MXU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C11 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | O1 | sing | 1.45Å | 1.48Å | |
| O1 | C7 | sing | 1.35Å | 1.34Å | |
| O7 | C7 | doub | 1.21Å | 1.20Å | |
| C7 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C3 | sing | 1.40Å | 1.40Å | |
| C2 | C3 | doub | 1.37Å | 1.40Å | |
| C2 | C1 | sing | 1.40Å | 1.39Å | |
| C3 | C4 | sing | 1.41Å | 1.39Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.39Å | |
| C1 | C5 | doub | 1.35Å | 1.34Å | |
| N4 | C22 | sing | 1.47Å | 1.46Å | |
| N4 | C23 | sing | 1.35Å | 1.32Å | |
| N1 | C5 | sing | 1.36Å | 1.37Å | |
| N1 | C6 | sing | 1.46Å | 1.47Å | |
| C22 | C21 | sing | 1.55Å | 1.53Å | |
| C23 | O4 | doub | 1.21Å | 1.22Å | |
| C23 | C20 | sing | 1.51Å | 1.52Å | |
| C16 | C14 | sing | 1.53Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.49Å | |
| C6 | C12 | sing | 1.51Å | 1.53Å | |
| C6 | C13 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| O6 | C12 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| 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 | O2 | sing | 1.43Å | 1.43Å | |
| C18 | C24 | sing | 1.51Å | 1.51Å | |
| N5 | C24 | sing | 1.35Å | 1.40Å | |
| C24 | O3 | doub | 1.21Å | 1.23Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C11 | 110.6° | 109.4° |
| C9 | C8 | C10 | 111.9° | 109.5° |
| C9 | C8 | O1 | 110.4° | 109.5° |
| C8 | C9 | H20 | 109.5° | 109.5° |
| C8 | C9 | H21 | 109.5° | 109.5° |
| C8 | C9 | H22 | 109.5° | 109.5° |
| C11 | C8 | C10 | 111.4° | 109.5° |
| C11 | C8 | O1 | 102.8° | 109.5° |
| C8 | C11 | H23 | 109.5° | 109.5° |
| C8 | C11 | H24 | 109.5° | 109.5° |
| C8 | C11 | H25 | 109.5° | 109.4° |
| C10 | C8 | O1 | 109.3° | 109.5° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C8 | C10 | H5 | 109.5° | 109.5° |
| C8 | C10 | H6 | 109.5° | 109.5° |
| C8 | O1 | C7 | 121.6° | 117.0° |
| O1 | C7 | O7 | 125.3° | 120.0° |
| O1 | C7 | N2 | 108.6° | 120.0° |
| O7 | C7 | N2 | 126.0° | 120.0° |
| C7 | N2 | C3 | 127.1° | 120.0° |
| C7 | N2 | H19 | 116.5° | 120.0° |
| N2 | C3 | C2 | 122.6° | 120.4° |
| N2 | C3 | C4 | 115.9° | 120.4° |
| C3 | N2 | H19 | 116.5° | 120.0° |
| C3 | C2 | C1 | 119.6° | 119.3° |
| C2 | C3 | C4 | 121.5° | 119.2° |
| C3 | C2 | H18 | 120.2° | 120.4° |
| C2 | C1 | C5 | 119.1° | 120.0° |
| C2 | C1 | H17 | 120.4° | 120.0° |
| C1 | C2 | H18 | 120.2° | 120.4° |
| C3 | C4 | O5 | 125.9° | 120.1° |
| C3 | C4 | N1 | 115.7° | 119.9° |
