HOS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C24 | sing | 1.54Å | 1.55Å | |
| C2 | O1 | sing | 1.41Å | 1.45Å | |
| C2 | C3 | sing | 1.52Å | 1.56Å | |
| O1 | C1 | sing | 1.34Å | 1.36Å | |
| C1 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | O5 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.73Å | |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.59Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | N6 | sing | 1.47Å | 1.46Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| N6 | C28 | sing | 1.47Å | 1.47Å | |
| C6 | O3 | doub | 1.21Å | 1.24Å | |
| C6 | N2 | sing | 1.37Å | 1.34Å | |
| N2 | C5 | sing | 1.48Å | 1.46Å | |
| C5 | C25 | sing | 1.50Å | 1.51Å | |
| C5 | C4 | sing | 1.50Å | 1.50Å | |
| C25 | C27 | sing | 1.51Å | 1.52Å | |
| C25 | C26 | doub | 1.31Å | 1.38Å | |
| C4 | O2 | doub | 1.22Å | 1.22Å | |
| C4 | N1 | sing | 1.37Å | 1.33Å | |
| N1 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | C14 | sing | 1.51Å | 1.54Å | |
| C14 | O6 | doub | 1.21Å | 1.22Å | |
| C14 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C29 | sing | 1.47Å | 1.44Å | |
| N3 | C15 | sing | 1.47Å | 1.50Å | |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | doub | 1.30Å | 1.33Å | |
| C31 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.60Å | |
| C16 | O7 | doub | 1.21Å | 1.22Å | |
| C16 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C17 | sing | 1.40Å | 1.38Å | |
| C17 | C32 | doub | 1.34Å | 1.42Å | |
| C17 | C18 | sing | 1.47Å | 1.54Å | |
| C32 | C35 | sing | 1.51Å | 1.52Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C18 | O8 | doub | 1.22Å | 1.23Å | |
| C18 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C19 | sing | 1.38Å | 1.35Å | |
| C19 | C36 | sing | 1.48Å | 1.58Å | |
| C19 | C20 | doub | 1.35Å | 1.41Å | |
| C36 | O9 | doub | 1.21Å | 1.25Å | |
| C36 | O10 | sing | 1.35Å | 1.26Å | |
| C20 | C21 | sing | 1.47Å | 1.41Å | |
| C21 | O11 | sing | 1.35Å | 1.26Å | |
| C21 | O12 | doub | 1.22Å | 1.25Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.98Å | 1.00Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H26A | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C2 | 114.2° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H23A | 109.5° | 109.4° |
| C22 | C23 | H23B | 109.4° | 109.5° |
| C23 | C22 | H22 | 107.9° | 109.5° |
| C23 | C22 | H22A | 106.8° | 109.5° |
| C22 | C2 | C24 | 115.0° | 107.0° |
| C22 | C2 | O1 | 102.4° | 110.5° |
| C22 | C2 | C3 | 109.1° | 110.0° |
| C2 | C22 | H22 | 107.9° | 109.5° |
| C2 | C22 | H22A | 106.8° | 109.5° |
| C24 | C2 | O1 | 105.5° | 107.8° |
| C24 | C2 | C3 | 107.4° | 107.5° |
| C2 | C24 | H24 | 109.5° | 109.5° |
| C2 | C24 | H24A | 109.5° | 109.5° |
| C2 | C24 | H24B | 109.5° | 109.5° |
| O1 | C2 | C3 | 117.6° | 113.7° |
| C2 | O1 | C1 | 119.9° | 126.3° |
