ZIE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C5 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C3 | C8 | sing | 1.53Å | 1.54Å | |
| O5 | C8 | sing | 1.43Å | 1.43Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C8 | O6 | sing | 1.43Å | 1.38Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| O6 | C9 | sing | 1.43Å | 1.43Å | |
| O7 | C10 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C16 | O10 | sing | 1.43Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | O9 | sing | 1.43Å | 1.43Å | |
| O8 | C12 | doub | 1.21Å | 1.23Å | |
| C11 | N2 | sing | 1.47Å | 1.45Å | |
| C11 | C14 | sing | 1.53Å | 1.50Å | |
| O9 | C14 | sing | 1.43Å | 1.42Å | |
| C12 | N2 | sing | 1.35Å | 1.32Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C14 | O11 | sing | 1.43Å | 1.41Å | |
| O11 | C17 | sing | 1.36Å | 1.39Å | |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N3 | sing | 1.48Å | 1.49Å | |
| N3 | O12 | doub | 1.22Å | 1.24Å | |
| N3 | O13 | sing | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| N1 | H22 | sing | 0.97Å | 1.00Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å | |
| O3 | H24 | sing | 0.97Å | 0.95Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| O4 | H26 | sing | 0.97Å | 0.95Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| O10 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C5 | C4 | 108.7° | 109.6° |
| O3 | C5 | C6 | 107.4° | 109.5° |
| O3 | C5 | H6 | 110.9° | 109.5° |
| C5 | O3 | H24 | 109.5° | 114.0° |
| O2 | C4 | C5 | 111.9° | 109.7° |
| O2 | C4 | C3 | 110.0° | 109.5° |
| O2 | C4 | H5 | 108.9° | 109.5° |
| C4 | O2 | H23 | 109.5° | 114.0° |
| C4 | C5 | C6 | 111.0° | 109.2° |
| C5 | C4 | C3 | 110.8° | 109.0° |
| C5 | C4 | H5 | 107.4° | 109.6° |
| C4 | C5 | H6 | 109.4° | 109.5° |
| C5 | C6 | C7 | 115.4° | 109.4° |
| C5 | C6 | O5 | 109.2° | 109.4° |
| C6 | C5 | H6 | 109.4° | 109.5° |
| C5 | C6 | H25 | 108.0° | 109.4° |
| C4 | C3 | N1 | 112.0° | 109.5° |
| C4 | C3 | C8 | 108.4° | 109.2° |
| C4 | C3 | H4 | 107.5° | 109.6° |
| C3 | C4 | H5 | 107.6° | 109.5° |
| C6 | C7 | O4 | 110.4° | 109.4° |
| C7 | C6 | O5 | 106.7° | 109.5° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| C6 | C7 | H8 | 109.2° | 109.5° |
| C7 | C6 | H25 | 108.3° | 109.5° |
| O4 | C7 | H7 | 109.3° | 109.5° |
| O4 | C7 | H8 | 109.2° | 109.5° |
| C7 | O4 | H26 | 109.5° | 114.0° |
| C6 | O5 | C8 | 110.9° | 114.1° |
| O5 | C6 | H25 | 109.3° | 109.5° |
| N1 | C3 | C8 | 113.1° | 109.5° |
| C3 | N1 | C2 | 124.2° | 120.0° |
| N1 | C3 | H4 | 108.3° | 109.5° |
| C3 | N1 | H22 | 117.9° | 120.0° |
| C3 | C8 | O5 | 111.1° | 109.4° |
| C3 | C8 | O6 | 109.7° | 109.5° |
