PRD_001096
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.49Å | 1.48Å | |
| C1 | O2 | doub | 1.21Å | 1.26Å | |
| C2 | C3 | sing | 1.51Å | 1.47Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C7 | sing | 1.46Å | 1.46Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.49Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O3 | doub | 1.21Å | 1.21Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.38Å | 1.44Å | Aromatic |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.40Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | O4 | sing | 1.36Å | 1.38Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| N2 | C16 | sing | 1.48Å | 1.45Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.22Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.32Å | |
| C19 | N3 | sing | 1.35Å | 1.43Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.32Å | Aromatic |
| C20 | C30 | sing | 1.51Å | 1.41Å | |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | N4 | sing | 1.39Å | 1.38Å | |
| N4 | C26 | sing | 1.34Å | 1.28Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C26 | O7 | doub | 1.21Å | 1.23Å | |
| C26 | C30 | sing | 1.52Å | 1.50Å | |
| N5 | C27 | sing | 1.48Å | 1.47Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.46Å | |
| C27 | C29 | sing | 1.53Å | 1.56Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | O8 | doub | 1.21Å | 1.26Å | |
| C29 | O9 | sing | 1.43Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| O9 | H31 | sing | 0.97Å | 0.95Å | |
| C30 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | H32 | sing | 0.97Å | 0.95Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.51Å | 1.49Å | |
| C33 | C32 | doub | 1.32Å | 1.35Å | |
| N6 | C33 | sing | 1.39Å | 1.39Å | |
| C32 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H37 | sing | 1.08Å | 1.08Å | |
| N6 | H38 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.38Å | |
| C8 | N2 | sing | 1.37Å | 1.41Å | |
| C13 | C24 | sing | 1.48Å | 1.42Å | |
| C17 | N5 | sing | 1.36Å | 1.38Å | |
| C28 | N6 | sing | 1.35Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O2 | 119.8° | 120.1° |
| C1 | C2 | C3 | 124.2° | 120.0° |
| C1 | C2 | O1 | 118.3° | 120.0° |
| C2 | C1 | N1 | 114.8° | 120.0° |
| O2 | C1 | N1 | 125.4° | 119.9° |
| C3 | C2 | O1 | 117.5° | 120.0° |
| C2 | C3 | C4 | 108.8° | 109.5° |
| C2 | C3 | C5 | 105.7° | 109.5° |
| C2 | C3 | H1 | 110.8° | 109.4° |
| C4 | C3 | C5 | 112.0° | 109.5° |
| C4 | C3 | H1 | 109.8° | 109.4° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.4° |
| C5 | C3 | H1 | 109.7° | 109.4° |
