M9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.45Å | 1.48Å | |
| O1 | C5 | sing | 1.35Å | 1.34Å | |
| O2 | C5 | doub | 1.22Å | 1.21Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.40Å | 1.40Å | |
| C6 | C10 | doub | 1.37Å | 1.40Å | |
| C6 | C7 | sing | 1.41Å | 1.39Å | |
| C10 | C9 | sing | 1.40Å | 1.39Å | |
| C7 | O3 | doub | 1.22Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.41Å | |
| C9 | C8 | doub | 1.35Å | 1.35Å | |
| N2 | C8 | sing | 1.36Å | 1.37Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| N4 | C22 | sing | 1.47Å | 1.46Å | |
| N4 | C23 | sing | 1.35Å | 1.32Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C23 | O5 | doub | 1.21Å | 1.20Å | |
| C23 | C20 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| O4 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | N3 | sing | 1.35Å | 1.32Å | |
| N3 | C17 | sing | 1.47Å | 1.45Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | O6 | sing | 1.43Å | 1.42Å | |
| C18 | C24 | sing | 1.51Å | 1.48Å | |
| C24 | O7 | doub | 1.21Å | 1.23Å | |
| C24 | N5 | sing | 1.35Å | 1.34Å | |
| N5 | C25 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| C25 | C27 | sing | 1.53Å | 1.49Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| N4 | H34 | sing | 0.97Å | 1.00Å | |
| O6 | H35 | sing | 0.97Å | 0.95Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C2 | C1 | 111.4° | 109.4° |
| C4 | C2 | C3 | 111.8° | 109.5° |
| C4 | C2 | O1 | 111.8° | 109.5° |
| C2 | C4 | H3 | 109.5° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.5° |
| C2 | C4 | H5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 112.4° | 109.5° |
| C1 | C2 | O1 | 101.6° | 109.5° |
| C2 | C1 | H20 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.4° | 109.5° |
| C3 | C2 | O1 | 107.4° | 109.5° |
| C2 | C3 | H23 | 109.5° | 109.5° |
| C2 | C3 | H24 | 109.5° | 109.5° |
| C2 | C3 | H25 | 109.4° | 109.5° |
| C2 | O1 | C5 | 122.8° | 117.0° |
| O1 | C5 | O2 | 126.3° | 120.0° |
| O1 | C5 | N1 | 108.8° | 120.0° |
| O2 | C5 | N1 | 124.9° | 120.0° |
| C5 | N1 | C6 | 125.5° | 120.0° |
| C5 | N1 | H1 | 117.3° | 120.0° |
| N1 | C6 | C10 | 123.4° | 120.4° |
| N1 | C6 | C7 | 115.1° | 120.4° |
| C6 | N1 | H1 | 117.3° | 120.0° |
| C10 | C6 | C7 | 121.6° | 119.2° |
| C6 | C10 | C9 | 119.9° | 119.2° |
| C6 | C10 | H7 | 120.0° | 120.4° |
| C6 | C7 | O3 | 125.0° | 120.0° |
| C6 | C7 | N2 | 115.4° | 119.9° |
| C10 | C9 | C8 | 119.0° | 120.1° |