| C8 | C3 | H4 | 107.3° | 109.5° |
| C3 | C8 | H27 | 107.5° | 109.4° |
| O5 | C8 | O6 | 110.2° | 109.5° |
| O5 | C8 | H27 | 108.8° | 109.5° |
| N1 | C2 | O1 | 121.0° | 120.0° |
| N1 | C2 | C1 | 116.9° | 120.0° |
| C2 | N1 | H22 | 117.9° | 120.0° |
| C8 | O6 | C9 | 118.3° | 114.0° |
| O6 | C8 | H27 | 109.5° | 109.5° |
| O1 | C2 | C1 | 121.9° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| O6 | C9 | C10 | 110.6° | 109.5° |
| O6 | C9 | C15 | 106.0° | 109.5° |
| O6 | C9 | H9 | 110.8° | 109.5° |
| O7 | C10 | C9 | 112.8° | 109.5° |
| O7 | C10 | C11 | 110.7° | 109.6° |
| O7 | C10 | H10 | 109.0° | 109.6° |
| C10 | O7 | H28 | 109.5° | 114.0° |
| C10 | C9 | C15 | 110.5° | 109.2° |
| C9 | C10 | C11 | 108.9° | 109.0° |
| C10 | C9 | H9 | 109.4° | 109.6° |
| C9 | C10 | H10 | 107.6° | 109.6° |
| C9 | C15 | C16 | 114.0° | 109.5° |
| C9 | C15 | O9 | 108.4° | 109.4° |
| C15 | C9 | H9 | 109.5° | 109.5° |
| C9 | C15 | H15 | 109.0° | 109.5° |
| C15 | C16 | O10 | 111.1° | 109.5° |
| C16 | C15 | O9 | 105.9° | 109.5° |
| C16 | C15 | H15 | 109.3° | 109.5° |
| C15 | C16 | H16 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.1° | 109.5° |
| O10 | C16 | H16 | 109.1° | 109.5° |
| O10 | C16 | H17 | 109.1° | 109.5° |
| C16 | O10 | H31 | 109.5° | 114.0° |
| C10 | C11 | N2 | 111.9° | 109.5° |
| C10 | C11 | C14 | 110.6° | 109.2° |
| C11 | C10 | H10 | 107.7° | 109.5° |
| C10 | C11 | H29 | 108.8° | 109.5° |
| C15 | O9 | C14 | 113.9° | 114.2° |
| O9 | C15 | H15 | 110.3° | 109.5° |
| O8 | C12 | N2 | 121.7° | 120.0° |
| O8 | C12 | C13 | 123.4° | 120.0° |
| N2 | C11 | C14 | 106.7° | 109.5° |
| C11 | N2 | C12 | 124.2° | 120.0° |
| N2 | C11 | H29 | 109.8° | 109.5° |
| C11 | N2 | H30 | 117.9° | 120.0° |
| C11 | C14 | O9 | 111.3° | 109.4° |
| C11 | C14 | O11 | 107.0° | 109.5° |
| C11 | C14 | H14 | 108.5° | 109.4° |
| C14 | C11 | H29 | 109.1° | 109.6° |
| O9 | C14 | O11 | 110.8° | 109.5° |
| O9 | C14 | H14 | 109.6° | 109.5° |
| N2 | C12 | C13 | 114.9° | 120.0° |
| C12 | N2 | H30 | 117.9° | 120.0° |
| C12 | C13 | H11 | 109.5° | 109.4° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C14 | O11 | C17 | 118.4° | 117.0° |
| O11 | C14 | H14 | 109.6° | 109.5° |
| O11 | C17 | C22 | 121.7° | 120.0° |
| O11 | C17 | C18 | 117.4° | 120.1° |
| C22 | C17 | C18 | 120.9° | 119.9° |
| C17 | C22 | C21 | 120.0° | 119.9° |
| C17 | C22 | H21 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C22 | C21 | C20 | 118.9° | 120.1° |
| C22 | C21 | H20 | 120.6° | 119.9° |
| C21 | C22 | H21 | 120.0° | 120.1° |
| C18 | C19 | C20 | 119.0° | 120.0° |
| C19 | C18 | H18 | 120.0° | 120.0° |
| C18 | C19 | H19 | 120.5° | 120.0° |
| C21 | C20 | C19 | 121.2° | 120.1° |