| C2 | C3 | N1 | 107.3° | 111.6° |
| C2 | C3 | C14 | 109.2° | 110.9° |
| C2 | C3 | H3 | 111.1° | 108.3° |
| O1 | C1 | C13 | 123.7° | 122.3° |
| O1 | C1 | C12 | 115.2° | 118.9° |
| C13 | C1 | C12 | 121.0° | 118.8° |
| C1 | C13 | C9 | 122.2° | 120.7° |
| C1 | C13 | H13 | 118.9° | 120.3° |
| C1 | C12 | O5 | 120.7° | 119.6° |
| C1 | C12 | C11 | 117.5° | 120.4° |
| C13 | C9 | C10 | 115.0° | 120.1° |
| C13 | C9 | C8 | 125.6° | 119.4° |
| C9 | C13 | H13 | 118.9° | 119.0° |
| O5 | C12 | C11 | 121.8° | 119.9° |
| C12 | O5 | HO5 | 109.5° | 114.0° |
| C12 | C11 | CL1 | 115.9° | 120.1° |
| C12 | C11 | C10 | 122.1° | 120.0° |
| CL1 | C11 | C10 | 122.0° | 119.9° |
| C11 | C10 | C9 | 122.1° | 119.9° |
| C11 | C10 | H10 | 118.9° | 119.7° |
| C10 | C9 | C8 | 119.5° | 120.4° |
| C9 | C10 | H10 | 119.0° | 120.4° |
| C9 | C8 | O4 | 112.4° | 109.7° |
| C9 | C8 | C7 | 111.7° | 109.8° |
| C9 | C8 | H8 | 105.9° | 109.3° |
| O4 | C8 | C7 | 109.6° | 109.5° |
| O4 | C8 | H8 | 108.2° | 109.2° |
| C8 | O4 | HO4 | 109.5° | 114.0° |
| C8 | C7 | N6 | 112.3° | 109.5° |
| C8 | C7 | C6 | 105.1° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.3° |
| C8 | C7 | H7 | 111.1° | 109.5° |
| N6 | C7 | C6 | 111.2° | 109.7° |
| C7 | N6 | C28 | 106.6° | 111.0° |
| N6 | C7 | H7 | 105.0° | 109.4° |
| C7 | N6 | HN6 | 110.4° | 111.0° |
| C7 | C6 | O3 | 120.9° | 119.3° |
| C7 | C6 | N2 | 111.2° | 118.1° |
| C6 | C7 | H7 | 112.2° | 109.2° |
| C28 | N6 | HN6 | 110.4° | 111.0° |
| N6 | C28 | H28 | 109.5° | 109.5° |
| N6 | C28 | H28A | 109.5° | 109.5° |
| N6 | C28 | H28B | 109.5° | 109.5° |
| O3 | C6 | N2 | 127.9° | 122.6° |
| C6 | N2 | C5 | 126.6° | 117.5° |
| C6 | N2 | HN2 | 116.7° | 121.8° |
| N2 | C5 | C25 | 112.8° | 111.7° |
| N2 | C5 | C4 | 102.4° | 110.5° |
| C5 | N2 | HN2 | 116.7° | 120.8° |
| N2 | C5 | H5 | 111.1° | 108.1° |
| C25 | C5 | C4 | 106.7° | 110.9° |
| C5 | C25 | C27 | 119.6° | 120.0° |
| C5 | C25 | C26 | 121.1° | 120.0° |
| C25 | C5 | H5 | 107.1° | 107.5° |
| C5 | C4 | O2 | 118.9° | 119.5° |
| C5 | C4 | N1 | 114.6° | 120.5° |
| C4 | C5 | H5 | 116.8° | 107.9° |
| C27 | C25 | C26 | 119.3° | 120.0° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.5° |
| C25 | C27 | H27B | 109.4° | 109.5° |
| C25 | C26 | H26 | 106.2° | 120.0° |
| C25 | C26 | H26A | 127.0° | 120.0° |
| O2 | C4 | N1 | 126.4° | 119.9° |
| C4 | N1 | C3 | 125.5° | 115.7° |
| C4 | N1 | HN1 | 117.3° | 122.1° |
| N1 | C3 | C14 | 109.6° | 110.2° |
| C3 | N1 | HN1 | 117.2° | 122.2° |
| N1 | C3 | H3 | 110.7° | 108.2° |
| C3 | C14 | O6 | 116.7° | 120.0° |
| C3 | C14 | N3 | 123.2° | 120.0° |
| C14 | C3 | H3 | 108.9° | 107.5° |
| O6 | C14 | N3 | 120.1° | 120.0° |
| C14 | N3 | C29 | 123.2° | 127.2° |
| C14 | N3 | C15 | 129.5° | 127.3° |
| C29 | N3 | C15 | 107.2° | 105.5° |