| C9 | C10 | H7 | 120.0° | 120.4° |
| C10 | C9 | H26 | 120.5° | 119.9° |
| O3 | C7 | N2 | 119.6° | 120.1° |
| C7 | N2 | C8 | 123.0° | 120.8° |
| C7 | N2 | C11 | 117.4° | 119.6° |
| C9 | C8 | N2 | 121.0° | 120.8° |
| C9 | C8 | H6 | 119.5° | 119.6° |
| C8 | C9 | H26 | 120.5° | 120.0° |
| C8 | N2 | C11 | 119.4° | 119.6° |
| N2 | C8 | H6 | 119.5° | 119.6° |
| N2 | C11 | C12 | 105.5° | 109.4° |
| N2 | C11 | C13 | 113.9° | 109.5° |
| N2 | C11 | H27 | 108.7° | 109.5° |
| C22 | N4 | C23 | 114.1° | 111.4° |
| N4 | C22 | C21 | 103.2° | 105.4° |
| N4 | C22 | H16 | 111.0° | 110.2° |
| N4 | C22 | H17 | 111.0° | 110.4° |
| C22 | N4 | H34 | 122.9° | 124.3° |
| N4 | C23 | O5 | 125.1° | 124.9° |
| N4 | C23 | C20 | 109.6° | 110.0° |
| C23 | N4 | H34 | 123.0° | 124.3° |
| C22 | C21 | C20 | 105.6° | 101.8° |
| C22 | C21 | H14 | 110.5° | 111.0° |
| C22 | C21 | H15 | 110.5° | 110.9° |
| C21 | C22 | H16 | 111.0° | 110.3° |
| C21 | C22 | H17 | 111.0° | 110.3° |
| O5 | C23 | C20 | 125.3° | 125.1° |
| C23 | C20 | C21 | 103.5° | 104.3° |
| C23 | C20 | C19 | 115.9° | 110.5° |
| C23 | C20 | H13 | 107.8° | 110.5° |
| C12 | C11 | C13 | 112.5° | 109.5° |
| C11 | C12 | O4 | 119.8° | 120.0° |
| C11 | C12 | N3 | 117.4° | 120.0° |
| C12 | C11 | H27 | 108.2° | 109.5° |
| C11 | C13 | C14 | 112.4° | 109.4° |
| C11 | C13 | H8 | 108.7° | 109.5° |
| C11 | C13 | H9 | 108.7° | 109.5° |
| C13 | C11 | H27 | 108.0° | 109.5° |
| C21 | C20 | C19 | 113.7° | 110.4° |
| C21 | C20 | H13 | 107.8° | 110.5° |
| C20 | C21 | H14 | 110.4° | 111.0° |
| C20 | C21 | H15 | 110.4° | 111.0° |
| C14 | C16 | C15 | 60.0° | 60.0° |
| C16 | C14 | C13 | 121.0° | 117.5° |
| C16 | C14 | C15 | 59.6° | 60.0° |
| C16 | C14 | H28 | 115.4° | 117.6° |
| C14 | C16 | H29 | 120.0° | 117.5° |
| C14 | C16 | H30 | 120.0° | 117.5° |
| C16 | C15 | C14 | 60.4° | 60.0° |
| C16 | C15 | H10 | 119.9° | 117.4° |
| C16 | C15 | H11 | 119.9° | 117.5° |
| C15 | C16 | H29 | 120.0° | 117.6° |
| C15 | C16 | H30 | 120.0° | 117.5° |
| C20 | C19 | C17 | 111.7° | 109.4° |
| C19 | C20 | H13 | 107.7° | 110.5° |
| C20 | C19 | H32 | 108.9° | 109.5° |
| C20 | C19 | H33 | 108.9° | 109.5° |
| C13 | C14 | C15 | 118.7° | 117.5° |
| C14 | C13 | H8 | 108.8° | 109.4° |
| C14 | C13 | H9 | 108.7° | 109.4° |
| C13 | C14 | H28 | 115.3° | 115.5° |
| C14 | C15 | H10 | 119.9° | 117.5° |
| C14 | C15 | H11 | 119.9° | 117.5° |
| C15 | C14 | H28 | 115.5° | 117.5° |