| C21 | C20 | N3 | 119.7° | 119.9° |
| C20 | C21 | H20 | 120.6° | 120.0° |
| C19 | C20 | N3 | 119.0° | 119.9° |
| C20 | C19 | H19 | 120.5° | 120.0° |
| C20 | N3 | O12 | 119.8° | 119.9° |
| C20 | N3 | O13 | 117.1° | 120.0° |
| O12 | N3 | O13 | 123.0° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C5 | C4 | O2 | 66.5° | 63.2° |
| O3 | C5 | C4 | C6 | 117.9° | 119.9° |
| O3 | C5 | C4 | H6 | 121.3° | 120.2° |
| O3 | C5 | C6 | H6 | 120.5° | 120.1° |
| O3 | C5 | C4 | C3 | 170.3° | 176.9° |
| O3 | C5 | C6 | C7 | 64.8° | 62.5° |
| O3 | C5 | C6 | O5 | 175.2° | 177.6° |
| O3 | C5 | C4 | H5 | 53.0° | 57.0° |
| O3 | C5 | C6 | H25 | 56.5° | 57.5° |
| O2 | C4 | C5 | C3 | 123.2° | 119.9° |
| O2 | C4 | C5 | H5 | 119.5° | 120.2° |
| O2 | C4 | C5 | C6 | 175.7° | 176.9° |
| O2 | C4 | C3 | H5 | 118.5° | 120.1° |
| O2 | C4 | C3 | N1 | 58.3° | 63.1° |
| O2 | C4 | C3 | C8 | 176.2° | 176.9° |
| O2 | C4 | C3 | H4 | 60.6° | 57.0° |
| O2 | C4 | C5 | H6 | 54.8° | 57.0° |
| C4 | C5 | C6 | H6 | 120.9° | 119.9° |
| C5 | C4 | C3 | H5 | 117.2° | 119.9° |
| C4 | C5 | C6 | C7 | 176.5° | 177.6° |
| C4 | C5 | C6 | O5 | 56.5° | 57.6° |
| C5 | C4 | C3 | N1 | 177.4° | 176.9° |
| C5 | C4 | C3 | C8 | 52.0° | 56.9° |
| C5 | C4 | C3 | H4 | 63.7° | 63.0° |
| C5 | C4 | O2 | H23 | 180.0° | 60.4° |
| C4 | C5 | O3 | H24 | 180.0° | 180.0° |
| C4 | C5 | C6 | H25 | 62.2° | 62.4° |
| C6 | C5 | C4 | C3 | 52.4° | 57.0° |
| C5 | C6 | C7 | O5 | 121.4° | 119.9° |
| C5 | C6 | C7 | H25 | 121.1° | 120.0° |
| C5 | C6 | C7 | O4 | 178.7° | 175.0° |
| C5 | C6 | O5 | H25 | 117.9° | 120.0° |
| C5 | C6 | O5 | C8 | 63.0° | 61.2° |
| C6 | C5 | C4 | H5 | 64.8° | 62.9° |
| C5 | C6 | C7 | H7 | 61.1° | 55.0° |
| C5 | C6 | C7 | H8 | 58.6° | 65.0° |
| C6 | C5 | O3 | H24 | 59.9° | 60.3° |
| C4 | C3 | N1 | C8 | 122.8° | 119.7° |
| C4 | C3 | N1 | H4 | 118.3° | 120.2° |
| C4 | C3 | C8 | H4 | 115.8° | 120.0° |
| C4 | C3 | C8 | O5 | 58.3° | 57.6° |
| C4 | C3 | N1 | C2 | 119.5° | 155.3° |
| C4 | C3 | C8 | O6 | 179.6° | 177.6° |
| C3 | C4 | C5 | H6 | 68.4° | 63.0° |
| C4 | C3 | N1 | H22 | 60.5° | 24.7° |
| C3 | C4 | O2 | H23 | 56.3° | 180.0° |
| C4 | C3 | C8 | H27 | 60.6° | 62.4° |
| C6 | C7 | O4 | H7 | 120.1° | 120.0° |
| C6 | C7 | O4 | H8 | 120.1° | 120.0° |
| C7 | C6 | O5 | H25 | 116.9° | 120.1° |
| C7 | C6 | O5 | C8 | 171.8° | 178.9° |
| C7 | C6 | C5 | H6 | 55.7° | 57.6° |
| C6 | C7 | H7 | H8 | 119.6° | 120.1° |
| C6 | C7 | O4 | H26 | 180.0° | 180.0° |
| O4 | C7 | C6 | O5 | 57.3° | 65.1° |
| O4 | C7 | H7 | H8 | 119.6° | 120.0° |
| O4 | C7 | C6 | H25 | 60.2° | 55.0° |
| C6 | O5 | C8 | C3 | 65.2° | 61.2° |
| C6 | O5 | C8 | O6 | 173.0° | 178.8° |
| O5 | C6 | C5 | H6 | 64.4° | 62.3° |