| C3 | C5 | C6 | 109.4° | 109.5° |
| C3 | C5 | H5 | 109.5° | 109.4° |
| C3 | C5 | H6 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H4 | 109.4° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| C6 | C5 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C7 | N1 | H10 | 117.8° | 120.0° |
| N1 | C7 | C8 | 112.4° | 109.4° |
| N1 | C7 | C9 | 109.5° | 109.3° |
| N1 | C7 | H11 | 110.9° | 109.4° |
| C7 | N1 | C1 | 124.4° | 120.0° |
| H10 | N1 | C1 | 117.7° | 119.9° |
| C8 | C7 | C9 | 103.6° | 110.1° |
| C8 | C7 | H11 | 109.8° | 109.4° |
| C7 | C8 | O3 | 117.4° | 120.8° |
| C7 | C8 | N2 | 120.3° | 118.5° |
| C9 | C7 | H11 | 110.4° | 109.2° |
| C7 | C9 | C10 | 113.3° | 109.9° |
| C7 | C9 | H12 | 108.5° | 109.4° |
| C7 | C9 | H13 | 108.5° | 109.4° |
| O3 | C8 | N2 | 122.2° | 120.7° |
| C10 | C9 | H12 | 108.5° | 109.4° |
| C10 | C9 | H13 | 108.5° | 109.4° |
| C9 | C10 | C11 | 121.1° | 119.7° |
| C9 | C10 | C12 | 121.1° | 120.1° |
| H12 | C9 | H13 | 109.4° | 109.3° |
| C11 | C10 | C12 | 117.8° | 120.2° |
| C10 | C11 | C13 | 120.1° | 120.0° |
| C10 | C11 | H14 | 120.0° | 120.0° |
| C10 | C12 | C14 | 119.9° | 120.2° |
| C10 | C12 | H15 | 120.0° | 119.9° |
| C13 | C11 | H14 | 119.9° | 120.1° |
| C11 | C13 | C15 | 123.0° | 119.8° |
| C11 | C13 | C24 | 116.6° | 119.2° |
| C14 | C12 | H15 | 120.1° | 119.8° |
| C12 | C14 | C15 | 120.4° | 120.1° |
| C12 | C14 | H16 | 119.8° | 120.0° |
| C13 | C15 | C14 | 118.8° | 119.7° |
| C13 | C15 | O4 | 118.5° | 120.2° |
| C15 | C13 | C24 | 120.5° | 121.0° |
| C15 | C14 | H16 | 119.8° | 120.0° |
| C14 | C15 | O4 | 122.7° | 120.1° |
| C15 | O4 | H17 | 109.5° | 114.0° |
| C16 | N2 | H18 | 118.3° | 122.7° |
| N2 | C16 | C17 | 106.3° | 108.9° |
| N2 | C16 | C18 | 109.6° | 109.6° |
| N2 | C16 | H19 | 111.8° | 109.5° |
| C16 | N2 | C8 | 123.4° | 114.6° |
| H18 | N2 | C8 | 118.3° | 122.8° |
| C17 | C16 | C18 | 107.3° | 109.6° |
| C17 | C16 | H19 | 111.3° | 109.6° |
| C16 | C17 | O5 | 117.4° | 120.3° |
| C16 | C17 | N5 | 116.3° | 119.3° |
| C18 | C16 | H19 | 110.4° | 109.7° |
| C16 | C18 | C19 | 113.6° | 109.5° |
| C16 | C18 | H20 | 108.4° | 109.5° |
| C16 | C18 | H21 | 108.4° | 109.5° |
| O5 | C17 | N5 | 126.3° | 120.4° |
| C19 | C18 | H20 | 108.4° | 109.5° |
| C19 | C18 | H21 | 108.4° | 109.4° |
| C18 | C19 | O6 | 107.2° | 120.0° |
| C18 | C19 | N3 | 114.6° | 120.0° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| O6 | C19 | N3 | 109.5° | 120.0° |
| C19 | N3 | H22 | 120.0° | 120.0° |
| C19 | N3 | H23 | 120.0° | 120.0° |
| H22 | N3 | H23 | 120.0° | 120.0° |