| N3 | C29 | C30 | 101.1° | 107.1° |
| N3 | C29 | H29 | 112.3° | 109.9° |
| N3 | C29 | H29A | 114.1° | 109.9° |
| N3 | C15 | C31 | 101.1° | 107.1° |
| N3 | C15 | C16 | 118.0° | 109.9° |
| N3 | C15 | H15 | 111.3° | 109.9° |
| C29 | C30 | C31 | 110.8° | 110.1° |
| C30 | C29 | H29 | 112.4° | 109.9° |
| C30 | C29 | H29A | 114.1° | 109.9° |
| C29 | C30 | H30 | 124.6° | 125.0° |
| C30 | C31 | C15 | 109.0° | 110.1° |
| C31 | C30 | H30 | 124.6° | 124.9° |
| C30 | C31 | H31 | 125.5° | 125.0° |
| C31 | C15 | C16 | 113.7° | 110.0° |
| C15 | C31 | H31 | 125.5° | 124.9° |
| C31 | C15 | H15 | 115.8° | 109.8° |
| C15 | C16 | O7 | 117.6° | 120.0° |
| C15 | C16 | N4 | 122.2° | 120.0° |
| C16 | C15 | H15 | 97.9° | 110.0° |
| O7 | C16 | N4 | 120.1° | 120.0° |
| C16 | N4 | C17 | 128.6° | 120.0° |
| C16 | N4 | HN4 | 115.7° | 120.0° |
| N4 | C17 | C32 | 128.4° | 120.0° |
| N4 | C17 | C18 | 117.1° | 119.9° |
| C17 | N4 | HN4 | 115.7° | 119.9° |
| C32 | C17 | C18 | 114.5° | 120.0° |
| C17 | C32 | C35 | 123.9° | 120.0° |
| C17 | C32 | C33 | 126.0° | 120.0° |
| C17 | C18 | O8 | 119.9° | 120.0° |
| C17 | C18 | N5 | 116.1° | 120.0° |
| C35 | C32 | C33 | 110.1° | 120.0° |
| C32 | C35 | H35 | 109.5° | 109.4° |
| C32 | C35 | H35A | 109.4° | 109.5° |
| C32 | C35 | H35B | 109.5° | 109.5° |
| C32 | C33 | C34 | 108.4° | 109.5° |
| C32 | C33 | H33 | 109.8° | 109.4° |
| C32 | C33 | H33A | 110.0° | 109.4° |
| C34 | C33 | H33 | 109.8° | 109.5° |
| C34 | C33 | H33A | 110.1° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H34A | 109.5° | 109.5° |
| C33 | C34 | H34B | 109.4° | 109.5° |
| O8 | C18 | N5 | 123.9° | 120.0° |
| C18 | N5 | C19 | 126.5° | 120.0° |
| C18 | N5 | HN5 | 116.7° | 120.0° |
| N5 | C19 | C36 | 118.2° | 120.0° |
| N5 | C19 | C20 | 117.7° | 120.0° |
| C19 | N5 | HN5 | 116.8° | 120.0° |
| C36 | C19 | C20 | 124.1° | 120.0° |
| C19 | C36 | O9 | 117.1° | 120.0° |
| C19 | C36 | O10 | 122.7° | 120.0° |
| C19 | C20 | C21 | 129.4° | 120.0° |
| C19 | C20 | H20 | 115.3° | 120.0° |
| O9 | C36 | O10 | 120.2° | 120.0° |
| C36 | O10 | HO10 | 109.5° | 117.0° |
| C20 | C21 | O11 | 117.6° | 120.0° |
| C20 | C21 | O12 | 120.0° | 120.0° |
| C21 | C20 | H20 | 115.3° | 119.9° |
| O11 | C21 | O12 | 122.4° | 120.0° |
| C21 | O11 | HO11 | 109.5° | 117.1° |
| H23 | C23 | H23A | 109.4° | 109.5° |
| H23 | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H22 | C22 | H22A | 113.3° | 109.5° |
| H24 | C24 | H24A | 109.4° | 109.4° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.4° |
| H26 | C26 | H26A | 126.9° | 120.0° |
| H29 | C29 | H29A | 103.2° | 110.0° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H33 | C33 | H33A | 108.7° | 109.5° |
| H34 | C34 | H34A | 109.4° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C2 | H22 | 120.0° | 120.0° |
| C23 | C22 | C2 | H22A | 117.9° | 120.0° |