| O5 | C6 | C7 | H7 | 177.5° | 174.9° |
| O5 | C6 | C7 | H8 | 62.8° | 54.8° |
| C6 | O5 | C8 | H27 | 53.0° | 58.8° |
| N1 | C3 | C8 | H4 | 119.4° | 120.1° |
| N1 | C3 | C8 | O5 | 176.9° | 177.5° |
| C3 | N1 | C2 | H22 | 180.0° | 180.0° |
| N1 | C3 | C8 | O6 | 54.8° | 62.5° |
| C3 | N1 | C2 | O1 | 5.4° | 0.0° |
| C3 | N1 | C2 | C1 | 178.6° | 180.0° |
| N1 | C3 | C4 | H5 | 60.2° | 57.0° |
| N1 | C3 | C8 | H27 | 64.2° | 57.6° |
| C3 | C8 | O5 | O6 | 121.8° | 120.0° |
| C3 | C8 | O5 | H27 | 118.2° | 120.0° |
| C8 | C3 | N1 | C2 | 117.6° | 85.0° |
| C3 | C8 | O6 | H27 | 117.8° | 120.0° |
| C3 | C8 | O6 | C9 | 162.0° | 175.5° |
| C8 | C3 | C4 | H5 | 65.2° | 62.9° |
| C8 | C3 | N1 | H22 | 62.4° | 95.0° |
| O5 | C8 | O6 | H27 | 119.6° | 120.0° |
| O5 | C8 | O6 | C9 | 75.4° | 64.6° |
| O5 | C8 | C3 | H4 | 57.5° | 62.4° |
| C8 | O5 | C6 | H25 | 54.9° | 58.8° |
| N1 | C2 | O1 | C1 | 175.8° | 180.0° |
| N1 | C2 | C1 | H1 | 176.0° | 90.0° |
| N1 | C2 | C1 | H2 | 55.9° | 30.0° |
| N1 | C2 | C1 | H3 | 64.0° | 150.0° |
| C2 | N1 | C3 | H4 | 1.2° | 35.1° |
| C8 | O6 | C9 | C10 | 106.7° | 123.4° |
| C8 | O6 | C9 | C15 | 133.6° | 117.0° |
| O6 | C8 | C3 | H4 | 64.6° | 57.6° |
| C8 | O6 | C9 | H9 | 14.9° | 3.2° |
| O1 | C2 | C1 | H1 | 0.0° | 90.0° |
| O1 | C2 | C1 | H2 | 120.0° | 150.0° |
| O1 | C2 | C1 | H3 | 120.0° | 30.0° |
| O1 | C2 | N1 | H22 | 174.5° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N1 | H22 | 1.5° | 0.0° |
| O6 | C9 | C10 | O7 | 64.3° | 63.3° |
| O6 | C9 | C10 | C15 | 117.0° | 119.9° |
| O6 | C9 | C10 | H9 | 122.4° | 120.2° |
| O6 | C9 | C15 | H9 | 119.6° | 120.2° |
| O6 | C9 | C15 | C16 | 64.7° | 62.5° |
| O6 | C9 | C10 | C11 | 172.4° | 176.9° |
| O6 | C9 | C15 | O9 | 177.7° | 177.5° |
| O6 | C9 | C10 | H10 | 56.0° | 57.0° |
| O6 | C9 | C15 | H15 | 57.7° | 57.5° |
| C9 | O6 | C8 | H27 | 44.2° | 55.5° |
| O7 | C10 | C9 | C11 | 123.3° | 119.8° |
| O7 | C10 | C9 | H10 | 120.3° | 120.3° |
| O7 | C10 | C9 | C15 | 178.7° | 176.9° |
| O7 | C10 | C11 | H10 | 119.1° | 120.3° |
| O7 | C10 | C11 | N2 | 63.3° | 63.3° |
| O7 | C10 | C11 | C14 | 178.0° | 176.8° |
| O7 | C10 | C9 | H9 | 58.1° | 56.9° |
| O7 | C10 | C11 | H29 | 58.1° | 56.8° |
| C10 | C9 | C15 | H9 | 120.6° | 120.0° |
| C10 | C9 | C15 | C16 | 175.4° | 177.6° |
| C9 | C10 | C11 | H10 | 116.4° | 119.9° |
| C10 | C9 | C15 | O9 | 57.9° | 57.6° |
| C9 | C10 | C11 | N2 | 172.2° | 176.9° |
| C9 | C10 | C11 | C14 | 53.4° | 57.0° |
| C10 | C9 | C15 | H15 | 62.2° | 62.4° |
| C9 | C10 | O7 | H28 | 180.0° | 180.0° |
| C9 | C10 | C11 | H29 | 66.4° | 63.0° |
| C9 | C15 | C16 | O9 | 119.0° | 119.9° |
| C9 | C15 | C16 | H15 | 122.3° | 120.0° |