| C21 | C20 | C25 | 123.8° | 120.7° |
| C21 | C20 | C30 | 126.9° | 133.3° |
| C20 | C21 | C22 | 118.1° | 120.2° |
| C20 | C21 | H24 | 121.0° | 119.9° |
| C25 | C20 | C30 | 109.2° | 105.9° |
| C20 | C25 | C24 | 118.1° | 118.9° |
| C20 | C25 | N4 | 110.1° | 110.2° |
| C20 | C30 | C26 | 102.6° | 103.8° |
| C20 | C30 | C29 | 106.2° | 110.5° |
| C20 | C30 | O10 | 113.1° | 111.0° |
| C22 | C21 | H24 | 120.9° | 119.9° |
| C21 | C22 | C23 | 117.5° | 120.1° |
| C21 | C22 | H25 | 121.3° | 120.0° |
| C23 | C22 | H25 | 121.3° | 120.0° |
| C22 | C23 | C24 | 122.7° | 120.2° |
| C22 | C23 | H26 | 118.7° | 119.9° |
| C24 | C23 | H26 | 118.6° | 119.9° |
| C23 | C24 | C25 | 119.7° | 119.7° |
| C23 | C24 | C13 | 116.9° | 121.2° |
| C24 | C25 | N4 | 131.9° | 130.8° |
| C25 | C24 | C13 | 123.3° | 119.1° |
| C25 | N4 | C26 | 110.1° | 112.3° |
| C25 | N4 | H27 | 125.0° | 123.8° |
| C26 | N4 | H27 | 125.0° | 123.9° |
| N4 | C26 | O7 | 129.5° | 126.8° |
| N4 | C26 | C30 | 108.1° | 106.4° |
| O7 | C26 | C30 | 122.4° | 126.7° |
| C26 | C30 | C29 | 112.0° | 109.5° |
| C26 | C30 | O10 | 114.6° | 111.0° |
| C27 | N5 | H28 | 117.1° | 122.0° |
| N5 | C27 | C28 | 111.2° | 109.5° |
| N5 | C27 | C29 | 115.4° | 109.0° |
| N5 | C27 | H29 | 107.9° | 109.5° |
| C27 | N5 | C17 | 125.9° | 116.2° |
| H28 | N5 | C17 | 117.0° | 121.9° |
| C28 | C27 | C29 | 107.3° | 109.6° |
| C28 | C27 | H29 | 108.0° | 109.6° |
| C27 | C28 | O8 | 114.6° | 120.0° |
| C27 | C28 | N6 | 116.3° | 120.0° |
| C29 | C27 | H29 | 106.8° | 109.6° |
| C27 | C29 | O9 | 113.2° | 109.5° |
| C27 | C29 | C30 | 109.8° | 109.2° |
| C27 | C29 | H30 | 108.0° | 109.5° |
| O8 | C28 | N6 | 129.0° | 120.0° |
| O9 | C29 | C30 | 108.3° | 109.5° |
| O9 | C29 | H30 | 109.3° | 109.5° |
| C29 | O9 | H31 | 109.5° | 114.0° |
| C30 | C29 | H30 | 108.1° | 109.6° |
| C29 | C30 | O10 | 108.1° | 110.8° |
| C30 | O10 | H32 | 109.5° | 114.0° |
| H33 | C31 | H34 | 109.4° | 109.4° |
| H33 | C31 | H35 | 109.5° | 109.4° |
| H33 | C31 | C32 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | C32 | 109.5° | 109.5° |
| H35 | C31 | C32 | 109.5° | 109.5° |
| C31 | C32 | C33 | 123.0° | 120.0° |
| C31 | C32 | H36 | 118.5° | 120.0° |
| C32 | C33 | N6 | 128.7° | 120.0° |
| C33 | C32 | H36 | 118.5° | 120.0° |
| C32 | C33 | H37 | 115.7° | 120.0° |
| N6 | C33 | H37 | 115.7° | 120.0° |
| C33 | N6 | H38 | 111.2° | 120.0° |
| C33 | N6 | C28 | 137.6° | 120.0° |
| H38 | N6 | C28 | 111.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O2 | N1 | 179.1° | 179.8° |
