WAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C5 | sing | 1.43Å | 1.41Å | |
| O8 | N4 | doub | 1.22Å | 1.44Å | |
| C9 | N2 | sing | 1.46Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.58Å | |
| N2 | C10 | sing | 1.35Å | 1.50Å | |
| O9 | N4 | sing | 1.22Å | 1.41Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| O6 | C10 | sing | 1.35Å | 1.42Å | |
| O6 | C11 | sing | 1.45Å | 1.42Å | |
| N4 | C18 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C10 | O7 | doub | 1.21Å | 1.20Å | |
| C6 | C1 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.59Å | |
| C12 | N3 | sing | 1.47Å | 1.47Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| N3 | C13 | sing | 1.40Å | 1.46Å | |
| C18 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.39Å | 1.44Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C7 | sing | 1.53Å | 1.58Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N5 | sing | 1.40Å | 1.47Å | |
| C7 | O1 | sing | 1.43Å | 1.39Å | |
| N5 | N6 | sing | 1.37Å | 1.44Å | |
| N6 | N7 | sing | 1.45Å | 1.43Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 1.01Å | 1.00Å | |
| N7 | H26 | sing | 1.01Å | 1.00Å | |
| N7 | H27 | sing | 1.01Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å | |
| O5 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C5 | C6 | 114.3° | 109.5° |
| O5 | C5 | C4 | 115.0° | 109.5° |
| O5 | C5 | H5 | 104.2° | 109.4° |
| C5 | O5 | H32 | 109.5° | 114.0° |
| O8 | N4 | O9 | 117.9° | 120.0° |
| O8 | N4 | C18 | 124.3° | 120.0° |
| N2 | C9 | C8 | 112.0° | 109.5° |
| C9 | N2 | C10 | 120.3° | 120.0° |
| N2 | C9 | H21 | 108.8° | 109.4° |
| N2 | C9 | H22 | 108.8° | 109.5° |
| C9 | N2 | H23 | 119.9° | 120.0° |
| C9 | C8 | N1 | 111.6° | 109.5° |
| C9 | C8 | H9 | 109.0° | 109.5° |
| C9 | C8 | H10 | 108.9° | 109.5° |
| C8 | C9 | H21 | 108.8° | 109.5° |
| C8 | C9 | H22 | 108.8° | 109.5° |
| N2 | C10 | O6 | 121.4° | 120.0° |
| N2 | C10 | O7 | 120.4° | 120.0° |
| C10 | N2 | H23 | 119.8° | 120.0° |
| O9 | N4 | C18 | 117.8° | 120.0° |
| C8 | N1 | C6 | 109.4° | 111.0° |
| C8 | N1 | H1 | 109.5° | 111.0° |
| N1 | C8 | H9 | 108.9° | 109.5° |
| N1 | C8 | H10 | 109.0° | 109.5° |
| N1 | C6 | C5 | 111.5° | 109.5° |
| N1 | C6 | C1 | 111.4° | 109.5° |
| C6 | N1 | H1 | 109.5° | 111.0° |
| N1 | C6 | H6 | 108.7° | 109.4° |
| C10 | O6 | C11 | 111.4° | 117.0° |
| O6 | C10 | O7 | 118.2° | 120.0° |
| O6 | C11 | C12 | 107.8° | 109.4° |
| O6 | C11 | H15 | 109.9° | 109.5° |