| C23 | C22 | C2 | C24 | 126.6° | 55.0° |
| C23 | C22 | C2 | O1 | 12.6° | 62.2° |
| C23 | C22 | C2 | C3 | 112.7° | 171.5° |
| C22 | C23 | H23 | H23A | 120.0° | 120.0° |
| C22 | C23 | H23 | H23B | 120.0° | 120.0° |
| C22 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C22 | H22 | H22A | 118.0° | 120.0° |
| C22 | C2 | C24 | O1 | 112.1° | 118.9° |
| C22 | C2 | C24 | C3 | 121.7° | 118.1° |
| C22 | C2 | O1 | C3 | 119.5° | 124.3° |
| C22 | C2 | O1 | C1 | 127.1° | 82.1° |
| C22 | C2 | C3 | N1 | 173.3° | 44.4° |
| C22 | C2 | C3 | C14 | 54.6° | 167.7° |
| C2 | C22 | C23 | H23 | 106.9° | 60.0° |
| C2 | C22 | C23 | H23A | 133.1° | 180.0° |
| C2 | C22 | C23 | H23B | 13.1° | 60.0° |
| C2 | C22 | H22 | H22A | 118.0° | 120.0° |
| C22 | C2 | C24 | H24 | 8.3° | 55.8° |
| C22 | C2 | C24 | H24A | 128.2° | 175.8° |
| C22 | C2 | C24 | H24B | 111.7° | 64.3° |
| C22 | C2 | C3 | H3 | 65.5° | 74.6° |
| C24 | C2 | O1 | C3 | 119.7° | 119.1° |
| C24 | C2 | O1 | C1 | 112.1° | 161.2° |
| C24 | C2 | C3 | N1 | 48.0° | 160.6° |
| C24 | C2 | C3 | C14 | 70.7° | 76.1° |
| C24 | C2 | C22 | H22 | 113.5° | 175.0° |
| C24 | C2 | C22 | H22A | 8.7° | 65.0° |
| C2 | C24 | H24 | H24A | 120.0° | 120.0° |
| C2 | C24 | H24 | H24B | 120.0° | 120.1° |
| C2 | C24 | H24A | H24B | 120.0° | 120.0° |
| C24 | C2 | C3 | H3 | 169.2° | 41.6° |
| C2 | O1 | C1 | C13 | 111.8° | 51.7° |
| C2 | O1 | C1 | C12 | 68.9° | 130.0° |
| O1 | C2 | C3 | N1 | 70.7° | 80.2° |
| O1 | C2 | C3 | C14 | 170.6° | 43.1° |
| O1 | C2 | C22 | H22 | 132.6° | 57.8° |
| O1 | C2 | C22 | H22A | 105.2° | 177.9° |
| O1 | C2 | C24 | H24 | 103.9° | 63.2° |
| O1 | C2 | C24 | H24A | 16.1° | 56.8° |
| O1 | C2 | C24 | H24B | 136.2° | 176.8° |
| O1 | C2 | C3 | H3 | 50.5° | 160.8° |
| C3 | C2 | O1 | C1 | 7.6° | 42.2° |
| C2 | C3 | N1 | C4 | 131.0° | 107.8° |
| C2 | C3 | N1 | C14 | 118.5° | 123.7° |
| C2 | C3 | N1 | H3 | 121.4° | 119.0° |
| C2 | C3 | C14 | H3 | 121.4° | 118.1° |
| C2 | C3 | C14 | O6 | 89.5° | 90.3° |
| C2 | C3 | C14 | N3 | 87.3° | 89.8° |
| C3 | C2 | C22 | H22 | 7.3° | 68.6° |
| C3 | C2 | C22 | H22A | 129.4° | 51.5° |
| C3 | C2 | C24 | H24 | 129.9° | 173.9° |
| C3 | C2 | C24 | H24A | 110.1° | 66.1° |
| C3 | C2 | C24 | H24B | 9.9° | 53.8° |
| C2 | C3 | N1 | HN1 | 49.0° | 73.4° |
| O1 | C1 | C13 | C12 | 179.2° | 178.4° |
| O1 | C1 | C13 | C9 | 179.3° | 179.1° |
| O1 | C1 | C12 | O5 | 0.4° | 0.1° |
| O1 | C1 | C12 | C11 | 179.7° | 179.8° |
| O1 | C1 | C13 | H13 | 0.7° | 2.2° |
| C1 | C13 | C9 | H13 | 180.0° | 178.7° |
| C13 | C1 | C12 | O5 | 179.7° | 178.3° |
| C13 | C1 | C12 | C11 | 1.0° | 1.4° |
| C1 | C13 | C9 | C10 | 0.8° | 2.2° |
| C1 | C13 | C9 | C8 | 179.7° | 177.3° |
| C12 | C1 | C13 | C9 | 0.1° | 2.6° |
| C1 | C12 | O5 | C11 | 179.2° | 179.6° |
| C1 | C12 | C11 | CL1 | 179.2° | 179.8° |
