A1H9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.35Å | 1.36Å | |
| C2 | N2 | sing | 1.33Å | 1.35Å | |
| N2 | C3 | doub | 1.32Å | 1.34Å | |
| C3 | C4 | sing | 1.47Å | 1.40Å | |
| N1 | C4 | sing | 1.35Å | 1.39Å | |
| C3 | N3 | sing | 1.39Å | 1.41Å | |
| N3 | C5 | sing | 1.35Å | 1.38Å | |
| C5 | O1 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C7 | N4 | sing | 1.35Å | 1.33Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.50Å | |
| N4 | C12 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C17 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C18 | sing | 1.34Å | 1.33Å | |
| C15 | C18 | sing | 1.51Å | 1.52Å | |
| C18 | O3 | doub | 1.21Å | 1.21Å | |
| C13 | O4 | sing | 1.43Å | 1.41Å | |
| C13 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | N6 | sing | 1.35Å | 1.42Å | |
| C19 | O5 | doub | 1.21Å | 1.19Å | |
| O1 | C20 | sing | 1.45Å | 1.48Å | |
| C5 | O6 | doub | 1.22Å | 1.21Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C20 | C23 | sing | 1.53Å | 1.51Å | |
| C4 | O7 | doub | 1.22Å | 1.24Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 118.9° | 120.9° |
| C1 | N1 | C4 | 120.1° | 119.1° |
| C1 | N1 | C6 | 121.1° | 120.5° |
| N1 | C1 | H1 | 120.6° | 119.6° |
| C1 | C2 | N2 | 122.6° | 121.7° |
| C2 | C1 | H1 | 120.5° | 119.5° |
| C1 | C2 | H2 | 118.7° | 119.2° |
| C2 | N2 | C3 | 119.3° | 120.8° |
| N2 | C2 | H2 | 118.7° | 119.1° |
| N2 | C3 | C4 | 121.1° | 119.1° |
| N2 | C3 | N3 | 117.3° | 120.5° |
| C3 | C4 | N1 | 117.9° | 118.4° |
| C4 | C3 | N3 | 121.6° | 120.4° |
| C3 | C4 | O7 | 124.2° | 120.8° |
| C4 | N1 | C6 | 118.7° | 120.4° |
| N1 | C4 | O7 | 117.9° | 120.8° |
| C3 | N3 | C5 | 128.1° | 120.0° |
| C3 | N3 | H3 | 116.0° | 120.0° |
| N3 | C5 | O1 | 107.8° | 120.0° |
| N3 | C5 | O6 | 126.1° | 120.0° |
| C5 | N3 | H3 | 116.0° | 120.0° |
| C5 | O1 | C20 | 125.2° | 117.0° |
| O1 | C5 | O6 | 126.1° | 120.0° |
| N1 | C6 | C7 | 108.5° | 109.5° |
| N1 | C6 | C8 | 113.9° | 109.5° |
| N1 | C6 | H4 | 108.0° | 109.5° |
| C7 | C6 | C8 | 111.4° | 109.5° |
| C6 | C7 | O2 | 119.5° | 120.0° |
| C6 | C7 | N4 | 119.8° | 120.0° |
| C7 | C6 | H4 | 107.5° | 109.4° |
| C6 | C8 | C9 | 112.1° | 109.4° |
| C8 | C6 | H4 | 107.3° | 109.5° |
| C6 | C8 | H6 | 108.8° | 109.5° |
| C6 | C8 | H5 | 108.8° | 109.5° |
| O2 | C7 | N4 | 120.6° | 120.0° |
| C7 | N4 | C12 | 121.8° | 120.0° |
| C7 | N4 | H7 | 119.1° | 120.0° |
| C8 | C9 | C10 | 120.1° | 117.5° |
| C8 | C9 | C11 | 119.7° | 117.5° |
| C9 | C8 | H6 | 108.8° | 109.5° |
| C9 | C8 | H5 | 108.8° | 109.5° |
| C8 | C9 | H8 | 115.3° | 115.6° |
| C9 | C10 | C11 | 60.0° | 60.0° |
| C10 | C9 | C11 | 59.9° | 60.0° |
| C9 | C10 | H9 | 120.0° | 117.5° |
| C9 | C10 | H10 | 120.0° | 117.5° |
| C10 | C9 | H8 | 115.3° | 117.5° |
| C10 | C11 | C9 | 60.1° | 60.0° |
| C11 | C10 | H9 | 120.0° | 117.5° |
| C11 | C10 | H10 | 120.0° | 117.5° |
| C10 | C11 | H11 | 120.0° | 117.5° |
| C10 | C11 | H12 | 120.0° | 117.5° |
| C11 | C9 | H8 | 115.3° | 117.5° |
| C9 | C11 | H11 | 120.0° | 117.5° |
| C9 | C11 | H12 | 120.0° | 117.5° |
| N4 | C12 | C13 | 106.7° | 109.5° |
| N4 | C12 | C14 | 111.0° | 109.5° |
| C12 | N4 | H7 | 119.1° | 120.0° |
| N4 | C12 | H13 | 108.0° | 109.5° |
| C13 | C12 | C14 | 116.7° | 109.5° |
| C12 | C13 | O4 | 106.5° | 109.5° |
| C12 | C13 | C19 | 111.6° | 109.5° |
| C12 | C13 | H14 | 109.4° | 109.5° |
| C13 | C12 | H13 | 107.0° | 109.4° |
| C12 | C14 | C15 | 109.6° | 109.4° |
| C14 | C12 | H13 | 107.0° | 109.5° |
| C12 | C14 | H16 | 109.4° | 109.5° |