| C1 | C2 | C3 | O1 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 129.5° | 90.0° |
| C1 | C2 | C3 | C5 | 110.1° | 149.9° |
| C1 | C2 | C3 | H1 | 8.7° | 30.0° |
| C2 | C1 | N1 | C7 | 179.0° | 180.0° |
| C2 | C1 | N1 | H10 | 1.0° | 0.1° |
| O2 | C1 | C2 | C3 | 0.4° | 0.0° |
| O2 | C1 | C2 | O1 | 178.9° | 180.0° |
| O2 | C1 | N1 | C7 | 0.1° | 0.3° |
| O2 | C1 | N1 | H10 | 179.9° | 179.7° |
| C2 | C3 | C4 | C5 | 116.5° | 120.1° |
| C2 | C3 | C4 | H1 | 121.5° | 120.0° |
| C2 | C3 | C5 | H1 | 119.5° | 120.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 60.0° | 60.0° |
| C2 | C3 | C4 | H4 | 60.0° | 60.0° |
| C2 | C3 | C5 | C6 | 179.3° | 175.0° |
| C2 | C3 | C5 | H5 | 59.3° | 65.0° |
| C2 | C3 | C5 | H6 | 60.7° | 55.0° |
| C3 | C2 | C1 | N1 | 179.5° | 179.7° |
| O1 | C2 | C3 | C4 | 49.8° | 90.1° |
| O1 | C2 | C3 | C5 | 70.6° | 30.0° |
| O1 | C2 | C3 | H1 | 170.6° | 150.0° |
| O1 | C2 | C1 | N1 | 0.3° | 0.2° |
| C4 | C3 | C5 | H1 | 122.1° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.1° |
| C3 | C4 | H2 | H4 | 120.0° | 119.9° |
| C3 | C4 | H3 | H4 | 120.0° | 119.9° |
| C4 | C3 | C5 | C6 | 60.9° | 64.9° |
| C4 | C3 | C5 | H5 | 59.1° | 55.0° |
| C4 | C3 | C5 | H6 | 179.1° | 175.0° |
| C5 | C3 | C4 | H2 | 63.5° | 59.9° |
| C5 | C3 | C4 | H3 | 176.4° | 180.0° |
| C5 | C3 | C4 | H4 | 56.5° | 60.1° |
| C3 | C5 | C6 | H5 | 120.0° | 119.9° |
| C3 | C5 | C6 | H6 | 120.0° | 120.0° |
| C3 | C5 | H5 | H6 | 120.0° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 60.0° |
| C3 | C5 | C6 | H8 | 60.0° | 60.0° |
| C3 | C5 | C6 | H9 | 60.0° | 180.0° |
| H1 | C3 | C4 | H2 | 58.6° | 60.1° |
| H1 | C3 | C4 | H3 | 61.5° | 60.0° |
| H1 | C3 | C4 | H4 | 178.5° | 180.0° |
| H1 | C3 | C5 | C6 | 61.2° | 55.0° |
| H1 | C3 | C5 | H5 | 178.8° | 175.0° |
| H1 | C3 | C5 | H6 | 58.8° | 65.0° |
| H2 | C4 | H3 | H4 | 120.0° | 120.0° |
| C6 | C5 | H5 | H6 | 120.0° | 120.0° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| H5 | C5 | C6 | H7 | 60.0° | 179.9° |
| H5 | C5 | C6 | H8 | 180.0° | 60.0° |
| H5 | C5 | C6 | H9 | 60.0° | 60.0° |
| H6 | C5 | C6 | H7 | 60.0° | 60.0° |
| H6 | C5 | C6 | H8 | 60.0° | 180.0° |
| H6 | C5 | C6 | H9 | 180.0° | 60.0° |
| H7 | C6 | H8 | H9 | 120.0° | 120.0° |
| C7 | N1 | H10 | C1 | 180.0° | 179.9° |
| N1 | C7 | C8 | C9 | 118.1° | 120.2° |
| N1 | C7 | C8 | H11 | 124.0° | 119.8° |
| N1 | C7 | C9 | H11 | 122.4° | 119.7° |
| N1 | C7 | C8 | O3 | 7.7° | 96.1° |
| N1 | C7 | C9 | C10 | 52.0° | 33.3° |
| N1 | C7 | C9 | H12 | 172.5° | 153.4° |
| N1 | C7 | C9 | H13 | 68.6° | 86.9° |
| N1 | C7 | C8 | N2 | 174.2° | 83.9° |