| C1 | C12 | C11 | C10 | 1.1° | 0.2° |
| C12 | C1 | C13 | H13 | 179.9° | 176.1° |
| C1 | C12 | O5 | HO5 | 178.5° | 94.9° |
| C13 | C9 | C10 | C11 | 0.7° | 0.6° |
| C13 | C9 | C10 | C8 | 179.5° | 179.5° |
| C13 | C9 | C8 | O4 | 20.9° | 155.5° |
| C13 | C9 | C8 | C7 | 102.7° | 84.2° |
| C13 | C9 | C10 | H10 | 179.2° | 179.0° |
| C13 | C9 | C8 | H8 | 138.8° | 35.7° |
| O5 | C12 | C11 | CL1 | 0.0° | 0.1° |
| O5 | C12 | C11 | C10 | 179.6° | 179.8° |
| C12 | C11 | CL1 | C10 | 179.7° | 179.9° |
| C12 | C11 | C10 | C9 | 0.2° | 0.5° |
| C11 | C12 | O5 | HO5 | 2.3° | 84.7° |
| C12 | C11 | C10 | H10 | 179.8° | 179.8° |
| CL1 | C11 | C10 | C9 | 179.8° | 179.4° |
| CL1 | C11 | C10 | H10 | 0.2° | 0.2° |
| C11 | C10 | C9 | H10 | 180.0° | 179.6° |
| C11 | C10 | C9 | C8 | 179.8° | 178.9° |
| C10 | C9 | C8 | O4 | 159.7° | 25.0° |
| C10 | C9 | C8 | C7 | 76.7° | 95.4° |
| C10 | C9 | C13 | H13 | 179.2° | 176.5° |
| C10 | C9 | C8 | H8 | 41.8° | 144.7° |
| C9 | C8 | O4 | C7 | 124.8° | 120.5° |
| C9 | C8 | O4 | H8 | 116.6° | 119.8° |
| C9 | C8 | C7 | H8 | 116.6° | 119.9° |
| C9 | C8 | C7 | N6 | 172.8° | 51.7° |
| C9 | C8 | C7 | C6 | 51.7° | 68.7° |
| C8 | C9 | C13 | H13 | 0.3° | 4.0° |
| C8 | C9 | C10 | H10 | 0.3° | 1.5° |
| C9 | C8 | O4 | HO4 | 56.0° | 60.0° |
| C9 | C8 | C7 | H7 | 69.9° | 171.6° |
| O4 | C8 | C7 | H8 | 118.2° | 119.6° |
| O4 | C8 | C7 | N6 | 47.6° | 68.7° |
| O4 | C8 | C7 | C6 | 73.5° | 170.9° |
| O4 | C8 | C7 | H7 | 164.9° | 51.2° |
| C8 | C7 | N6 | C6 | 117.5° | 120.3° |
| C8 | C7 | N6 | H7 | 120.9° | 120.0° |
| C8 | C7 | C6 | H7 | 120.9° | 119.9° |
| C8 | C7 | N6 | C28 | 90.9° | 89.7° |
| C8 | C7 | C6 | O3 | 79.5° | 26.1° |
| C8 | C7 | C6 | N2 | 98.1° | 154.1° |
| C7 | C8 | O4 | HO4 | 68.8° | 179.5° |
| C8 | C7 | N6 | HN6 | 149.2° | 146.4° |
| N6 | C7 | C6 | H7 | 117.3° | 119.9° |
| C7 | N6 | C28 | HN6 | 120.0° | 123.9° |
| N6 | C7 | C6 | O3 | 42.2° | 146.3° |
| N6 | C7 | C6 | N2 | 140.1° | 33.8° |
| N6 | C7 | C8 | H8 | 70.6° | 171.6° |
| C7 | N6 | C28 | H28 | 113.0° | 65.2° |
| C7 | N6 | C28 | H28A | 7.0° | 54.7° |
| C7 | N6 | C28 | H28B | 127.0° | 174.7° |
| C6 | C7 | N6 | C28 | 151.6° | 150.1° |
| C7 | C6 | O3 | N2 | 177.2° | 179.9° |
| C7 | C6 | N2 | C5 | 176.4° | 179.6° |
| C6 | C7 | C8 | H8 | 168.4° | 51.2° |
| C6 | C7 | N6 | HN6 | 31.7° | 26.2° |
| C7 | C6 | N2 | HN2 | 3.6° | 0.7° |
| C28 | N6 | C7 | H7 | 30.0° | 30.3° |
| N6 | C28 | H28 | H28A | 120.0° | 120.0° |
| N6 | C28 | H28 | H28B | 120.0° | 120.0° |
| N6 | C28 | H28A | H28B | 120.0° | 120.0° |
| O3 | C6 | N2 | C5 | 1.0° | 0.5° |
| O3 | C6 | C7 | H7 | 159.5° | 93.8° |
| O3 | C6 | N2 | HN2 | 179.0° | 179.1° |
| C6 | N2 | C5 | HN2 | 180.0° | 179.7° |
| C6 | N2 | C5 | C25 | 120.4° | 59.2° |
| C6 | N2 | C5 | C4 | 125.3° | 64.8° |
| N2 | C6 | C7 | H7 | 22.8° | 86.1° |