| O5 | C4 | N1 | 118.4° | 120.0° |
| C4 | N1 | C5 | 122.6° | 120.8° |
| C4 | N1 | C6 | 117.4° | 119.6° |
| C1 | C5 | N1 | 121.3° | 120.8° |
| C1 | C5 | H2 | 119.3° | 119.6° |
| C5 | C1 | H17 | 120.4° | 120.0° |
| C22 | N4 | C23 | 114.0° | 111.3° |
| N4 | C22 | C21 | 103.6° | 105.5° |
| N4 | C22 | H15 | 110.9° | 110.2° |
| N4 | C22 | H16 | 110.9° | 110.4° |
| C22 | N4 | H32 | 123.0° | 124.4° |
| N4 | C23 | O4 | 125.6° | 125.0° |
| N4 | C23 | C20 | 109.3° | 110.0° |
| C23 | N4 | H32 | 123.1° | 124.3° |
| C5 | N1 | C6 | 119.7° | 119.6° |
| N1 | C5 | H2 | 119.3° | 119.6° |
| N1 | C6 | C12 | 107.1° | 109.5° |
| N1 | C6 | C13 | 114.0° | 109.5° |
| N1 | C6 | H3 | 107.7° | 109.4° |
| C22 | C21 | C20 | 104.8° | 101.7° |
| C22 | C21 | H13 | 110.6° | 111.0° |
| C22 | C21 | H14 | 110.6° | 111.0° |
| C21 | C22 | H15 | 110.9° | 110.2° |
| C21 | C22 | H16 | 110.9° | 110.3° |
| O4 | C23 | C20 | 125.2° | 125.0° |
| C23 | C20 | C21 | 103.8° | 104.3° |
| C23 | C20 | C19 | 113.6° | 110.5° |
| C23 | C20 | H12 | 107.7° | 110.5° |
| C14 | C16 | C15 | 60.3° | 60.0° |
| C16 | C14 | C13 | 119.8° | 117.5° |
| C16 | C14 | C15 | 59.8° | 60.0° |
| C16 | C14 | H26 | 115.1° | 117.5° |
| C14 | C16 | H27 | 120.0° | 117.5° |
| C14 | C16 | H28 | 119.9° | 117.5° |
| C16 | C15 | C14 | 59.8° | 60.0° |
| C16 | C15 | H9 | 120.0° | 117.5° |
| C16 | C15 | H10 | 120.0° | 117.5° |
| C15 | C16 | H27 | 119.9° | 117.5° |
| C15 | C16 | H28 | 120.0° | 117.5° |
| C12 | C6 | C13 | 113.4° | 109.5° |
| C6 | C12 | O6 | 121.6° | 120.0° |
| C6 | C12 | N3 | 117.1° | 120.0° |
| C12 | C6 | H3 | 107.1° | 109.5° |
| C6 | C13 | C14 | 111.0° | 109.5° |
| C13 | C6 | H3 | 107.1° | 109.5° |
| C6 | C13 | H7 | 109.1° | 109.5° |
| C6 | C13 | H8 | 109.1° | 109.5° |
| C21 | C20 | C19 | 116.1° | 110.5° |
| C21 | C20 | H12 | 107.7° | 110.5° |
| C20 | C21 | H13 | 110.6° | 110.9° |
| C20 | C21 | H14 | 110.6° | 111.0° |
| C20 | C19 | C17 | 111.3° | 109.5° |
| C19 | C20 | H12 | 107.5° | 110.4° |
| C20 | C19 | H30 | 109.0° | 109.4° |
| C20 | C19 | H31 | 109.0° | 109.4° |
| O6 | C12 | N3 | 121.2° | 120.0° |
| C13 | C14 | C15 | 121.2° | 117.5° |
| C14 | C13 | H7 | 109.1° | 109.4° |
| C14 | C13 | H8 | 109.1° | 109.5° |
| C13 | C14 | H26 | 114.9° | 115.5° |
| C14 | C15 | H9 | 120.0° | 117.5° |
| C14 | C15 | H10 | 120.0° | 117.5° |
| C15 | C14 | H26 | 115.0° | 117.5° |
| C12 | N3 | C17 | 122.2° | 120.1° |
| C12 | N3 | H1 | 118.9° | 120.0° |
| N3 | C17 | C19 | 109.7° | 109.5° |