| H10 | N1 | C7 | C8 | 112.0° | 89.9° |
| H10 | N1 | C7 | C9 | 2.6° | 30.8° |
| H10 | N1 | C7 | H11 | 124.6° | 150.3° |
| C8 | C7 | C9 | H11 | 117.5° | 120.1° |
| C7 | C8 | O3 | N2 | 178.0° | 180.0° |
| C8 | C7 | C9 | C10 | 68.2° | 86.9° |
| C8 | C7 | C9 | H12 | 52.4° | 33.2° |
| C8 | C7 | C9 | H13 | 171.3° | 152.9° |
| C7 | C8 | N2 | C16 | 179.1° | 178.9° |
| C7 | C8 | N2 | H18 | 0.9° | 1.0° |
| C8 | C7 | N1 | C1 | 68.0° | 90.2° |
| C9 | C7 | C8 | O3 | 110.4° | 24.1° |
| C7 | C9 | C10 | H12 | 120.6° | 120.1° |
| C7 | C9 | C10 | H13 | 120.6° | 120.2° |
| C7 | C9 | H12 | H13 | 118.2° | 119.7° |
| C7 | C9 | C10 | C11 | 85.3° | 30.1° |
| C7 | C9 | C10 | C12 | 92.1° | 149.7° |
| C9 | C7 | N1 | C1 | 177.4° | 149.1° |
| C9 | C7 | C8 | N2 | 67.7° | 155.9° |
| H11 | C7 | C8 | O3 | 131.7° | 144.1° |
| H11 | C7 | C9 | C10 | 174.3° | 152.9° |
| H11 | C7 | C9 | H12 | 65.1° | 86.9° |
| H11 | C7 | C9 | H13 | 53.8° | 32.8° |
| H11 | C7 | N1 | C1 | 55.3° | 29.6° |
| H11 | C7 | C8 | N2 | 50.2° | 35.9° |
| O3 | C8 | N2 | C16 | 1.2° | 1.0° |
| O3 | C8 | N2 | H18 | 178.9° | 179.1° |
| C10 | C9 | H12 | H13 | 118.3° | 119.8° |
| C9 | C10 | C11 | C12 | 177.5° | 179.8° |
| C9 | C10 | C11 | C13 | 178.7° | 177.9° |
| C9 | C10 | C11 | H14 | 1.3° | 2.1° |
| C9 | C10 | C12 | C14 | 178.5° | 178.4° |
| C9 | C10 | C12 | H15 | 1.5° | 1.6° |
| H12 | C9 | C10 | C11 | 35.3° | 90.0° |
| H12 | C9 | C10 | C12 | 147.3° | 90.2° |
| H13 | C9 | C10 | C11 | 154.2° | 150.3° |
| H13 | C9 | C10 | C12 | 28.4° | 29.5° |
| C10 | C11 | C13 | H14 | 180.0° | 180.0° |
| C11 | C10 | C12 | C14 | 4.0° | 1.8° |
| C11 | C10 | C12 | H15 | 176.0° | 178.2° |
| C10 | C11 | C13 | C15 | 2.1° | 1.2° |
| C10 | C11 | C13 | C24 | 176.5° | 179.5° |
| C12 | C10 | C11 | C13 | 3.8° | 2.3° |
| C12 | C10 | C11 | H14 | 176.2° | 177.7° |
| C10 | C12 | C14 | H15 | 180.0° | 180.0° |
| C10 | C12 | C14 | C15 | 2.4° | 0.1° |
| C10 | C12 | C14 | H16 | 177.6° | 179.9° |
| C11 | C13 | C15 | C24 | 178.6° | 179.3° |
| C11 | C13 | C15 | C14 | 0.4° | 0.5° |
| C11 | C13 | C15 | O4 | 179.2° | 179.5° |
| C11 | C13 | C24 | C23 | 123.4° | 155.6° |
| C11 | C13 | C24 | C25 | 56.2° | 26.4° |
| H14 | C11 | C13 | C15 | 177.9° | 178.8° |
| H14 | C11 | C13 | C24 | 3.5° | 0.5° |
| C12 | C14 | C15 | C13 | 0.6° | 1.0° |
| C12 | C14 | C15 | H16 | 180.0° | 180.0° |
| C12 | C14 | C15 | O4 | 179.0° | 179.0° |
| H15 | C12 | C14 | C15 | 177.6° | 179.9° |
| H15 | C12 | C14 | H16 | 2.4° | 0.1° |
| C13 | C15 | C14 | O4 | 179.6° | 180.0° |
| C13 | C15 | C14 | H16 | 179.4° | 178.9° |
| C13 | C15 | O4 | H17 | 180.0° | 90.0° |