| C6 | N2 | C5 | H5 | 0.1° | 177.4° |
| N2 | C5 | C25 | C4 | 111.7° | 123.8° |
| N2 | C5 | C25 | H5 | 122.6° | 118.5° |
| N2 | C5 | C4 | H5 | 121.6° | 118.0° |
| N2 | C5 | C25 | C27 | 174.4° | 176.1° |
| N2 | C5 | C25 | C26 | 6.0° | 3.8° |
| N2 | C5 | C4 | O2 | 55.3° | 176.5° |
| N2 | C5 | C4 | N1 | 123.4° | 3.6° |
| C25 | C5 | C4 | H5 | 119.7° | 117.5° |
| C5 | C25 | C27 | C26 | 179.7° | 179.9° |
| C25 | C5 | C4 | O2 | 63.4° | 52.0° |
| C25 | C5 | C4 | N1 | 117.9° | 128.0° |
| C25 | C5 | N2 | HN2 | 59.6° | 120.4° |
| C5 | C25 | C27 | H27 | 156.9° | 5.6° |
| C5 | C25 | C27 | H27A | 36.9° | 125.7° |
| C5 | C25 | C27 | H27B | 83.1° | 114.4° |
| C5 | C25 | C26 | H26 | 0.2° | 1.6° |
| C5 | C25 | C26 | H26A | 179.8° | 178.4° |
| C4 | C5 | C25 | C27 | 73.9° | 52.3° |
| C4 | C5 | C25 | C26 | 105.7° | 127.6° |
| C5 | C4 | O2 | N1 | 178.5° | 180.0° |
| C5 | C4 | N1 | C3 | 178.1° | 169.1° |
| C4 | C5 | N2 | HN2 | 54.7° | 115.6° |
| C5 | C4 | N1 | HN1 | 1.9° | 9.6° |
| C27 | C25 | C5 | H5 | 51.8° | 65.4° |
| C25 | C27 | H27 | H27A | 120.0° | 120.0° |
| C25 | C27 | H27 | H27B | 120.0° | 120.0° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| C27 | C25 | C26 | H26 | 179.8° | 178.4° |
| C27 | C25 | C26 | H26A | 0.2° | 1.6° |
| C26 | C25 | C5 | H5 | 128.5° | 114.7° |
| C26 | C25 | C27 | H27 | 22.8° | 174.4° |
| C26 | C25 | C27 | H27A | 142.8° | 54.4° |
| C26 | C25 | C27 | H27B | 97.2° | 65.5° |
| C25 | C26 | H26 | H26A | 180.0° | 180.0° |
| O2 | C4 | N1 | C3 | 0.5° | 10.8° |
| O2 | C4 | C5 | H5 | 176.9° | 65.5° |
| O2 | C4 | N1 | HN1 | 179.5° | 170.4° |
| C4 | N1 | C3 | HN1 | 180.0° | 178.8° |
| C4 | N1 | C3 | C14 | 110.5° | 128.5° |
| N1 | C4 | C5 | H5 | 1.8° | 114.5° |
| C4 | N1 | C3 | H3 | 9.6° | 11.2° |
| N1 | C3 | C14 | H3 | 121.3° | 117.8° |
| N1 | C3 | C14 | O6 | 27.8° | 33.8° |
| N1 | C3 | C14 | N3 | 155.4° | 146.1° |
| C3 | C14 | O6 | N3 | 176.9° | 179.9° |
| C3 | C14 | N3 | C29 | 4.5° | 179.2° |
| C3 | C14 | N3 | C15 | 179.8° | 0.5° |
| C14 | C3 | N1 | HN1 | 69.5° | 50.3° |
| O6 | C14 | N3 | C29 | 178.8° | 0.7° |
| O6 | C14 | N3 | C15 | 3.5° | 179.6° |
| O6 | C14 | C3 | H3 | 149.1° | 151.5° |
| C14 | N3 | C29 | C15 | 176.2° | 179.8° |
| C14 | N3 | C29 | C30 | 144.2° | 180.0° |
| C14 | N3 | C15 | C31 | 144.3° | 179.9° |
| C14 | N3 | C15 | C16 | 91.1° | 60.6° |
| N3 | C14 | C3 | H3 | 34.2° | 28.4° |
| C14 | N3 | C29 | H29 | 24.2° | 60.6° |
| C14 | N3 | C29 | H29A | 92.9° | 60.6° |
| C14 | N3 | C15 | H15 | 20.9° | 60.6° |
| N3 | C29 | C30 | H29 | 120.0° | 119.4° |
| N3 | C29 | C30 | H29A | 122.9° | 119.4° |
| N3 | C29 | C30 | C31 | 20.9° | 0.0° |
| C29 | N3 | C15 | C31 | 31.6° | 0.3° |
| C29 | N3 | C15 | C16 | 93.0° | 119.2° |
| N3 | C29 | H29 | H29A | 123.4° | 121.2° |
| N3 | C29 | C30 | H30 | 159.2° | 180.0° |
| C29 | N3 | C15 | H15 | 155.0° | 119.6° |