| C9 | C15 | C16 | O10 | 172.9° | 174.7° |
| C15 | C9 | C10 | C11 | 55.4° | 57.0° |
| C9 | C15 | O9 | H15 | 119.3° | 120.0° |
| C9 | C15 | O9 | C14 | 60.7° | 61.2° |
| C15 | C9 | C10 | H10 | 61.0° | 62.9° |
| C9 | C15 | C16 | H16 | 52.7° | 54.6° |
| C9 | C15 | C16 | H17 | 66.8° | 65.3° |
| C15 | C16 | O10 | H16 | 120.2° | 120.0° |
| C15 | C16 | O10 | H17 | 120.2° | 120.0° |
| C16 | C15 | O9 | H15 | 118.1° | 120.1° |
| C16 | C15 | O9 | C14 | 176.7° | 178.9° |
| C16 | C15 | C9 | H9 | 54.8° | 57.6° |
| C15 | C16 | H16 | H17 | 119.2° | 120.0° |
| C15 | C16 | O10 | H31 | 180.0° | 179.9° |
| O10 | C16 | C15 | O9 | 68.1° | 65.4° |
| O10 | C16 | C15 | H15 | 50.7° | 54.6° |
| O10 | C16 | H16 | H17 | 119.3° | 120.0° |
| C10 | C11 | N2 | C14 | 121.1° | 119.7° |
| C10 | C11 | N2 | H29 | 120.9° | 120.1° |
| C10 | C11 | C14 | H29 | 119.6° | 120.0° |
| C10 | C11 | C14 | O9 | 55.3° | 57.6° |
| C10 | C11 | N2 | C12 | 110.0° | 155.0° |
| C10 | C11 | C14 | O11 | 176.5° | 177.6° |
| C11 | C10 | C9 | H9 | 65.2° | 62.9° |
| C10 | C11 | C14 | H14 | 65.3° | 62.4° |
| C11 | C10 | O7 | H28 | 57.7° | 60.5° |
| C10 | C11 | N2 | H30 | 70.0° | 25.0° |
| C15 | O9 | C14 | C11 | 60.3° | 61.1° |
| C15 | O9 | C14 | O11 | 179.2° | 178.8° |
| O9 | C15 | C9 | H9 | 62.7° | 62.3° |
| C15 | O9 | C14 | H14 | 59.7° | 58.8° |
| O9 | C15 | C16 | H16 | 171.7° | 174.5° |
| O9 | C15 | C16 | H17 | 52.2° | 54.6° |
| O8 | C12 | N2 | C11 | 2.0° | 0.0° |
| O8 | C12 | N2 | C13 | 178.1° | 180.0° |
| O8 | C12 | C13 | H11 | 0.0° | 120.0° |
| O8 | C12 | C13 | H12 | 120.0° | 0.0° |
| O8 | C12 | C13 | H13 | 120.0° | 120.0° |
| O8 | C12 | N2 | H30 | 178.0° | 180.0° |
| N2 | C11 | C14 | H29 | 118.5° | 120.1° |
| N2 | C11 | C14 | O9 | 177.2° | 177.5° |
| C11 | N2 | C12 | H30 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 176.1° | 180.0° |
| N2 | C11 | C14 | O11 | 61.6° | 62.5° |
| N2 | C11 | C10 | H10 | 55.8° | 57.0° |
| N2 | C11 | C14 | H14 | 56.6° | 57.6° |
| C11 | C14 | O9 | O11 | 119.0° | 120.0° |
| C11 | C14 | O9 | H14 | 120.0° | 119.9° |
| C14 | C11 | N2 | C12 | 128.9° | 85.3° |
| C11 | C14 | O11 | H14 | 117.4° | 120.0° |
| C11 | C14 | O11 | C17 | 163.9° | 175.0° |
| C14 | C11 | C10 | H10 | 62.9° | 62.9° |
| C14 | C11 | N2 | H30 | 51.1° | 94.7° |
| O9 | C14 | O11 | H14 | 121.1° | 120.1° |
| O9 | C14 | O11 | C17 | 74.6° | 65.0° |
| C14 | O9 | C15 | H15 | 58.6° | 58.8° |
| O9 | C14 | C11 | H29 | 64.3° | 62.4° |
| N2 | C12 | C13 | H11 | 178.1° | 60.0° |
| N2 | C12 | C13 | H12 | 58.1° | 180.0° |
| N2 | C12 | C13 | H13 | 61.9° | 60.0° |
| C12 | N2 | C11 | H29 | 10.9° | 34.9° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H13 | 120.0° | 120.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C12 | N2 | H30 | 3.9° | 0.1° |