| N3 | C17 | C18 | 106.1° | 109.5° |
| C17 | N3 | H1 | 118.9° | 119.9° |
| N3 | C17 | H11 | 107.7° | 109.4° |
| C19 | C17 | C18 | 119.2° | 109.5° |
| C19 | C17 | H11 | 106.8° | 109.5° |
| C17 | C19 | H30 | 109.0° | 109.5° |
| C17 | C19 | H31 | 109.0° | 109.5° |
| C17 | C18 | O2 | 110.4° | 109.5° |
| C17 | C18 | C24 | 108.5° | 109.5° |
| C18 | C17 | H11 | 106.8° | 109.5° |
| C17 | C18 | H29 | 109.2° | 109.4° |
| O2 | C18 | C24 | 108.7° | 109.5° |
| O2 | C18 | H29 | 110.6° | 109.5° |
| C18 | O2 | H33 | 109.5° | 114.0° |
| C18 | C24 | N5 | 115.3° | 120.0° |
| C18 | C24 | O3 | 122.9° | 120.0° |
| C24 | C18 | H29 | 109.4° | 109.4° |
| N5 | C24 | O3 | 121.8° | 120.0° |
| C24 | N5 | H34 | 120.0° | 120.0° |
| C24 | N5 | H35 | 120.0° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 115.5° |
| H13 | C21 | H14 | 109.5° | 111.0° |
| H15 | C22 | H16 | 109.5° | 110.2° |
| H20 | C9 | H21 | 109.5° | 109.4° |
| H20 | C9 | H22 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.4° | 109.5° |
| H23 | C11 | H25 | 109.5° | 109.5° |
| H24 | C11 | H25 | 109.5° | 109.4° |
| H27 | C16 | H28 | 109.5° | 115.6° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H34 | N5 | H35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C11 | C10 | 125.2° | 120.0° |
| C9 | C8 | C11 | O1 | 117.9° | 120.0° |
| C9 | C8 | C10 | O1 | 122.6° | 120.0° |
| C9 | C8 | O1 | C7 | 65.8° | 60.0° |
| C9 | C8 | C10 | H4 | 180.0° | 180.0° |
| C9 | C8 | C10 | H5 | 60.0° | 60.0° |
| C9 | C8 | C10 | H6 | 60.0° | 60.0° |
| C8 | C9 | H20 | H21 | 120.0° | 120.0° |
| C8 | C9 | H20 | H22 | 120.0° | 120.0° |
| C8 | C9 | H21 | H22 | 120.0° | 120.0° |
| C9 | C8 | C11 | H23 | 180.0° | 60.0° |
| C9 | C8 | C11 | H24 | 60.0° | 60.0° |
| C9 | C8 | C11 | H25 | 60.0° | 180.0° |
| C11 | C8 | C10 | O1 | 112.9° | 120.0° |
| C11 | C8 | O1 | C7 | 176.1° | 180.0° |
| C11 | C8 | C10 | H4 | 55.6° | 60.0° |
| C11 | C8 | C10 | H5 | 175.6° | 60.0° |
| C11 | C8 | C10 | H6 | 64.4° | 180.0° |
| C11 | C8 | C9 | H20 | 180.0° | 179.9° |
| C11 | C8 | C9 | H21 | 60.0° | 60.0° |
| C11 | C8 | C9 | H22 | 60.0° | 60.0° |
| C8 | C11 | H23 | H24 | 120.0° | 120.1° |
| C8 | C11 | H23 | H25 | 120.0° | 120.0° |
| C8 | C11 | H24 | H25 | 120.0° | 120.0° |
| C10 | C8 | O1 | C7 | 57.7° | 60.0° |
| C8 | C10 | H4 | H5 | 120.0° | 120.0° |
| C8 | C10 | H4 | H6 | 120.0° | 120.0° |
| C8 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C8 | C9 | H20 | 55.2° | 60.0° |