| O6 | C11 | H16 | 109.9° | 109.5° |
| N4 | C18 | C13 | 126.1° | 120.0° |
| N4 | C18 | C17 | 114.8° | 120.0° |
| C6 | C5 | C4 | 114.9° | 109.5° |
| C5 | C6 | C1 | 109.2° | 109.5° |
| C6 | C5 | H5 | 103.2° | 109.5° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | C4 | O4 | 109.7° | 109.4° |
| C5 | C4 | C3 | 109.4° | 109.5° |
| C5 | C4 | H4 | 108.8° | 109.4° |
| C4 | C5 | H5 | 103.0° | 109.4° |
| C6 | C1 | C2 | 112.4° | 109.4° |
| C1 | C6 | H6 | 107.7° | 109.5° |
| C6 | C1 | H13 | 108.7° | 109.5° |
| C6 | C1 | H14 | 108.7° | 109.5° |
| C11 | C12 | N3 | 110.8° | 109.5° |
| C12 | C11 | H15 | 109.9° | 109.5° |
| C12 | C11 | H16 | 109.9° | 109.5° |
| C11 | C12 | H17 | 109.1° | 109.5° |
| C11 | C12 | H18 | 109.1° | 109.4° |
| C12 | N3 | C13 | 125.2° | 120.0° |
| C12 | N3 | H3 | 105.4° | 120.0° |
| N3 | C12 | H17 | 109.2° | 109.5° |
| N3 | C12 | H18 | 109.1° | 109.5° |
| O4 | C4 | C3 | 109.9° | 109.5° |
| O4 | C4 | H4 | 110.3° | 109.5° |
| C4 | O4 | H31 | 109.5° | 114.0° |
| C4 | C3 | C2 | 112.4° | 109.5° |
| C4 | C3 | O3 | 106.7° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| C4 | C3 | H20 | 108.9° | 109.5° |
| N3 | C13 | C18 | 124.9° | 120.0° |
| N3 | C13 | C14 | 116.1° | 120.0° |
| C13 | N3 | H3 | 105.4° | 120.0° |
| C13 | C18 | C17 | 119.1° | 120.0° |
| C18 | C13 | C14 | 119.0° | 120.0° |
| C18 | C17 | C16 | 121.4° | 120.0° |
| C18 | C17 | H12 | 119.3° | 120.0° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C1 | C2 | O2 | 109.0° | 109.5° |
| C1 | C2 | C7 | 109.6° | 109.4° |
| C2 | C1 | H13 | 108.7° | 109.5° |
| C2 | C1 | H14 | 108.7° | 109.5° |
| C13 | C14 | C15 | 121.2° | 120.0° |
| C13 | C14 | H19 | 119.4° | 120.0° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C17 | C16 | N5 | 120.1° | 120.0° |
| C16 | C17 | H12 | 119.3° | 120.0° |
| C2 | C3 | O3 | 109.0° | 109.5° |
| C3 | C2 | O2 | 107.4° | 109.5° |
| C3 | C2 | C7 | 109.4° | 109.5° |
| C2 | C3 | H20 | 109.2° | 109.5° |
| O3 | C3 | H20 | 110.6° | 109.4° |
| C3 | O3 | H30 | 109.5° | 114.0° |
| O2 | C2 | C7 | 107.5° | 109.5° |
| C2 | O2 | H29 | 109.5° | 114.0° |
| C2 | C7 | O1 | 108.2° | 109.4° |
| C2 | C7 | H7 | 109.8° | 109.5° |
| C2 | C7 | H8 | 109.8° | 109.5° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H11 | 120.2° | 120.0° |
| C15 | C14 | H19 | 119.4° | 120.0° |
| C15 | C16 | N5 | 120.2° | 120.0° |
| C16 | C15 | H11 | 120.2° | 120.0° |
| C16 | N5 | N6 | 121.5° | 120.0° |
| C16 | N5 | H24 | 106.4° | 120.0° |