| O4 | C12 | N3 | 122.8° | 120.0° |
| C12 | N3 | C17 | 122.6° | 120.0° |
| C12 | N3 | H2 | 118.7° | 120.0° |
| N3 | C17 | C19 | 110.2° | 109.5° |
| N3 | C17 | C18 | 105.9° | 109.5° |
| C17 | N3 | H2 | 118.7° | 120.0° |
| N3 | C17 | H12 | 108.1° | 109.5° |
| C19 | C17 | C18 | 117.9° | 109.5° |
| C19 | C17 | H12 | 107.2° | 109.5° |
| C17 | C19 | H32 | 108.9° | 109.5° |
| C17 | C19 | H33 | 108.9° | 109.4° |
| C17 | C18 | O6 | 107.4° | 109.5° |
| C17 | C18 | C24 | 111.7° | 109.5° |
| C18 | C17 | H12 | 107.2° | 109.4° |
| C17 | C18 | H31 | 109.6° | 109.5° |
| O6 | C18 | C24 | 106.6° | 109.4° |
| O6 | C18 | H31 | 111.2° | 109.4° |
| C18 | O6 | H35 | 109.5° | 114.0° |
| C18 | C24 | O7 | 120.9° | 120.0° |
| C18 | C24 | N5 | 113.9° | 120.0° |
| C24 | C18 | H31 | 110.3° | 109.5° |
| O7 | C24 | N5 | 125.2° | 120.0° |
| C24 | N5 | C25 | 125.7° | 120.0° |
| C24 | N5 | H36 | 117.2° | 120.0° |
| N5 | C25 | C26 | 120.2° | 117.5° |
| N5 | C25 | C27 | 115.1° | 117.5° |
| C25 | N5 | H36 | 117.2° | 120.0° |
| N5 | C25 | H37 | 116.8° | 115.5° |
| C25 | C26 | C27 | 60.2° | 60.0° |
| C26 | C25 | C27 | 59.4° | 60.0° |
| C25 | C26 | H18 | 120.0° | 117.5° |
| C25 | C26 | H19 | 120.0° | 117.5° |
| C26 | C25 | H37 | 116.3° | 117.5° |
| C26 | C27 | C25 | 60.4° | 60.0° |
| C27 | C26 | H18 | 119.9° | 117.5° |
| C27 | C26 | H19 | 120.0° | 117.5° |
| C26 | C27 | H38 | 120.0° | 117.5° |
| C26 | C27 | H39 | 119.9° | 117.5° |
| C27 | C25 | H37 | 116.4° | 117.6° |
| C25 | C27 | H38 | 119.9° | 117.5° |
| C25 | C27 | H39 | 119.9° | 117.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H3 | C4 | H5 | 109.4° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.4° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 115.5° |
| H14 | C21 | H15 | 109.4° | 110.9° |
| H16 | C22 | H17 | 109.5° | 110.2° |
| H18 | C26 | H19 | 109.5° | 115.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H20 | C1 | H22 | 109.4° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H23 | C3 | H24 | 109.4° | 109.5° |
| H23 | C3 | H25 | 109.5° | 109.5° |
| H24 | C3 | H25 | 109.5° | 109.4° |
| H29 | C16 | H30 | 109.4° | 115.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C2 | C1 | C3 | 126.4° | 120.0° |
| C4 | C2 | C1 | O1 | 119.1° | 120.0° |
| C4 | C2 | C3 | O1 | 123.0° | 120.0° |
| C4 | C2 | O1 | C5 | 57.0° | 60.0° |
| C2 | C4 | H3 | H4 | 120.0° | 120.0° |