| C14 | O11 | C17 | C22 | 19.0° | 180.0° |
| C14 | O11 | C17 | C18 | 161.1° | 0.3° |
| O11 | C14 | C11 | H29 | 56.9° | 57.6° |
| O11 | C17 | C22 | C18 | 179.9° | 179.7° |
| O11 | C17 | C22 | C21 | 179.9° | 179.8° |
| O11 | C17 | C18 | C19 | 179.9° | 179.7° |
| C17 | O11 | C14 | H14 | 46.5° | 55.0° |
| O11 | C17 | C18 | H18 | 0.1° | 0.4° |
| O11 | C17 | C22 | H21 | 0.1° | 0.3° |
| C17 | C22 | C21 | H21 | 180.0° | 179.9° |
| C22 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C22 | C21 | C20 | 0.9° | 0.1° |
| C22 | C17 | C18 | H18 | 180.0° | 179.9° |
| C17 | C22 | C21 | H20 | 179.1° | 180.0° |
| C18 | C17 | C22 | C21 | 0.0° | 0.1° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.8° | 0.0° |
| C17 | C18 | C19 | H19 | 179.1° | 180.0° |
| C18 | C17 | C22 | H21 | 179.9° | 180.0° |
| C22 | C21 | C20 | H20 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.8° | 0.1° |
| C22 | C21 | C20 | N3 | 178.4° | 179.9° |
| C18 | C19 | C20 | C21 | 1.7° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | N3 | 178.4° | 180.0° |
| C21 | C20 | C19 | N3 | 176.6° | 180.0° |
| C21 | C20 | N3 | O12 | 21.6° | 179.9° |
| C21 | C20 | N3 | O13 | 155.3° | 0.0° |
| C21 | C20 | C19 | H19 | 178.2° | 179.9° |
| C20 | C21 | C22 | H21 | 179.1° | 180.0° |
| C19 | C20 | N3 | O12 | 161.7° | 0.1° |
| C19 | C20 | N3 | O13 | 21.4° | 180.0° |
| C20 | C19 | C18 | H18 | 179.2° | 179.9° |
| C19 | C20 | C21 | H20 | 178.2° | 180.0° |
| C20 | N3 | O12 | O13 | 176.7° | 179.9° |
| N3 | C20 | C19 | H19 | 1.6° | 0.1° |
| N3 | C20 | C21 | H20 | 1.6° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 179.1° | 177.2° |
| H4 | C3 | N1 | H22 | 178.8° | 144.9° |
| H4 | C3 | C8 | H27 | 176.4° | 177.6° |
| H5 | C4 | C5 | H6 | 174.3° | 177.2° |
| H5 | C4 | O2 | H23 | 61.4° | 59.9° |
| H6 | C5 | O3 | H24 | 59.6° | 59.8° |
| H6 | C5 | C6 | H25 | 176.9° | 177.7° |
| H7 | C7 | C6 | H25 | 60.0° | 64.9° |
| H7 | C7 | O4 | H26 | 59.9° | 60.0° |
| H8 | C7 | C6 | H25 | 179.7° | 175.0° |
| H8 | C7 | O4 | H26 | 59.9° | 60.1° |
| H9 | C9 | C10 | H10 | 178.4° | 177.2° |
| H9 | C9 | C15 | H15 | 177.2° | 177.7° |
| H10 | C10 | O7 | H28 | 60.5° | 59.8° |
| H10 | C10 | C11 | H29 | 177.3° | 177.1° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H14 | C14 | C11 | H29 | 175.1° | 177.7° |
| H15 | C15 | C16 | H16 | 69.6° | 65.4° |
| H15 | C15 | C16 | H17 | 170.9° | 174.6° |
| H16 | C16 | O10 | H31 | 59.8° | 59.9° |
| H17 | C16 | O10 | H31 | 59.8° | 60.0° |
| H18 | C18 | C19 | H19 | 0.9° | 0.1° |
| H20 | C21 | C22 | H21 | 0.9° | 0.0° |
| H29 | C11 | N2 | H30 | 169.1° | 145.1° |