| C10 | C8 | C9 | H21 | 175.2° | 60.0° |
| C10 | C8 | C9 | H22 | 64.8° | 180.0° |
| C10 | C8 | C11 | H23 | 54.8° | 180.0° |
| C10 | C8 | C11 | H24 | 65.1° | 60.0° |
| C10 | C8 | C11 | H25 | 174.9° | 60.0° |
| C8 | O1 | C7 | O7 | 16.8° | 0.0° |
| C8 | O1 | C7 | N2 | 161.5° | 180.0° |
| O1 | C8 | C10 | H4 | 57.4° | 60.0° |
| O1 | C8 | C10 | H5 | 62.7° | 180.0° |
| O1 | C8 | C10 | H6 | 177.4° | 60.0° |
| O1 | C8 | C9 | H20 | 66.8° | 60.0° |
| O1 | C8 | C9 | H21 | 53.2° | 180.0° |
| O1 | C8 | C9 | H22 | 173.1° | 60.0° |
| O1 | C8 | C11 | H23 | 62.1° | 60.0° |
| O1 | C8 | C11 | H24 | 177.9° | 179.9° |
| O1 | C8 | C11 | H25 | 57.9° | 60.0° |
| O1 | C7 | O7 | N2 | 178.0° | 180.0° |
| O1 | C7 | N2 | C3 | 178.4° | 175.3° |
| O1 | C7 | N2 | H19 | 1.6° | 4.8° |
| O7 | C7 | N2 | C3 | 0.1° | 4.7° |
| O7 | C7 | N2 | H19 | 179.9° | 175.2° |
| C7 | N2 | C3 | H19 | 180.0° | 180.0° |
| C7 | N2 | C3 | C2 | 12.4° | 122.8° |
| C7 | N2 | C3 | C4 | 167.7° | 57.9° |
| N2 | C3 | C2 | C4 | 179.8° | 179.3° |
| N2 | C3 | C2 | C1 | 179.5° | 180.0° |
| N2 | C3 | C4 | O5 | 0.3° | 0.2° |
| N2 | C3 | C4 | N1 | 179.8° | 179.8° |
| N2 | C3 | C2 | H18 | 0.5° | 0.7° |
| C3 | C2 | C1 | H18 | 180.0° | 179.3° |
| C2 | C3 | C4 | O5 | 179.5° | 179.5° |
| C2 | C3 | C4 | N1 | 0.0° | 0.5° |
| C3 | C2 | C1 | C5 | 0.2° | 0.5° |
| C3 | C2 | C1 | H17 | 179.8° | 179.5° |
| C2 | C3 | N2 | H19 | 167.5° | 57.2° |
| C1 | C2 | C3 | C4 | 0.6° | 0.7° |
| C2 | C1 | C5 | H17 | 180.0° | 180.0° |
| C2 | C1 | C5 | N1 | 1.0° | 0.0° |
| C2 | C1 | C5 | H2 | 179.0° | 180.0° |
| C3 | C4 | O5 | N1 | 179.5° | 180.0° |
| C3 | C4 | N1 | C5 | 1.2° | 0.0° |
| C3 | C4 | N1 | C6 | 176.2° | 179.8° |
| C4 | C3 | C2 | H18 | 179.4° | 180.0° |
| C4 | C3 | N2 | H19 | 12.3° | 122.2° |
| O5 | C4 | N1 | C5 | 179.3° | 180.0° |
| O5 | C4 | N1 | C6 | 4.3° | 0.3° |
| C4 | N1 | C5 | C1 | 1.7° | 0.2° |
| C4 | N1 | C5 | C6 | 174.9° | 179.8° |
| C4 | N1 | C6 | C12 | 82.8° | 119.8° |
| C4 | N1 | C6 | C13 | 150.9° | 120.3° |
| C4 | N1 | C5 | H2 | 178.2° | 179.8° |
| C4 | N1 | C6 | H3 | 32.2° | 0.2° |
| C1 | C5 | N1 | H2 | 180.0° | 180.0° |
| C1 | C5 | N1 | C6 | 176.6° | 180.0° |
| C5 | C1 | C2 | H18 | 179.9° | 179.8° |
| C22 | N4 | C23 | H32 | 180.0° | 179.9° |
| N4 | C22 | C21 | H15 | 119.1° | 119.0° |
| N4 | C22 | C21 | H16 | 119.1° | 119.2° |
| C22 | N4 | C23 | O4 | 179.3° | 179.6° |
| C22 | N4 | C23 | C20 | 0.5° | 0.6° |
| N4 | C22 | C21 | C20 | 20.2° | 25.4° |