| O1 | C7 | H7 | 109.8° | 109.5° |
| O1 | C7 | H8 | 109.8° | 109.5° |
| C7 | O1 | H28 | 109.5° | 114.0° |
| N5 | N6 | N7 | 108.2° | 111.0° |
| N6 | N5 | H24 | 106.4° | 120.0° |
| N5 | N6 | H25 | 109.8° | 111.0° |
| N7 | N6 | H25 | 109.8° | 111.0° |
| N6 | N7 | H26 | 109.5° | 111.0° |
| N6 | N7 | H27 | 109.4° | 111.0° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H26 | N7 | H27 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C5 | C6 | N1 | 69.6° | 60.0° |
| O5 | C5 | C6 | C4 | 136.2° | 120.0° |
| O5 | C5 | C6 | H5 | 112.4° | 120.0° |
| O5 | C5 | C4 | H5 | 112.7° | 119.9° |
| O5 | C5 | C6 | C1 | 166.9° | 180.0° |
| O5 | C5 | C4 | O4 | 46.1° | 60.0° |
| O5 | C5 | C4 | C3 | 166.8° | 180.0° |
| O5 | C5 | C4 | H4 | 74.7° | 60.0° |
| O5 | C5 | C6 | H6 | 49.9° | 60.0° |
| O8 | N4 | O9 | C18 | 179.2° | 180.0° |
| O8 | N4 | C18 | C13 | 19.2° | 142.5° |
| O8 | N4 | C18 | C17 | 160.8° | 37.5° |
| N2 | C9 | C8 | H21 | 120.4° | 119.9° |
| N2 | C9 | C8 | H22 | 120.4° | 120.0° |
| C9 | N2 | C10 | H23 | 180.0° | 180.0° |
| N2 | C9 | C8 | N1 | 85.4° | 180.0° |
| C9 | N2 | C10 | O6 | 36.6° | 180.0° |
| C9 | N2 | C10 | O7 | 143.5° | 0.0° |
| N2 | C9 | C8 | H9 | 154.3° | 60.0° |
| N2 | C9 | C8 | H10 | 34.9° | 60.0° |
| N2 | C9 | H21 | H22 | 118.8° | 120.0° |
| C8 | C9 | N2 | C10 | 98.6° | 180.0° |
| C9 | C8 | N1 | H9 | 120.3° | 120.0° |
| C9 | C8 | N1 | H10 | 120.3° | 120.0° |
| C9 | C8 | N1 | C6 | 154.5° | 180.0° |
| C9 | C8 | N1 | H1 | 85.5° | 56.1° |
| C9 | C8 | H9 | H10 | 119.0° | 120.0° |
| C8 | C9 | H21 | H22 | 118.9° | 120.0° |
| C8 | C9 | N2 | H23 | 81.4° | 0.0° |
| N2 | C10 | O6 | O7 | 179.9° | 180.0° |
| N2 | C10 | O6 | C11 | 167.5° | 180.0° |
| C10 | N2 | C9 | H21 | 141.0° | 60.0° |
| C10 | N2 | C9 | H22 | 21.7° | 60.0° |
| O9 | N4 | C18 | C13 | 161.7° | 37.5° |
| O9 | N4 | C18 | C17 | 18.3° | 142.5° |
| C8 | N1 | C6 | H1 | 120.0° | 123.9° |
| C8 | N1 | C6 | C5 | 169.1° | 85.0° |
| C8 | N1 | C6 | C1 | 46.8° | 155.0° |
| C8 | N1 | C6 | H6 | 71.7° | 35.0° |
| N1 | C8 | H9 | H10 | 119.0° | 120.0° |
| N1 | C8 | C9 | H21 | 35.0° | 60.0° |
| N1 | C8 | C9 | H22 | 154.2° | 60.0° |
| N1 | C6 | C5 | C1 | 123.6° | 120.0° |
| N1 | C6 | C5 | H6 | 119.5° | 120.0° |
| N1 | C6 | C5 | C4 | 66.6° | 60.0° |
| N1 | C6 | C1 | H6 | 119.1° | 120.0° |
| N1 | C6 | C1 | C2 | 72.2° | 60.0° |
| N1 | C6 | C5 | H5 | 178.0° | 180.0° |
| C6 | N1 | C8 | H9 | 34.1° | 60.0° |
| C6 | N1 | C8 | H10 | 85.2° | 60.0° |