| C2 | C4 | H3 | H5 | 120.0° | 120.1° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C4 | C2 | C1 | H20 | 180.0° | 60.0° |
| C4 | C2 | C1 | H21 | 60.0° | 180.0° |
| C4 | C2 | C1 | H22 | 60.0° | 60.0° |
| C4 | C2 | C3 | H23 | 180.0° | 60.0° |
| C4 | C2 | C3 | H24 | 60.0° | 180.0° |
| C4 | C2 | C3 | H25 | 60.0° | 60.0° |
| C1 | C2 | C3 | O1 | 110.9° | 120.0° |
| C1 | C2 | O1 | C5 | 175.9° | 60.0° |
| C1 | C2 | C4 | H3 | 180.0° | 60.0° |
| C1 | C2 | C4 | H4 | 60.0° | 180.0° |
| C1 | C2 | C4 | H5 | 60.0° | 60.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H22 | 120.0° | 120.1° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | C3 | H23 | 53.8° | 180.0° |
| C1 | C2 | C3 | H24 | 173.8° | 60.0° |
| C1 | C2 | C3 | H25 | 66.2° | 59.9° |
| C3 | C2 | O1 | C5 | 66.0° | 180.0° |
| C3 | C2 | C4 | H3 | 53.3° | 180.0° |
| C3 | C2 | C4 | H4 | 173.3° | 60.0° |
| C3 | C2 | C4 | H5 | 66.7° | 60.0° |
| C3 | C2 | C1 | H20 | 53.6° | 60.0° |
| C3 | C2 | C1 | H21 | 66.4° | 60.1° |
| C3 | C2 | C1 | H22 | 173.6° | 180.0° |
| C2 | C3 | H23 | H24 | 120.0° | 120.0° |
| C2 | C3 | H23 | H25 | 120.0° | 120.0° |
| C2 | C3 | H24 | H25 | 120.0° | 120.0° |
| C2 | O1 | C5 | O2 | 19.6° | 0.0° |
| C2 | O1 | C5 | N1 | 159.8° | 180.0° |
| O1 | C2 | C4 | H3 | 67.2° | 60.0° |
| O1 | C2 | C4 | H4 | 52.8° | 60.0° |
| O1 | C2 | C4 | H5 | 172.9° | 180.0° |
| O1 | C2 | C1 | H20 | 60.8° | 180.0° |
| O1 | C2 | C1 | H21 | 179.1° | 60.0° |
| O1 | C2 | C1 | H22 | 59.1° | 60.0° |
| O1 | C2 | C3 | H23 | 57.0° | 60.0° |
| O1 | C2 | C3 | H24 | 63.0° | 60.0° |
| O1 | C2 | C3 | H25 | 177.0° | 180.0° |
| O1 | C5 | O2 | N1 | 179.3° | 180.0° |
| O1 | C5 | N1 | C6 | 176.7° | 175.7° |
| O1 | C5 | N1 | H1 | 3.2° | 4.0° |
| O2 | C5 | N1 | C6 | 2.7° | 4.3° |
| O2 | C5 | N1 | H1 | 177.4° | 176.0° |
| C5 | N1 | C6 | H1 | 180.0° | 179.7° |
| C5 | N1 | C6 | C10 | 7.3° | 124.9° |
| C5 | N1 | C6 | C7 | 172.8° | 55.4° |
| N1 | C6 | C10 | C7 | 179.9° | 179.7° |
| N1 | C6 | C10 | C9 | 179.3° | 180.0° |
| N1 | C6 | C7 | O3 | 2.3° | 0.1° |
| N1 | C6 | C7 | N2 | 179.2° | 180.0° |
| N1 | C6 | C10 | H7 | 0.7° | 0.1° |
| C6 | C10 | C9 | H7 | 180.0° | 180.0° |
| C10 | C6 | C7 | O3 | 177.7° | 179.8° |
| C10 | C6 | C7 | N2 | 0.7° | 0.3° |
| C6 | C10 | C9 | C8 | 2.6° | 0.0° |
| C10 | C6 | N1 | H1 | 172.7° | 55.4° |
| C6 | C10 | C9 | H26 | 177.3° | 179.9° |
| C7 | C6 | C10 | C9 | 0.6° | 0.3° |
| C6 | C7 | O3 | N2 | 178.4° | 179.9° |
| C6 | C7 | N2 | C8 | 3.0° | 0.1° |