| C15 | C13 | C24 | C23 | 55.3° | 25.1° |
| C15 | C13 | C24 | C25 | 125.1° | 152.9° |
| C14 | C15 | O4 | H17 | 0.4° | 90.0° |
| C14 | C15 | C13 | C24 | 178.2° | 178.8° |
| H16 | C14 | C15 | O4 | 1.0° | 1.0° |
| O4 | C15 | C13 | C24 | 2.2° | 1.2° |
| C16 | N2 | H18 | C8 | 180.0° | 179.9° |
| N2 | C16 | C17 | C18 | 117.2° | 119.8° |
| N2 | C16 | C17 | H19 | 121.9° | 119.8° |
| N2 | C16 | C18 | H19 | 123.6° | 120.2° |
| N2 | C16 | C17 | O5 | 24.9° | 107.2° |
| N2 | C16 | C18 | C19 | 71.0° | 169.9° |
| N2 | C16 | C18 | H20 | 49.6° | 49.9° |
| N2 | C16 | C18 | H21 | 168.4° | 70.2° |
| N2 | C16 | C17 | N5 | 157.4° | 72.7° |
| H18 | N2 | C16 | C17 | 84.2° | 76.1° |
| H18 | N2 | C16 | C18 | 31.5° | 164.0° |
| H18 | N2 | C16 | H19 | 154.3° | 43.7° |
| C17 | C16 | C18 | H19 | 121.4° | 120.3° |
| C16 | C17 | O5 | N5 | 177.5° | 179.9° |
| C17 | C16 | C18 | C19 | 174.0° | 70.6° |
| C17 | C16 | C18 | H20 | 65.4° | 169.3° |
| C17 | C16 | C18 | H21 | 53.4° | 49.3° |
| C16 | C17 | N5 | C27 | 175.6° | 177.8° |
| C16 | C17 | N5 | H28 | 4.4° | 2.1° |
| C17 | C16 | N2 | C8 | 95.9° | 103.8° |
| C18 | C16 | C17 | O5 | 92.3° | 133.0° |
| C16 | C18 | C19 | H20 | 120.6° | 120.1° |
| C16 | C18 | C19 | H21 | 120.6° | 120.0° |
| C16 | C18 | H20 | H21 | 118.1° | 120.0° |
| C16 | C18 | C19 | O6 | 178.7° | 0.1° |
| C16 | C18 | C19 | N3 | 57.0° | 180.0° |
| C18 | C16 | N2 | C8 | 148.5° | 16.0° |
| C18 | C16 | C17 | N5 | 85.4° | 47.1° |
| H19 | C16 | C17 | O5 | 146.8° | 12.6° |
| H19 | C16 | C18 | C19 | 52.6° | 49.7° |
| H19 | C16 | C18 | H20 | 173.2° | 70.4° |
| H19 | C16 | C18 | H21 | 68.0° | 169.6° |
| H19 | C16 | N2 | C8 | 25.7° | 136.4° |
| H19 | C16 | C17 | N5 | 35.4° | 167.5° |
| O5 | C17 | N5 | C27 | 1.9° | 2.3° |
| O5 | C17 | N5 | H28 | 178.2° | 177.8° |
| C19 | C18 | H20 | H21 | 118.1° | 119.9° |
| C18 | C19 | O6 | N3 | 124.8° | 180.0° |
| C18 | C19 | N3 | H22 | 120.4° | 0.0° |
| C18 | C19 | N3 | H23 | 59.6° | 180.0° |
| H20 | C18 | C19 | O6 | 58.1° | 120.0° |
| H20 | C18 | C19 | N3 | 63.6° | 60.0° |
| H21 | C18 | C19 | O6 | 60.6° | 120.0° |
| H21 | C18 | C19 | N3 | 177.7° | 60.0° |
| O6 | C19 | N3 | H22 | 0.0° | 179.9° |
| O6 | C19 | N3 | H23 | 180.0° | 0.0° |
| C19 | N3 | H22 | H23 | 180.0° | 180.0° |
| C21 | C20 | C25 | C30 | 177.8° | 179.4° |
| C20 | C21 | C22 | H24 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.6° | 1.3° |
| C20 | C21 | C22 | H25 | 178.4° | 178.7° |
| C21 | C20 | C25 | C24 | 3.2° | 3.3° |
| C21 | C20 | C25 | N4 | 178.5° | 174.2° |
| C21 | C20 | C30 | C26 | 178.0° | 170.1° |