| N1 | C6 | C1 | H13 | 167.4° | 180.0° |
| N1 | C6 | C1 | H14 | 48.2° | 60.0° |
| C10 | O6 | C11 | C12 | 177.0° | 180.0° |
| C10 | O6 | C11 | H15 | 57.3° | 60.0° |
| C10 | O6 | C11 | H16 | 63.2° | 60.0° |
| O6 | C10 | N2 | H23 | 143.4° | 0.0° |
| C11 | O6 | C10 | O7 | 12.4° | 0.0° |
| O6 | C11 | C12 | H15 | 119.7° | 120.0° |
| O6 | C11 | C12 | H16 | 119.7° | 120.0° |
| O6 | C11 | C12 | N3 | 135.5° | 65.0° |
| O6 | C11 | H15 | H16 | 120.8° | 120.1° |
| O6 | C11 | C12 | H17 | 15.3° | 55.0° |
| O6 | C11 | C12 | H18 | 104.3° | 175.0° |
| N4 | C18 | C13 | N3 | 1.0° | 0.0° |
| N4 | C18 | C13 | C17 | 180.0° | 180.0° |
| N4 | C18 | C13 | C14 | 179.7° | 179.7° |
| N4 | C18 | C17 | C16 | 180.0° | 180.0° |
| N4 | C18 | C17 | H12 | 0.0° | 0.3° |
| C6 | C5 | C4 | H5 | 111.4° | 120.0° |
| C5 | C6 | C1 | H6 | 117.3° | 120.0° |
| C6 | C5 | C4 | O4 | 178.1° | 180.0° |
| C6 | C5 | C4 | C3 | 57.3° | 60.0° |
| C5 | C6 | C1 | C2 | 51.4° | 60.0° |
| C5 | C6 | N1 | H1 | 49.1° | 151.1° |
| C6 | C5 | C4 | H4 | 61.2° | 60.0° |
| C5 | C6 | C1 | H13 | 69.0° | 60.0° |
| C5 | C6 | C1 | H14 | 171.9° | 180.0° |
| C6 | C5 | O5 | H32 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 56.9° | 60.0° |
| C5 | C4 | O4 | C3 | 120.4° | 120.0° |
| C5 | C4 | O4 | H4 | 119.8° | 120.0° |
| C5 | C4 | C3 | H4 | 118.6° | 120.0° |
| C5 | C4 | C3 | C2 | 52.0° | 60.0° |
| C5 | C4 | C3 | O3 | 171.5° | 180.0° |
| C4 | C5 | C6 | H6 | 173.9° | 180.0° |
| C5 | C4 | C3 | H20 | 69.1° | 60.1° |
| C5 | C4 | O4 | H31 | 180.0° | 60.1° |
| C4 | C5 | O5 | H32 | 43.9° | 60.0° |
| O7 | C10 | N2 | H23 | 36.5° | 180.0° |
| C6 | C1 | C2 | H13 | 120.4° | 120.0° |
| C6 | C1 | C2 | H14 | 120.4° | 120.0° |
| C6 | C1 | C2 | C3 | 50.2° | 60.0° |
| C6 | C1 | C2 | O2 | 69.6° | 60.0° |
| C6 | C1 | C2 | C7 | 173.0° | 180.0° |
| C1 | C6 | N1 | H1 | 73.2° | 31.0° |
| C1 | C6 | C5 | H5 | 54.4° | 60.0° |
| C6 | C1 | H13 | H14 | 118.7° | 120.0° |
| C11 | C12 | N3 | H17 | 120.2° | 120.0° |
| C11 | C12 | N3 | H18 | 120.2° | 120.0° |
| C11 | C12 | N3 | C13 | 112.4° | 180.0° |
| C11 | C12 | N3 | H3 | 125.4° | 0.0° |
| C12 | C11 | H15 | H16 | 120.8° | 120.0° |
| C11 | C12 | H17 | H18 | 119.4° | 120.0° |
| C12 | N3 | C13 | H3 | 122.1° | 180.0° |
| C12 | N3 | C13 | C18 | 37.6° | 174.4° |
| C12 | N3 | C13 | C14 | 143.7° | 5.8° |
| N3 | C12 | C11 | H15 | 104.7° | 175.0° |
| N3 | C12 | C11 | H16 | 15.8° | 55.0° |
| N3 | C12 | H17 | H18 | 119.4° | 120.0° |
| O4 | C4 | C3 | H4 | 120.8° | 120.0° |