| C6 | C7 | N2 | C11 | 176.6° | 180.0° |
| C7 | C6 | N1 | H1 | 7.3° | 124.3° |
| C7 | C6 | C10 | H7 | 179.3° | 179.7° |
| C10 | C9 | C8 | H26 | 180.0° | 180.0° |
| C10 | C9 | C8 | N2 | 4.8° | 0.3° |
| C10 | C9 | C8 | H6 | 175.2° | 180.0° |
| O3 | C7 | N2 | C8 | 175.6° | 180.0° |
| O3 | C7 | N2 | C11 | 1.9° | 0.1° |
| C7 | N2 | C8 | C9 | 5.2° | 0.2° |
| C7 | N2 | C8 | C11 | 173.5° | 180.0° |
| C7 | N2 | C11 | C12 | 83.2° | 120.0° |
| C7 | N2 | C11 | C13 | 152.9° | 120.0° |
| C7 | N2 | C8 | H6 | 174.8° | 180.0° |
| C7 | N2 | C11 | H27 | 32.5° | 0.1° |
| C9 | C8 | N2 | H6 | 180.0° | 179.7° |
| C9 | C8 | N2 | C11 | 178.7° | 179.7° |
| C8 | C9 | C10 | H7 | 177.3° | 180.0° |
| C8 | N2 | C11 | C12 | 90.7° | 60.0° |
| C8 | N2 | C11 | C13 | 33.2° | 60.0° |
| N2 | C8 | C9 | H26 | 175.2° | 179.8° |
| C8 | N2 | C11 | H27 | 153.6° | 180.0° |
| N2 | C11 | C12 | C13 | 124.8° | 120.0° |
| N2 | C11 | C12 | H27 | 116.1° | 120.0° |
| N2 | C11 | C13 | H27 | 120.8° | 120.0° |
| N2 | C11 | C13 | C14 | 61.4° | 65.0° |
| N2 | C11 | C12 | O4 | 29.7° | 0.0° |
| N2 | C11 | C12 | N3 | 147.9° | 180.0° |
| C11 | N2 | C8 | H6 | 1.3° | 0.0° |
| N2 | C11 | C13 | H8 | 59.0° | 54.9° |
| N2 | C11 | C13 | H9 | 178.1° | 175.0° |
| C22 | N4 | C23 | H34 | 180.0° | 179.9° |
| N4 | C22 | C21 | H16 | 119.0° | 119.0° |
| N4 | C22 | C21 | H17 | 119.0° | 119.2° |
| C22 | N4 | C23 | O5 | 178.4° | 179.5° |
| C22 | N4 | C23 | C20 | 0.3° | 0.6° |
| N4 | C22 | C21 | C20 | 19.1° | 25.5° |
| N4 | C22 | C21 | H14 | 138.5° | 92.7° |
| N4 | C22 | C21 | H15 | 100.3° | 143.6° |
| N4 | C22 | H16 | H17 | 122.9° | 122.1° |
| C23 | N4 | C22 | C21 | 12.1° | 17.2° |
| N4 | C23 | O5 | C20 | 178.5° | 179.8° |
| N4 | C23 | C20 | C21 | 12.7° | 16.1° |
| N4 | C23 | C20 | C19 | 137.8° | 134.8° |
| N4 | C23 | C20 | H13 | 101.4° | 102.6° |
| C23 | N4 | C22 | H16 | 106.9° | 136.2° |
| C23 | N4 | C22 | H17 | 131.1° | 101.9° |
| C22 | C21 | C20 | C23 | 19.3° | 24.8° |
| C22 | C21 | C20 | H14 | 119.4° | 118.2° |
| C22 | C21 | C20 | H15 | 119.4° | 118.1° |
| C22 | C21 | C20 | C19 | 145.9° | 143.5° |
| C22 | C21 | C20 | H13 | 94.8° | 94.0° |
| C22 | C21 | H14 | H15 | 121.8° | 123.8° |
| C21 | C22 | H16 | H17 | 122.9° | 121.9° |
| C21 | C22 | N4 | H34 | 167.9° | 163.0° |
| O5 | C23 | C20 | C21 | 166.1° | 163.7° |
| O5 | C23 | C20 | C19 | 40.9° | 45.1° |
| O5 | C23 | C20 | H13 | 79.9° | 77.5° |
| O5 | C23 | N4 | H34 | 1.6° | 0.3° |