| C21 | C20 | C30 | C29 | 64.4° | 72.5° |
| C21 | C20 | C30 | O10 | 54.0° | 50.8° |
| C25 | C20 | C21 | C22 | 3.0° | 0.1° |
| C25 | C20 | C21 | H24 | 177.0° | 179.8° |
| C20 | C25 | C24 | C23 | 2.2° | 5.1° |
| C20 | C25 | C24 | N4 | 177.8° | 176.8° |
| C20 | C25 | N4 | C26 | 1.0° | 1.0° |
| C20 | C25 | N4 | H27 | 179.0° | 179.0° |
| C25 | C20 | C30 | C26 | 0.3° | 10.6° |
| C25 | C20 | C30 | C29 | 117.9° | 106.7° |
| C25 | C20 | C30 | O10 | 123.7° | 129.9° |
| C20 | C25 | C24 | C13 | 177.3° | 176.8° |
| C30 | C20 | C21 | C22 | 179.7° | 179.0° |
| C30 | C20 | C21 | H24 | 0.3° | 1.0° |
| C30 | C20 | C25 | C24 | 179.0° | 176.1° |
| C30 | C20 | C25 | N4 | 0.8° | 6.5° |
| C20 | C30 | C26 | N4 | 0.3° | 11.3° |
| C20 | C30 | C26 | O7 | 179.9° | 168.8° |
| C20 | C30 | C26 | C29 | 113.4° | 118.0° |
| C20 | C30 | C26 | O10 | 123.0° | 119.3° |
| C20 | C30 | C29 | C27 | 57.6° | 134.3° |
| C20 | C30 | C29 | O9 | 66.5° | 14.4° |
| C20 | C30 | C29 | O10 | 121.7° | 123.4° |
| C20 | C30 | C29 | H30 | 175.2° | 105.8° |
| C20 | C30 | O10 | H32 | 138.8° | 59.3° |
| C21 | C22 | C23 | H25 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 0.6° |
| C21 | C22 | C23 | H26 | 179.2° | 179.4° |
| H24 | C21 | C22 | C23 | 178.4° | 178.8° |
| H24 | C21 | C22 | H25 | 1.6° | 1.3° |
| C22 | C23 | C24 | H26 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.1° | 3.7° |
| C22 | C23 | C24 | C13 | 178.5° | 178.2° |
| H25 | C22 | C23 | C24 | 179.1° | 179.5° |
| H25 | C22 | C23 | H26 | 0.8° | 0.6° |
| C23 | C24 | C25 | C13 | 179.6° | 178.1° |
| C23 | C24 | C25 | N4 | 180.0° | 171.8° |
| H26 | C23 | C24 | C25 | 178.9° | 176.2° |
| H26 | C23 | C24 | C13 | 1.5° | 1.8° |
| C24 | C25 | N4 | C26 | 178.9° | 176.0° |
| C24 | C25 | N4 | H27 | 1.1° | 3.9° |
| C25 | N4 | C26 | H27 | 180.0° | 180.0° |
| C25 | N4 | C26 | O7 | 179.7° | 172.0° |
| C25 | N4 | C26 | C30 | 0.8° | 8.0° |
| N4 | C25 | C24 | C13 | 0.4° | 6.3° |
| N4 | C26 | O7 | C30 | 179.5° | 180.0° |
| N4 | C26 | C30 | C29 | 113.1° | 106.7° |
| N4 | C26 | C30 | O10 | 123.3° | 130.6° |
| H27 | N4 | C26 | O7 | 0.3° | 7.9° |
| H27 | N4 | C26 | C30 | 179.2° | 172.1° |
| O7 | C26 | C30 | C29 | 66.5° | 73.2° |
| O7 | C26 | C30 | O10 | 57.1° | 49.5° |
| C26 | C30 | C29 | C27 | 53.6° | 20.6° |
| C26 | C30 | C29 | O9 | 177.6° | 99.4° |
| C26 | C30 | C29 | O10 | 127.2° | 122.8° |
| C26 | C30 | C29 | H30 | 64.1° | 140.5° |
| C26 | C30 | O10 | H32 | 21.7° | 55.6° |
| C27 | N5 | H28 | C17 | 180.0° | 179.9° |
| N5 | C27 | C28 | C29 | 127.0° | 119.5° |
| N5 | C27 | C28 | H29 | 118.2° | 120.2° |