| O4 | C4 | C3 | C2 | 172.6° | 180.0° |
| O4 | C4 | C3 | O3 | 67.9° | 60.0° |
| O4 | C4 | C5 | H5 | 66.6° | 60.0° |
| O4 | C4 | C3 | H20 | 51.5° | 59.9° |
| C4 | C3 | C2 | C1 | 50.5° | 60.0° |
| C4 | C3 | C2 | O3 | 118.1° | 120.0° |
| C4 | C3 | C2 | H20 | 121.0° | 120.0° |
| C4 | C3 | O3 | H20 | 118.3° | 119.9° |
| C4 | C3 | C2 | O2 | 70.2° | 60.0° |
| C4 | C3 | C2 | C7 | 173.4° | 180.0° |
| C3 | C4 | C5 | H5 | 54.1° | 60.0° |
| C4 | C3 | O3 | H30 | 180.0° | 59.9° |
| C3 | C4 | O4 | H31 | 59.6° | 180.0° |
| N3 | C13 | C18 | C14 | 178.7° | 179.8° |
| N3 | C13 | C18 | C17 | 179.0° | 179.9° |
| N3 | C13 | C14 | C15 | 179.3° | 179.9° |
| C13 | N3 | C12 | H17 | 7.8° | 60.0° |
| C13 | N3 | C12 | H18 | 127.4° | 60.1° |
| N3 | C13 | C14 | H19 | 0.6° | 0.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C13 | C14 | C15 | 0.5° | 0.3° |
| C18 | C13 | N3 | H3 | 84.5° | 5.6° |
| C13 | C18 | C17 | H12 | 180.0° | 179.7° |
| C18 | C13 | C14 | H19 | 179.5° | 179.7° |
| C17 | C18 | C13 | C14 | 0.3° | 0.3° |
| C18 | C17 | C16 | H12 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.2° | 0.3° |
| C18 | C17 | C16 | N5 | 180.0° | 179.7° |
| C1 | C2 | C3 | O2 | 120.7° | 120.0° |
| C1 | C2 | C3 | C7 | 122.9° | 120.0° |
| C1 | C2 | C3 | O3 | 168.6° | 180.0° |
| C1 | C2 | O2 | C7 | 118.7° | 120.0° |
| C1 | C2 | C7 | O1 | 54.1° | 175.0° |
| C2 | C1 | C6 | H6 | 168.7° | 180.0° |
| C1 | C2 | C7 | H7 | 65.7° | 55.0° |
| C1 | C2 | C7 | H8 | 173.9° | 65.0° |
| C2 | C1 | H13 | H14 | 118.6° | 120.0° |
| C1 | C2 | C3 | H20 | 70.5° | 60.0° |
| C1 | C2 | O2 | H29 | 180.0° | 180.0° |
| C13 | C14 | C15 | H19 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C13 | N3 | H3 | 94.2° | 174.1° |
| C13 | C14 | C15 | H11 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.3° |
| C17 | C16 | C15 | N5 | 179.9° | 180.0° |
| C17 | C16 | N5 | N6 | 82.4° | 180.0° |
| C17 | C16 | C15 | H11 | 179.9° | 179.7° |
| C17 | C16 | N5 | H24 | 39.3° | 0.0° |
| C2 | C3 | O3 | H20 | 120.1° | 120.0° |
| C3 | C2 | O2 | C7 | 117.7° | 120.0° |
| C3 | C2 | C7 | O1 | 71.2° | 55.0° |
| C2 | C3 | C4 | H4 | 66.5° | 60.0° |
| C3 | C2 | C7 | H7 | 168.9° | 65.0° |
| C3 | C2 | C7 | H8 | 48.6° | 175.0° |
| C3 | C2 | C1 | H13 | 70.2° | 60.0° |
| C3 | C2 | C1 | H14 | 170.6° | 180.0° |
| C3 | C2 | O2 | H29 | 56.4° | 60.0° |
| C2 | C3 | O3 | H30 | 58.4° | 180.0° |
| O3 | C3 | C2 | O2 | 47.9° | 60.0° |
| O3 | C3 | C2 | C7 | 68.5° | 60.0° |
| O3 | C3 | C4 | H4 | 52.9° | 60.0° |