| C23 | C20 | C21 | C19 | 126.6° | 118.7° |
| C23 | C20 | C21 | H13 | 114.1° | 118.7° |
| C23 | C20 | C19 | H13 | 120.8° | 122.6° |
| C23 | C20 | C19 | C17 | 167.6° | 71.1° |
| C23 | C20 | C21 | H14 | 138.7° | 93.4° |
| C23 | C20 | C21 | H15 | 100.1° | 142.9° |
| C23 | C20 | C19 | H32 | 72.1° | 48.8° |
| C23 | C20 | C19 | H33 | 47.3° | 168.9° |
| C20 | C23 | N4 | H34 | 179.7° | 179.5° |
| C12 | C11 | C13 | H27 | 119.2° | 120.0° |
| C12 | C11 | C13 | C14 | 178.6° | 175.0° |
| C11 | C12 | O4 | N3 | 177.4° | 180.0° |
| C11 | C12 | N3 | C17 | 173.8° | 175.0° |
| C11 | C12 | N3 | H2 | 6.2° | 5.0° |
| C12 | C11 | C13 | H8 | 60.9° | 65.1° |
| C12 | C11 | C13 | H9 | 58.2° | 55.1° |
| C11 | C13 | C14 | C16 | 78.8° | 116.4° |
| C11 | C13 | C14 | H8 | 120.4° | 120.0° |
| C11 | C13 | C14 | H9 | 120.4° | 120.0° |
| C11 | C13 | C14 | C15 | 148.6° | 175.0° |
| C13 | C11 | C12 | O4 | 95.1° | 120.0° |
| C13 | C11 | C12 | N3 | 87.4° | 60.0° |
| C11 | C13 | H8 | H9 | 118.6° | 120.1° |
| C11 | C13 | C14 | H28 | 68.1° | 29.4° |
| C21 | C20 | C19 | H13 | 119.4° | 122.5° |
| C21 | C20 | C19 | C17 | 72.6° | 174.0° |
| C20 | C21 | H14 | H15 | 121.8° | 123.8° |
| C20 | C21 | C22 | H16 | 99.9° | 144.4° |
| C20 | C21 | C22 | H17 | 138.1° | 93.7° |
| C21 | C20 | C19 | H32 | 47.7° | 66.0° |
| C21 | C20 | C19 | H33 | 167.1° | 54.0° |
| C14 | C16 | C15 | H29 | 109.5° | 107.5° |
| C14 | C16 | C15 | H30 | 109.5° | 107.5° |
| C16 | C14 | C13 | C15 | 69.9° | 68.6° |
| C16 | C14 | C13 | H28 | 146.8° | 145.8° |
| C16 | C14 | C15 | H28 | 105.7° | 107.5° |
| C16 | C14 | C13 | H8 | 160.8° | 123.6° |
| C16 | C14 | C13 | H9 | 41.7° | 3.6° |
| C14 | C16 | C15 | H10 | 109.5° | 107.5° |
| C14 | C16 | C15 | H11 | 109.6° | 107.5° |
| C14 | C16 | H29 | H30 | 144.7° | 145.7° |
| C16 | C15 | H10 | H11 | 144.6° | 145.6° |
| C15 | C16 | H29 | H30 | 144.7° | 145.7° |
| C20 | C19 | C17 | N3 | 62.6° | 176.0° |
| C20 | C19 | C17 | H32 | 120.3° | 120.0° |
| C20 | C19 | C17 | H33 | 120.3° | 120.0° |
| C20 | C19 | C17 | C18 | 175.8° | 64.0° |
| C20 | C19 | C17 | H12 | 54.9° | 56.0° |
| C19 | C20 | C21 | H14 | 94.7° | 25.4° |
| C19 | C20 | C21 | H15 | 26.5° | 98.4° |
| C20 | C19 | H32 | H33 | 119.0° | 120.1° |
| C13 | C14 | C15 | H28 | 143.3° | 144.9° |
| C14 | C13 | H8 | H9 | 118.7° | 119.9° |
| C13 | C14 | C15 | H10 | 1.4° | 145.1° |
| C13 | C14 | C15 | H11 | 139.4° | 0.0° |