| N4 | C22 | C21 | H13 | 139.4° | 92.6° |
| N4 | C22 | C21 | H14 | 99.1° | 143.5° |
| N4 | C22 | H15 | H16 | 122.7° | 122.1° |
| C23 | N4 | C22 | C21 | 12.7° | 17.1° |
| N4 | C23 | O4 | C20 | 178.6° | 179.8° |
| N4 | C23 | C20 | C21 | 13.6° | 16.1° |
| N4 | C23 | C20 | C19 | 140.6° | 134.8° |
| N4 | C23 | C20 | H12 | 100.4° | 102.7° |
| C23 | N4 | C22 | H15 | 106.3° | 136.1° |
| C23 | N4 | C22 | H16 | 131.8° | 101.9° |
| C5 | N1 | C6 | C12 | 92.3° | 60.0° |
| C5 | N1 | C6 | C13 | 34.0° | 60.0° |
| C5 | N1 | C6 | H3 | 152.7° | 180.0° |
| N1 | C5 | C1 | H17 | 179.0° | 180.0° |
| N1 | C6 | C12 | C13 | 126.7° | 120.0° |
| N1 | C6 | C12 | H3 | 115.4° | 119.9° |
| N1 | C6 | C13 | H3 | 119.1° | 120.0° |
| N1 | C6 | C12 | O6 | 29.4° | 0.0° |
| N1 | C6 | C13 | C14 | 93.1° | 65.0° |
| N1 | C6 | C12 | N3 | 146.3° | 179.9° |
| C6 | N1 | C5 | H2 | 3.4° | 0.0° |
| N1 | C6 | C13 | H7 | 27.1° | 55.0° |
| N1 | C6 | C13 | H8 | 146.6° | 175.0° |
| C22 | C21 | C20 | C23 | 20.5° | 24.8° |
| C22 | C21 | C20 | H13 | 119.3° | 118.1° |
| C22 | C21 | C20 | H14 | 119.3° | 118.1° |
| C22 | C21 | C20 | C19 | 145.9° | 143.5° |
| C22 | C21 | C20 | H12 | 93.6° | 94.0° |
| C22 | C21 | H13 | H14 | 122.2° | 123.9° |
| C21 | C22 | H15 | H16 | 122.7° | 121.9° |
| C21 | C22 | N4 | H32 | 167.3° | 163.0° |
| O4 | C23 | C20 | C21 | 167.6° | 163.7° |
| O4 | C23 | C20 | C19 | 40.6° | 45.0° |
| O4 | C23 | C20 | H12 | 78.4° | 77.5° |
| O4 | C23 | N4 | H32 | 0.7° | 0.3° |
| C23 | C20 | C21 | C19 | 125.4° | 118.8° |
| C23 | C20 | C21 | H12 | 114.0° | 118.8° |
| C23 | C20 | C19 | H12 | 119.1° | 122.5° |
| C23 | C20 | C19 | C17 | 169.4° | 179.9° |
| C23 | C20 | C21 | H13 | 139.7° | 93.3° |
| C23 | C20 | C21 | H14 | 98.8° | 142.9° |
| C23 | C20 | C19 | H30 | 70.4° | 60.0° |
| C23 | C20 | C19 | H31 | 49.1° | 59.9° |
| C20 | C23 | N4 | H32 | 179.5° | 179.5° |
| C14 | C16 | C15 | H27 | 109.6° | 107.5° |
| C14 | C16 | C15 | H28 | 109.5° | 107.5° |
| C16 | C14 | C13 | C6 | 108.7° | 116.4° |
| C16 | C14 | C13 | C15 | 70.7° | 68.6° |
| C16 | C14 | C13 | H26 | 143.6° | 145.7° |
| C16 | C14 | C15 | H26 | 105.7° | 107.5° |
| C16 | C14 | C13 | H7 | 11.5° | 3.6° |
| C16 | C14 | C13 | H8 | 131.0° | 123.6° |
| C14 | C16 | C15 | H9 | 109.4° | 107.6° |
| C14 | C16 | C15 | H10 | 109.4° | 107.5° |
| C14 | C16 | H27 | H28 | 144.6° | 145.8° |
| C16 | C15 | H9 | H10 | 144.8° | 145.6° |
| C15 | C16 | H27 | H28 | 144.5° | 145.7° |
| C12 | C6 | C13 | H3 | 118.0° | 120.0° |