| O2 | C2 | C7 | O1 | 172.4° | 65.0° |
| O2 | C2 | C7 | H7 | 52.6° | 175.0° |
| O2 | C2 | C7 | H8 | 67.8° | 55.0° |
| O2 | C2 | C1 | H13 | 170.0° | 180.0° |
| O2 | C2 | C1 | H14 | 50.9° | 59.9° |
| O2 | C2 | C3 | H20 | 168.8° | 180.0° |
| C2 | C7 | O1 | H7 | 119.8° | 120.0° |
| C2 | C7 | O1 | H8 | 119.8° | 120.0° |
| C2 | C7 | H7 | H8 | 120.6° | 120.0° |
| C7 | C2 | C1 | H13 | 52.6° | 60.0° |
| C7 | C2 | C1 | H14 | 66.5° | 60.0° |
| C7 | C2 | C3 | H20 | 52.4° | 60.0° |
| C2 | C7 | O1 | H28 | 180.0° | 180.0° |
| C7 | C2 | O2 | H29 | 61.3° | 60.0° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | N5 | 179.8° | 179.7° |
| C15 | C16 | N5 | N6 | 97.7° | 0.0° |
| C15 | C16 | C17 | H12 | 179.8° | 180.0° |
| C16 | C15 | C14 | H19 | 179.6° | 180.0° |
| C15 | C16 | N5 | H24 | 140.6° | 180.0° |
| C16 | N5 | N6 | H24 | 121.7° | 180.0° |
| C16 | N5 | N6 | N7 | 177.7° | 125.0° |
| N5 | C16 | C15 | H11 | 0.2° | 0.3° |
| N5 | C16 | C17 | H12 | 0.0° | 0.0° |
| C16 | N5 | N6 | H25 | 62.5° | 111.1° |
| O1 | C7 | H7 | H8 | 120.6° | 120.0° |
| N5 | N6 | N7 | H25 | 119.8° | 123.9° |
| N5 | N6 | N7 | H26 | 180.0° | 56.0° |
| N5 | N6 | N7 | H27 | 60.0° | 180.0° |
| N7 | N6 | N5 | H24 | 56.0° | 55.0° |
| N6 | N7 | H26 | H27 | 120.0° | 123.9° |
| H1 | N1 | C6 | H6 | 168.3° | 88.9° |
| H1 | N1 | C8 | H9 | 154.1° | 64.0° |
| H1 | N1 | C8 | H10 | 34.8° | 176.1° |
| H3 | N3 | C12 | H17 | 114.3° | 120.0° |
| H3 | N3 | C12 | H18 | 5.3° | 120.0° |
| H4 | C4 | C5 | H5 | 172.6° | 180.0° |
| H4 | C4 | C3 | H20 | 172.3° | 180.0° |
| H4 | C4 | O4 | H31 | 60.2° | 59.9° |
| H5 | C5 | C6 | H6 | 62.5° | 60.0° |
| H5 | C5 | O5 | H32 | 68.1° | 60.0° |
| H6 | C6 | C1 | H13 | 48.3° | 60.1° |
| H6 | C6 | C1 | H14 | 70.9° | 60.0° |
| H7 | C7 | O1 | H28 | 60.2° | 60.0° |
| H8 | C7 | O1 | H28 | 60.2° | 60.0° |
| H9 | C8 | C9 | H21 | 85.4° | 180.0° |
| H9 | C8 | C9 | H22 | 33.9° | 60.0° |
| H10 | C8 | C9 | H21 | 155.3° | 60.0° |
| H10 | C8 | C9 | H22 | 85.4° | 180.0° |
| H11 | C15 | C14 | H19 | 0.4° | 0.1° |
| H15 | C11 | C12 | H17 | 135.0° | 65.0° |
| H15 | C11 | C12 | H18 | 15.4° | 55.0° |
| H16 | C11 | C12 | H17 | 104.4° | 175.0° |
| H16 | C11 | C12 | H18 | 136.0° | 65.0° |
| H20 | C3 | O3 | H30 | 61.7° | 60.0° |
| H21 | C9 | N2 | H23 | 39.0° | 120.0° |
| H22 | C9 | N2 | H23 | 158.3° | 120.0° |
| H24 | N5 | N6 | H25 | 175.8° | 68.9° |
| H25 | N6 | N7 | H26 | 60.3° | 67.9° |
| H25 | N6 | N7 | H27 | 179.8° | 56.1° |