| N5 | C27 | C29 | H29 | 119.9° | 119.9° |
| N5 | C27 | C28 | O8 | 34.7° | 31.8° |
| N5 | C27 | C29 | O9 | 177.6° | 39.5° |
| N5 | C27 | C29 | C30 | 61.2° | 80.4° |
| N5 | C27 | C29 | H30 | 56.4° | 159.6° |
| N5 | C27 | C28 | N6 | 147.1° | 148.2° |
| H28 | N5 | C27 | C28 | 88.4° | 107.6° |
| H28 | N5 | C27 | C29 | 34.0° | 12.3° |
| H28 | N5 | C27 | H29 | 153.3° | 132.2° |
| C28 | C27 | C29 | H29 | 115.6° | 120.3° |
| C27 | C28 | O8 | N6 | 177.9° | 180.0° |
| C28 | C27 | C29 | O9 | 53.1° | 159.3° |
| C28 | C27 | C29 | C30 | 174.3° | 39.4° |
| C28 | C27 | C29 | H30 | 68.0° | 80.6° |
| C27 | C28 | N6 | C33 | 178.8° | 174.5° |
| C27 | C28 | N6 | H38 | 1.3° | 5.4° |
| C28 | C27 | N5 | C17 | 91.5° | 72.5° |
| C29 | C27 | C28 | O8 | 92.2° | 151.4° |
| C27 | C29 | O9 | C30 | 122.0° | 119.7° |
| C27 | C29 | O9 | H30 | 120.5° | 120.1° |
| C27 | C29 | C30 | H30 | 117.6° | 119.9° |
| C27 | C29 | O9 | H31 | 180.0° | 60.0° |
| C27 | C29 | C30 | O10 | 179.3° | 102.3° |
| C29 | C27 | N5 | C17 | 146.0° | 167.6° |
| C29 | C27 | C28 | N6 | 85.9° | 28.7° |
| H29 | C27 | C28 | O8 | 152.9° | 88.4° |
| H29 | C27 | C29 | O9 | 62.5° | 80.4° |
| H29 | C27 | C29 | C30 | 58.7° | 159.7° |
| H29 | C27 | C29 | H30 | 176.3° | 39.7° |
| H29 | C27 | N5 | C17 | 26.7° | 47.7° |
| H29 | C27 | C28 | N6 | 28.9° | 91.6° |
| O8 | C28 | N6 | C33 | 3.4° | 5.5° |
| O8 | C28 | N6 | H38 | 176.6° | 174.5° |
| O9 | C29 | C30 | H30 | 118.3° | 120.1° |
| O9 | C29 | C30 | O10 | 55.2° | 137.8° |
| C30 | C29 | O9 | H31 | 57.9° | 179.7° |
| C29 | C30 | O10 | H32 | 104.0° | 177.5° |
| H30 | C29 | O9 | H31 | 59.6° | 60.1° |
| H30 | C29 | C30 | O10 | 63.1° | 17.7° |
| H33 | C31 | H34 | H35 | 120.0° | 119.9° |
| H33 | C31 | H34 | C32 | 120.0° | 120.0° |
| H33 | C31 | H35 | C32 | 120.1° | 120.0° |
| H33 | C31 | C32 | C33 | 180.0° | 60.0° |
| H33 | C31 | C32 | H36 | 0.0° | 120.0° |
| H34 | C31 | H35 | C32 | 120.0° | 120.1° |
| H34 | C31 | C32 | C33 | 60.0° | 180.0° |
| H34 | C31 | C32 | H36 | 120.0° | 0.1° |
| H35 | C31 | C32 | C33 | 60.0° | 60.0° |
| H35 | C31 | C32 | H36 | 120.0° | 120.0° |
| C31 | C32 | C33 | H36 | 180.0° | 180.0° |
| C31 | C32 | C33 | N6 | 0.8° | 0.0° |
| C31 | C32 | C33 | H37 | 179.3° | 180.0° |
| C32 | C33 | N6 | H37 | 180.0° | 179.9° |
| C32 | C33 | N6 | H38 | 178.6° | 0.1° |
| C32 | C33 | N6 | C28 | 1.4° | 180.0° |
| N6 | C33 | C32 | H36 | 179.2° | 179.9° |
| C33 | N6 | H38 | C28 | 180.0° | 179.9° |
| H36 | C32 | C33 | H37 | 0.7° | 0.0° |
| H37 | C33 | N6 | H38 | 1.4° | 180.0° |
| H37 | C33 | N6 | C28 | 178.5° | 0.1° |