| C15 | N3 | C29 | C30 | 32.0° | 0.2° |
| N3 | C15 | C31 | C30 | 18.0° | 0.3° |
| N3 | C15 | C31 | C16 | 127.4° | 119.4° |
| N3 | C15 | C31 | H15 | 120.3° | 119.4° |
| N3 | C15 | C16 | H15 | 119.2° | 121.2° |
| N3 | C15 | C16 | O7 | 62.2° | 13.2° |
| N3 | C15 | C16 | N4 | 120.9° | 166.9° |
| C15 | N3 | C29 | H29 | 152.0° | 119.6° |
| C15 | N3 | C29 | H29A | 90.9° | 119.2° |
| N3 | C15 | C31 | H31 | 162.0° | 179.8° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C15 | 1.3° | 0.2° |
| C30 | C29 | H29 | H29A | 123.4° | 121.2° |
| C29 | C30 | C31 | H31 | 178.7° | 180.0° |
| C30 | C31 | C15 | H31 | 180.0° | 179.9° |
| C30 | C31 | C15 | C16 | 109.5° | 119.1° |
| C31 | C30 | C29 | H29 | 140.9° | 119.4° |
| C31 | C30 | C29 | H29A | 102.1° | 119.3° |
| C30 | C31 | C15 | H15 | 138.3° | 119.7° |
| C31 | C15 | C16 | H15 | 122.7° | 121.1° |
| C31 | C15 | C16 | O7 | 179.7° | 104.5° |
| C31 | C15 | C16 | N4 | 2.8° | 75.4° |
| C15 | C31 | C30 | H30 | 178.7° | 179.8° |
| C15 | C16 | O7 | N4 | 177.0° | 179.9° |
| C15 | C16 | N4 | C17 | 179.1° | 175.3° |
| C16 | C15 | C31 | H31 | 70.5° | 60.8° |
| C15 | C16 | N4 | HN4 | 1.0° | 4.7° |
| O7 | C16 | N4 | C17 | 2.2° | 4.8° |
| O7 | C16 | C15 | H15 | 57.0° | 134.4° |
| O7 | C16 | N4 | HN4 | 177.8° | 175.3° |
| C16 | N4 | C17 | HN4 | 180.0° | 180.0° |
| C16 | N4 | C17 | C32 | 1.1° | 174.2° |
| C16 | N4 | C17 | C18 | 178.8° | 5.8° |
| N4 | C16 | C15 | H15 | 119.9° | 45.7° |
| N4 | C17 | C32 | C18 | 179.9° | 180.0° |
| N4 | C17 | C32 | C35 | 0.3° | 5.4° |
| N4 | C17 | C32 | C33 | 178.9° | 174.6° |
| N4 | C17 | C18 | O8 | 179.5° | 89.1° |
| N4 | C17 | C18 | N5 | 0.2° | 90.9° |
| C17 | C32 | C35 | C33 | 178.8° | 180.0° |
| C17 | C32 | C33 | C34 | 106.3° | 95.3° |
| C32 | C17 | C18 | O8 | 0.4° | 91.0° |
| C32 | C17 | C18 | N5 | 179.9° | 89.1° |
| C32 | C17 | N4 | HN4 | 178.9° | 5.7° |
| C17 | C32 | C35 | H35 | 179.9° | 5.1° |
| C17 | C32 | C35 | H35A | 60.0° | 114.9° |
| C17 | C32 | C35 | H35B | 60.0° | 125.1° |
| C17 | C32 | C33 | H33 | 13.7° | 144.6° |
| C17 | C32 | C33 | H33A | 133.3° | 24.7° |
| C18 | C17 | C32 | C35 | 179.8° | 174.5° |
| C18 | C17 | C32 | C33 | 1.2° | 5.5° |
| C17 | C18 | O8 | N5 | 179.7° | 180.0° |
| C17 | C18 | N5 | C19 | 179.7° | 176.1° |
| C18 | C17 | N4 | HN4 | 1.2° | 174.2° |
| C17 | C18 | N5 | HN5 | 0.3° | 4.0° |
| C35 | C32 | C33 | C34 | 72.5° | 84.6° |
| C32 | C35 | H35 | H35A | 120.0° | 120.0° |
| C32 | C35 | H35 | H35B | 120.0° | 119.9° |
| C32 | C35 | H35A | H35B | 120.0° | 120.0° |
| C35 | C32 | C33 | H33 | 167.5° | 35.4° |
| C35 | C32 | C33 | H33A | 47.9° | 155.3° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.4° | 120.0° |
| C33 | C32 | C35 | H35 | 1.1° | 174.9° |
| C33 | C32 | C35 | H35A | 121.1° | 65.1° |
| C33 | C32 | C35 | H35B | 118.9° | 54.9° |