| C14 | C13 | C11 | H27 | 59.4° | 55.0° |
| C13 | C14 | C16 | H29 | 2.2° | 145.0° |
| C13 | C14 | C16 | H30 | 143.2° | 0.0° |
| C15 | C14 | C13 | H8 | 90.9° | 55.0° |
| C15 | C14 | C13 | H9 | 28.2° | 65.0° |
| C14 | C15 | H10 | H11 | 144.5° | 145.7° |
| O4 | C12 | N3 | C17 | 8.8° | 5.0° |
| O4 | C12 | N3 | H2 | 171.2° | 175.0° |
| O4 | C12 | C11 | H27 | 145.8° | 120.0° |
| C12 | N3 | C17 | H2 | 180.0° | 180.0° |
| C12 | N3 | C17 | C19 | 117.3° | 89.2° |
| C12 | N3 | C17 | C18 | 114.2° | 150.7° |
| C12 | N3 | C17 | H12 | 0.5° | 30.8° |
| N3 | C12 | C11 | H27 | 31.8° | 60.0° |
| N3 | C17 | C19 | C18 | 121.7° | 120.0° |
| N3 | C17 | C19 | H12 | 117.4° | 120.0° |
| N3 | C17 | C18 | H12 | 115.3° | 120.0° |
| N3 | C17 | C18 | O6 | 45.3° | 60.0° |
| N3 | C17 | C18 | C24 | 161.8° | 60.0° |
| N3 | C17 | C18 | H31 | 75.6° | 180.0° |
| N3 | C17 | C19 | H32 | 177.1° | 56.0° |
| N3 | C17 | C19 | H33 | 57.7° | 64.0° |
| C19 | C17 | C18 | H12 | 120.9° | 120.0° |
| C19 | C17 | C18 | O6 | 169.2° | 60.0° |
| C19 | C17 | C18 | C24 | 74.3° | 180.0° |
| C19 | C17 | N3 | H2 | 62.7° | 90.8° |
| C17 | C19 | C20 | H13 | 46.7° | 51.4° |
| C19 | C17 | C18 | H31 | 48.2° | 60.0° |
| C17 | C19 | H32 | H33 | 119.0° | 120.0° |
| C17 | C18 | O6 | C24 | 119.8° | 120.0° |
| C17 | C18 | O6 | H31 | 120.0° | 120.1° |
| C17 | C18 | C24 | H31 | 122.2° | 120.1° |
| C17 | C18 | C24 | O7 | 62.6° | 115.0° |
| C17 | C18 | C24 | N5 | 115.4° | 65.0° |
| C18 | C17 | N3 | H2 | 65.8° | 29.3° |
| C18 | C17 | C19 | H32 | 55.4° | 176.0° |
| C18 | C17 | C19 | H33 | 63.9° | 56.0° |
| C17 | C18 | O6 | H35 | 180.0° | 60.0° |
| O6 | C18 | C24 | H31 | 120.8° | 119.9° |
| O6 | C18 | C24 | O7 | 179.6° | 5.0° |
| O6 | C18 | C24 | N5 | 1.6° | 175.0° |
| O6 | C18 | C17 | H12 | 69.9° | 180.0° |
| C18 | C24 | O7 | N5 | 177.7° | 180.0° |
| C18 | C24 | N5 | C25 | 173.7° | 180.0° |
| C24 | C18 | C17 | H12 | 46.5° | 60.0° |
| C24 | C18 | O6 | H35 | 60.2° | 60.0° |
| C18 | C24 | N5 | H36 | 6.3° | 0.0° |
| O7 | C24 | N5 | C25 | 8.4° | 0.0° |
| O7 | C24 | C18 | H31 | 59.6° | 124.9° |
| O7 | C24 | N5 | H36 | 171.5° | 180.0° |
| C24 | N5 | C25 | H36 | 180.0° | 180.0° |
| C24 | N5 | C25 | C26 | 107.0° | 155.0° |
| C24 | N5 | C25 | C27 | 174.8° | 136.4° |
| N5 | C24 | C18 | H31 | 122.4° | 55.1° |
| C24 | N5 | C25 | H37 | 43.3° | 9.4° |
| N5 | C25 | C26 | C27 | 103.1° | 107.5° |
| N5 | C25 | C26 | H37 | 150.4° | 144.9° |