| C6 | C12 | O6 | N3 | 175.5° | 179.9° |
| C12 | C6 | C13 | C14 | 143.9° | 175.0° |
| C6 | C12 | N3 | C17 | 173.3° | 180.0° |
| C6 | C12 | N3 | H1 | 6.7° | 0.1° |
| C12 | C6 | C13 | H7 | 95.9° | 65.0° |
| C12 | C6 | C13 | H8 | 23.7° | 55.0° |
| C13 | C6 | C12 | O6 | 97.3° | 120.0° |
| C6 | C13 | C14 | H7 | 120.2° | 120.0° |
| C6 | C13 | C14 | H8 | 120.2° | 120.1° |
| C6 | C13 | C14 | C15 | 179.5° | 175.0° |
| C13 | C6 | C12 | N3 | 87.0° | 60.0° |
| C6 | C13 | H7 | H8 | 119.3° | 120.1° |
| C6 | C13 | C14 | H26 | 34.9° | 29.3° |
| C21 | C20 | C19 | H12 | 120.6° | 122.5° |
| C21 | C20 | C19 | C17 | 70.4° | 65.0° |
| C20 | C21 | H13 | H14 | 122.1° | 123.8° |
| C20 | C21 | C22 | H15 | 98.9° | 144.4° |
| C20 | C21 | C22 | H16 | 139.2° | 93.7° |
| C21 | C20 | C19 | H30 | 49.9° | 175.0° |
| C21 | C20 | C19 | H31 | 169.4° | 55.0° |
| C20 | C19 | C17 | N3 | 59.2° | 66.3° |
| C20 | C19 | C17 | H30 | 120.3° | 120.0° |
| C20 | C19 | C17 | H31 | 120.3° | 120.0° |
| C20 | C19 | C17 | C18 | 178.3° | 173.7° |
| C20 | C19 | C17 | H11 | 57.3° | 53.7° |
| C19 | C20 | C21 | H13 | 94.9° | 25.4° |
| C19 | C20 | C21 | H14 | 26.6° | 98.4° |
| C20 | C19 | H30 | H31 | 119.2° | 119.9° |
| O6 | C12 | N3 | C17 | 11.0° | 0.0° |
| O6 | C12 | N3 | H1 | 169.0° | 180.0° |
| O6 | C12 | C6 | H3 | 144.7° | 119.9° |
| C13 | C14 | C15 | H26 | 145.6° | 145.0° |
| C14 | C13 | C6 | H3 | 25.9° | 55.0° |
| C14 | C13 | H7 | H8 | 119.3° | 120.0° |
| C13 | C14 | C15 | H9 | 142.0° | 0.0° |
| C13 | C14 | C15 | H10 | 0.8° | 145.0° |
| C13 | C14 | C16 | H27 | 139.5° | 0.0° |
| C13 | C14 | C16 | H28 | 1.4° | 145.1° |
| C15 | C14 | C13 | H7 | 59.2° | 65.0° |
| C15 | C14 | C13 | H8 | 60.3° | 54.9° |
| C14 | C15 | H9 | H10 | 144.8° | 145.7° |
| C12 | N3 | C17 | H1 | 180.0° | 179.9° |
| C12 | N3 | C17 | C19 | 115.8° | 143.7° |
| C12 | N3 | C17 | C18 | 114.1° | 96.3° |
| N3 | C12 | C6 | H3 | 30.9° | 60.0° |
| C12 | N3 | C17 | H11 | 0.1° | 23.6° |
| N3 | C17 | C19 | C18 | 122.6° | 120.0° |
| N3 | C17 | C19 | H11 | 116.5° | 120.0° |
| N3 | C17 | C18 | H11 | 114.6° | 119.9° |
| N3 | C17 | C18 | O2 | 43.8° | 60.1° |
| N3 | C17 | C18 | C24 | 162.9° | 60.0° |
| N3 | C17 | C18 | H29 | 77.9° | 179.9° |
| N3 | C17 | C19 | H30 | 179.4° | 53.7° |
| N3 | C17 | C19 | H31 | 61.1° | 173.8° |
| C19 | C17 | C18 | H11 | 121.0° | 120.1° |
| C19 | C17 | C18 | O2 | 168.2° | 60.0° |
| C19 | C17 | C18 | C24 | 72.8° | 180.0° |
| C19 | C17 | N3 | H1 | 64.2° | 36.4° |