| C32 | C33 | H33 | H33A | 120.4° | 119.9° |
| C32 | C33 | C34 | H34 | 42.5° | 60.0° |
| C32 | C33 | C34 | H34A | 162.5° | 60.0° |
| C32 | C33 | C34 | H34B | 77.5° | 180.0° |
| C34 | C33 | H33 | H33A | 120.4° | 120.1° |
| C33 | C34 | H34 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34B | 120.0° | 120.0° |
| C33 | C34 | H34A | H34B | 120.0° | 120.0° |
| O8 | C18 | N5 | C19 | 0.6° | 3.9° |
| O8 | C18 | N5 | HN5 | 179.4° | 176.0° |
| C18 | N5 | C19 | HN5 | 180.0° | 180.0° |
| C18 | N5 | C19 | C36 | 179.9° | 4.9° |
| C18 | N5 | C19 | C20 | 0.1° | 175.2° |
| N5 | C19 | C36 | C20 | 179.8° | 180.0° |
| N5 | C19 | C36 | O9 | 0.5° | 91.1° |
| N5 | C19 | C36 | O10 | 179.8° | 88.9° |
| N5 | C19 | C20 | C21 | 179.7° | 174.2° |
| N5 | C19 | C20 | H20 | 0.3° | 5.7° |
| C19 | C36 | O9 | O10 | 179.7° | 179.9° |
| C36 | C19 | C20 | C21 | 0.1° | 5.8° |
| C36 | C19 | N5 | HN5 | 0.1° | 175.2° |
| C19 | C36 | O10 | HO10 | 179.7° | 180.0° |
| C36 | C19 | C20 | H20 | 179.9° | 174.3° |
| C20 | C19 | C36 | O9 | 179.7° | 89.0° |
| C20 | C19 | C36 | O10 | 0.0° | 91.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | O11 | 179.7° | 174.7° |
| C19 | C20 | C21 | O12 | 0.2° | 5.4° |
| C20 | C19 | N5 | HN5 | 179.9° | 4.8° |
| O9 | C36 | O10 | HO10 | 0.0° | 0.0° |
| C20 | C21 | O11 | O12 | 179.9° | 180.0° |
| C20 | C21 | O11 | HO11 | 179.8° | 180.0° |
| O11 | C21 | C20 | H20 | 0.3° | 5.3° |
| O12 | C21 | C20 | H20 | 179.8° | 174.7° |
| O12 | C21 | O11 | HO11 | 0.0° | 0.0° |
| H23 | C23 | H23A | H23B | 120.0° | 120.0° |
| H23 | C23 | C22 | H22 | 133.1° | 180.0° |
| H23 | C23 | C22 | H22A | 11.0° | 60.0° |
| H23A | C23 | C22 | H22 | 13.1° | 60.0° |
| H23A | C23 | C22 | H22A | 109.0° | 60.0° |
| H23B | C23 | C22 | H22 | 106.9° | 60.0° |
| H23B | C23 | C22 | H22A | 131.0° | 180.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H8 | C8 | O4 | HO4 | 172.5° | 59.9° |
| H8 | C8 | C7 | H7 | 46.7° | 68.4° |
| H7 | C7 | N6 | HN6 | 90.0° | 93.6° |
| HN6 | N6 | C28 | H28 | 127.0° | 170.8° |
| HN6 | N6 | C28 | H28A | 113.0° | 69.2° |
| HN6 | N6 | C28 | H28B | 7.0° | 50.8° |
| H28 | C28 | H28A | H28B | 120.0° | 120.0° |
| HN2 | N2 | C5 | H5 | 179.9° | 2.3° |
| H27 | C27 | H27A | H27B | 120.0° | 120.0° |
| HN1 | N1 | C3 | H3 | 170.4° | 167.6° |
| H29 | C29 | C30 | H30 | 39.2° | 60.6° |
| H29A | C29 | C30 | H30 | 77.9° | 60.6° |
| H30 | C30 | C31 | H31 | 1.3° | 0.1° |
| H31 | C31 | C15 | H15 | 41.7° | 60.5° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H33 | C33 | C34 | H34 | 77.5° | 180.0° |
| H33 | C33 | C34 | H34A | 42.5° | 60.0° |
| H33 | C33 | C34 | H34B | 162.5° | 60.0° |
| H33A | C33 | C34 | H34 | 162.9° | 60.0° |
| H33A | C33 | C34 | H34A | 77.1° | 180.0° |
| H33A | C33 | C34 | H34B | 42.9° | 60.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
