° |
| C16 | N17 | C18 | C19 | 2.8° | 0.6° |
| N17 | C16 | N15 | C20 | 0.0° | 0.6° |
| N17 | C16 | N14 | H13 | 172.7° | 5.5° |
| N14 | C16 | N15 | C20 | 178.7° | 179.7° |
| C18 | C19 | C24 | C23 | 1.1° | 0.3° |
| C18 | C19 | C24 | C20 | 179.6° | 179.8° |
| C18 | C19 | C20 | N15 | 0.7° | 0.2° |
| C18 | C19 | C24 | H11 | 178.8° | 179.8° |
| C18 | C19 | C20 | H12 | 179.3° | 179.7° |
| C16 | N15 | C20 | C19 | 1.4° | 0.0° |
| C16 | N15 | C20 | H12 | 178.6° | 180.0° |
| N15 | C16 | N14 | H13 | 8.5° | 173.6° |
| CL1 | C33 | C28 | C23 | 1.8° | 0.0° |
| CL1 | C33 | C28 | C32 | 178.3° | 179.8° |
| CL1 | C33 | C28 | C29 | 179.7° | 179.7° |
| CL1 | C33 | C32 | C31 | 179.3° | 180.0° |
| CL1 | C33 | C32 | H6 | 0.8° | 0.1° |
| C23 | C28 | C33 | C29 | 177.8° | 179.7° |
| C28 | C23 | C24 | C19 | 178.0° | 180.0° |
| C23 | C28 | C33 | C32 | 179.9° | 179.8° |
| C23 | C28 | C29 | C30 | 178.9° | 179.7° |
| C23 | C28 | C29 | H10 | 1.0° | 0.0° |
| C28 | C23 | C24 | H11 | 2.0° | 0.1° |
| C24 | C23 | C28 | C33 | 103.7° | 75.0° |
| C24 | C23 | C28 | C29 | 78.4° | 105.3° |
| C23 | C24 | C19 | H11 | 180.0° | 179.9° |
| C23 | C24 | C19 | C20 | 179.2° | 180.0° |
| C33 | C28 | C29 | C30 | 1.0° | 0.5° |
| C28 | C33 | C32 | C31 | 1.1° | 0.2° |
| C28 | C33 | C32 | H6 | 179.0° | 179.7° |
| C33 | C28 | C29 | H10 | 179.0° | 179.7° |
| C29 | C28 | C33 | C32 | 2.1° | 0.5° |
| C28 | C29 | C30 | H10 | 180.0° | 179.8° |
| C28 | C29 | C30 | C31 | 1.2° | 0.3° |
| C28 | C29 | C30 | H9 | 178.8° | 179.7° |
| C24 | C19 | C20 | N15 | 179.7° | 180.0° |
| C24 | C19 | C20 | H12 | 0.3° | 0.1° |
| C19 | C20 | N15 | H12 | 180.0° | 179.9° |
| C20 | C19 | C24 | H11 | 0.8° | 0.0° |
| C33 | C32 | C31 | H6 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 1.1° | 0.1° |
| C33 | C32 | C31 | C37 | 177.2° | 179.9° |
| C29 | C30 | C31 | C32 | 2.2° | 0.0° |
| C29 | C30 | C31 | H9 | 180.0° | 180.0° |
| C29 | C30 | C31 | C37 | 176.0° | 180.0° |
| C32 | C31 | C37 | C36 | 46.2° | 179.7° |
| C32 | C31 | C30 | C37 | 178.2° | 180.0° |
| C32 | C31 | C37 | S38 | 132.1° | 0.0° |
| C32 | C31 | C30 | H9 | 177.8° | 180.0° |
| N35 | C36 | C37 | H7 | 180.0° | 180.0° |
| N35 | C36 | C37 | C31 | 179.4° | 180.0° |
| N35 | C36 | C37 | S38 | 0.8° | 0.3° |
| C36 | N35 | C34 | S38 | 0.6° | 0.3° |
| C36 | N35 | C34 | H8 | 179.4° | 180.0° |
| C36 | C37 | C31 | C30 | 135.6° | 0.3° |
| C36 | C37 | C31 | S38 | 178.3° | 179.7° |
| C37 | C36 | N35 | C34 | 0.9° | 0.0° |
| C36 | C37 | S38 | C34 | 0.4° | 0.3° |
| C30 | C31 | C37 | S38 | 46.1° | 180.0° |
| C30 | C31 | C32 | H6 | 178.9° | 180.0° |
| C31 | C30 | C29 | H10 | 178.8° | 180.0° |
| C31 | C37 | S38 | C34 | 178.9° | 179.9° |
| C37 | C31 | C32 | H6 | 2.9° | 0.0° |
| C31 | C37 | C36 | H7 | 0.6° | 0.0° |
| C37 | C31 | C30 | H9 | 4.0° | 0.0° |
| N35 | C34 | S38 | C37 | 0.1° | 0.4° |
| N35 | C34 | S38 | H8 | 180.0° | 179.7° |
| C34 | N35 | C36 | H7 | 179.1° | 180.0° |
| S38 | C37 | C36 | H7 | 179.2° | 179.8° |
| C37 | S38 | C34 | H8 | 179.9° | 179.9° |
| H1 | C26 | H2 | H3 | 120.0° | 120.1° |
| H1 | C26 | C25 | H4 | 60.5° | 60.0° |
| H1 | C26 | C25 | H5 | 60.4° | 180.0° |
| H2 | C26 | C25 | H4 | 59.6° | 180.0° |
| H2 | C26 | C25 | H5 | 179.6° | 60.1° |
| H3 | C26 | C25 | H4 | 179.6° | 60.0° |
| H3 | C26 | C25 | H5 | 59.6° | 60.0° |
| H9 | C30 | C29 | H10 | 1.2° | 0.0° |
| H14 | C13 | C12 | H15 | 0.6° | 0.1° |
| H16 | C10 | C9 | H17 | 0.9° | 0.3° |
| H18 | C2 | C1 | H28 | 59.6° | 58.4° |
| H18 | C2 | C1 | H29 | 178.9° | 61.6° |
| H19 | C2 | C1 | H28 | 58.4° | 178.4° |
| H19 | C2 | C1 | H29 | 60.9° | 58.4° |
| H20 | C4 | C5 | H22 | 39.3° | 58.4° |
| H20 | C4 | C5 | H23 | 78.8° | 178.4° |
| H21 | C4 | C5 | H22 | 156.5° | 61.7° |
| H21 | C4 | C5 | H23 | 38.4° | 58.4° |
| H25 | C7 | H26 | H27 | 120.0° | 120.0° |