| C17 | C19 | C20 | H12 | 50.3° | 57.5° |
| C19 | C17 | C18 | H29 | 46.4° | 60.0° |
| C17 | C19 | H30 | H31 | 119.1° | 120.0° |
| C17 | C18 | O2 | C24 | 118.9° | 120.0° |
| C17 | C18 | O2 | H29 | 120.9° | 120.0° |
| C17 | C18 | C24 | H29 | 119.0° | 119.9° |
| C17 | C18 | C24 | N5 | 63.5° | 65.0° |
| C17 | C18 | C24 | O3 | 116.3° | 115.0° |
| C18 | C17 | N3 | H1 | 65.9° | 83.6° |
| C18 | C17 | C19 | H30 | 58.0° | 66.3° |
| C18 | C17 | C19 | H31 | 61.4° | 53.8° |
| C17 | C18 | O2 | H33 | 117.3° | 60.1° |
| O2 | C18 | C24 | H29 | 120.9° | 120.0° |
| O2 | C18 | C24 | N5 | 176.4° | 175.0° |
| O2 | C18 | C24 | O3 | 3.8° | 5.0° |
| O2 | C18 | C17 | H11 | 70.8° | 180.0° |
| C18 | C24 | N5 | O3 | 179.7° | 180.0° |
| C24 | C18 | C17 | H11 | 48.2° | 59.9° |
| C24 | C18 | O2 | H33 | 1.7° | 60.0° |
| C18 | C24 | N5 | H34 | 179.7° | 180.0° |
| C18 | C24 | N5 | H35 | 0.3° | 0.0° |
| N5 | C24 | C18 | H29 | 55.6° | 55.0° |
| C24 | N5 | H34 | H35 | 180.0° | 180.0° |
| O3 | C24 | C18 | H29 | 124.7° | 125.0° |
| O3 | C24 | N5 | H34 | 0.0° | 0.0° |
| O3 | C24 | N5 | H35 | 180.0° | 180.0° |
| H1 | N3 | C17 | H11 | 179.9° | 156.4° |
| H2 | C5 | C1 | H17 | 1.0° | 0.0° |
| H3 | C6 | C13 | H7 | 146.2° | 175.0° |
| H3 | C6 | C13 | H8 | 94.3° | 65.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C13 | C14 | H26 | 155.1° | 149.3° |
| H8 | C13 | C14 | H26 | 85.4° | 90.7° |
| H9 | C15 | C14 | H26 | 3.7° | 145.0° |
| H9 | C15 | C16 | H27 | 0.2° | 0.1° |
| H9 | C15 | C16 | H28 | 141.0° | 145.0° |
| H10 | C15 | C14 | H26 | 144.8° | 0.0° |
| H10 | C15 | C16 | H27 | 141.0° | 145.0° |
| H10 | C15 | C16 | H28 | 0.2° | 0.0° |
| H11 | C17 | C18 | H29 | 167.4° | 60.0° |
| H11 | C17 | C19 | H30 | 63.0° | 173.7° |
| H11 | C17 | C19 | H31 | 177.6° | 66.3° |
| H12 | C20 | C21 | H13 | 25.7° | 147.9° |
| H12 | C20 | C21 | H14 | 147.2° | 24.1° |
| H12 | C20 | C19 | H30 | 170.5° | 62.5° |
| H12 | C20 | C19 | H31 | 70.0° | 177.5° |
| H13 | C21 | C22 | H15 | 20.3° | 26.4° |
| H13 | C21 | C22 | H16 | 101.5° | 148.2° |
| H14 | C21 | C22 | H15 | 141.8° | 97.5° |
| H14 | C21 | C22 | H16 | 20.0° | 24.4° |
| H15 | C22 | N4 | H32 | 73.7° | 44.0° |
| H16 | C22 | N4 | H32 | 48.2° | 78.0° |
| H17 | C1 | C2 | H18 | 0.2° | 0.2° |
| H20 | C9 | H21 | H22 | 120.0° | 120.0° |
| H23 | C11 | H24 | H25 | 120.0° | 120.0° |
| H26 | C14 | C16 | H27 | 4.0° | 145.0° |
| H26 | C14 | C16 | H28 | 144.9° | 0.1° |
| H29 | C18 | O2 | H33 | 121.8° | 180.0° |