| N5 | C25 | C27 | H37 | 142.0° | 145.0° |
| N5 | C25 | C26 | H18 | 6.4° | 0.0° |
| N5 | C25 | C26 | H19 | 147.4° | 145.0° |
| N5 | C25 | C27 | H38 | 2.0° | 0.1° |
| N5 | C25 | C27 | H39 | 138.9° | 145.0° |
| C25 | C26 | C27 | H18 | 109.5° | 107.5° |
| C25 | C26 | C27 | H19 | 109.5° | 107.5° |
| C26 | C25 | C27 | H37 | 106.4° | 107.5° |
| C25 | C26 | H18 | H19 | 144.7° | 145.7° |
| C26 | C25 | N5 | H36 | 73.0° | 25.0° |
| C25 | C26 | C27 | H38 | 109.6° | 107.5° |
| C25 | C26 | C27 | H39 | 109.6° | 107.5° |
| C27 | C26 | H18 | H19 | 144.6° | 145.7° |
| C26 | C27 | H38 | H39 | 144.5° | 145.7° |
| C27 | C25 | N5 | H36 | 5.2° | 43.6° |
| C25 | C27 | H38 | H39 | 144.5° | 145.7° |
| H2 | N3 | C17 | H12 | 179.5° | 149.2° |
| H3 | C4 | H4 | H5 | 119.9° | 119.9° |
| H6 | C8 | C9 | H26 | 4.9° | 0.0° |
| H7 | C10 | C9 | H26 | 2.7° | 0.0° |
| H8 | C13 | C11 | H27 | 179.8° | 175.0° |
| H8 | C13 | C14 | H28 | 52.4° | 90.7° |
| H9 | C13 | C11 | H27 | 61.1° | 64.9° |
| H9 | C13 | C14 | H28 | 171.5° | 149.3° |
| H10 | C15 | C14 | H28 | 144.7° | 0.1° |
| H10 | C15 | C16 | H29 | 0.1° | 0.0° |
| H10 | C15 | C16 | H30 | 140.9° | 145.0° |
| H11 | C15 | C14 | H28 | 3.9° | 144.9° |
| H11 | C15 | C16 | H29 | 141.0° | 145.0° |
| H11 | C15 | C16 | H30 | 0.0° | 0.0° |
| H12 | C17 | C18 | H31 | 169.1° | 60.0° |
| H12 | C17 | C19 | H32 | 65.5° | 64.0° |
| H12 | C17 | C19 | H33 | 175.2° | 176.0° |
| H13 | C20 | C21 | H14 | 24.6° | 147.9° |
| H13 | C20 | C21 | H15 | 145.8° | 24.1° |
| H13 | C20 | C19 | H32 | 167.1° | 171.4° |
| H13 | C20 | C19 | H33 | 73.6° | 68.5° |
| H14 | C21 | C22 | H16 | 19.5° | 26.3° |
| H14 | C21 | C22 | H17 | 102.5° | 148.2° |
| H15 | C21 | C22 | H16 | 140.7° | 97.4° |
| H15 | C21 | C22 | H17 | 18.7° | 24.4° |
| H16 | C22 | N4 | H34 | 73.1° | 44.0° |
| H17 | C22 | N4 | H34 | 48.9° | 78.0° |
| H18 | C26 | C25 | H37 | 144.0° | 144.9° |
| H18 | C26 | C27 | H38 | 0.0° | 0.0° |
| H18 | C26 | C27 | H39 | 140.9° | 145.1° |
| H19 | C26 | C25 | H37 | 3.1° | 0.0° |
| H19 | C26 | C27 | H38 | 140.9° | 145.0° |
| H19 | C26 | C27 | H39 | 0.1° | 0.0° |
| H20 | C1 | H21 | H22 | 120.0° | 119.9° |
| H23 | C3 | H24 | H25 | 120.0° | 120.0° |
| H28 | C14 | C16 | H29 | 144.7° | 0.0° |
| H28 | C14 | C16 | H30 | 3.6° | 145.1° |
| H31 | C18 | O6 | H35 | 60.1° | 180.0° |
| H36 | N5 | C25 | H37 | 136.7° | 170.6° |
| H37 | C25 | C27 | H38 | 144.0° | 145.1° |
| H37 | C25 | C27 | H39 | 3.2° | 0.0° |