| C12 | C14 | H15 | 109.4° | 109.5° |
| C14 | C15 | C16 | 115.5° | 110.5° |
| C14 | C15 | C18 | 114.2° | 110.5° |
| C14 | C15 | H17 | 107.7° | 110.6° |
| C15 | C14 | H16 | 109.4° | 109.5° |
| C15 | C14 | H15 | 109.5° | 109.5° |
| C15 | C16 | C17 | 105.1° | 101.8° |
| C16 | C15 | C18 | 103.3° | 104.2° |
| C16 | C15 | H17 | 107.9° | 110.5° |
| C15 | C16 | H18 | 110.5° | 111.0° |
| C15 | C16 | H19 | 110.5° | 111.0° |
| C16 | C17 | N5 | 103.2° | 105.5° |
| C16 | C17 | H20 | 111.0° | 110.3° |
| C16 | C17 | H21 | 111.0° | 110.3° |
| C17 | C16 | H18 | 110.6° | 110.9° |
| C17 | C16 | H19 | 110.5° | 111.0° |
| C17 | N5 | C18 | 113.7° | 111.3° |
| N5 | C17 | H20 | 111.0° | 110.3° |
| N5 | C17 | H21 | 111.0° | 110.2° |
| C17 | N5 | H22 | 123.1° | 124.4° |
| N5 | C18 | C15 | 109.8° | 110.1° |
| N5 | C18 | O3 | 125.4° | 124.9° |
| C18 | N5 | H22 | 123.1° | 124.3° |
| C15 | C18 | O3 | 124.8° | 125.0° |
| C18 | C15 | H17 | 107.9° | 110.4° |
| O4 | C13 | C19 | 108.4° | 109.5° |
| O4 | C13 | H14 | 111.2° | 109.5° |
| C13 | O4 | H23 | 109.5° | 114.0° |
| C13 | C19 | N6 | 119.4° | 120.0° |
| C13 | C19 | O5 | 122.2° | 119.9° |
| C19 | C13 | H14 | 109.7° | 109.5° |
| N6 | C19 | O5 | 118.3° | 120.0° |
| C19 | N6 | H24 | 120.0° | 120.1° |
| C19 | N6 | H25 | 120.0° | 120.0° |
| O1 | C20 | C21 | 111.0° | 109.5° |
| O1 | C20 | C22 | 106.2° | 109.4° |
| O1 | C20 | C23 | 106.8° | 109.5° |
| C21 | C20 | C22 | 110.1° | 109.5° |
| C21 | C20 | C23 | 111.7° | 109.5° |
| C20 | C21 | H28 | 109.5° | 109.5° |
| C20 | C21 | H27 | 109.5° | 109.4° |
| C20 | C21 | H29 | 109.5° | 109.5° |
| C22 | C20 | C23 | 110.8° | 109.4° |
| C20 | C22 | H32 | 109.5° | 109.4° |
| C20 | C22 | H31 | 109.5° | 109.5° |
| C20 | C22 | H30 | 109.5° | 109.5° |
| C20 | C23 | H35 | 109.5° | 109.4° |
| C20 | C23 | H33 | 109.5° | 109.4° |
| C20 | C23 | H34 | 109.5° | 109.5° |
| H6 | C8 | H5 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 115.5° |
| H20 | C17 | H21 | 109.5° | 110.2° |
| H28 | C21 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.4° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H32 | C22 | H31 | 109.5° | 109.5° |
| H32 | C22 | H30 | 109.4° | 109.4° |
| H31 | C22 | H30 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 115.6° |
| H16 | C14 | H15 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 110.9° |
| H24 | N6 | H25 | 120.0° | 119.9° |
| H35 | C23 | H33 | 109.5° | 109.5° |
| H35 | C23 | H34 | 109.5° | 109.5° |
| H33 | C23 | H34 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | H1 | 180.0° | 179.9° |
| N1 | C1 | C2 | N2 | 1.5° | 0.0° |
| C1 | N1 | C4 | C3 | 2.1° | 0.0° |
| C1 | N1 | C4 | C6 | 177.6° | 179.7° |
| C1 | N1 | C6 | C7 | 97.5° | 60.1° |
| C1 | N1 | C6 | C8 | 27.2° | 59.9° |
| C1 | N1 | C4 | O7 | 178.1° | 180.0° |
| C1 | N1 | C6 | H4 | 146.3° | 180.0° |
| N1 | C1 | C2 | H2 | 178.4° | 179.9° |
| C1 | C2 | N2 | H2 | 180.0° | 180.0° |
| C1 | C2 | N2 | C3 | 0.7° | 0.0° |
| C2 | C1 | N1 | C4 | 2.2° | 0.0° |
| C2 | C1 | N1 | C6 | 179.8° | 179.7° |
| C2 | N2 | C3 | C4 | 0.7° | 0.0° |
| C2 | N2 | C3 | N3 | 178.4° | 180.0° |
| N2 | C2 | C1 | H1 | 178.5° | 179.9° |
| N2 | C3 | C4 | N3 | 177.6° | 180.0° |
| N2 | C3 | C4 | N1 | 1.3° | 0.0° |
| N2 | C3 | N3 | C5 | 0.2° | 0.0° |
| N2 | C3 | C4 | O7 | 178.9° | 180.0° |
| N2 | C3 | N3 | H3 | 179.9° | 180.0° |
| C3 | N2 | C2 | H2 | 179.2° | 180.0° |
| C3 | C4 | N1 | O7 | 179.7° | 180.0° |
| C4 | C3 | N3 | C5 | 177.9° | 180.0° |
| C3 | C4 | N1 | C6 | 179.8° | 179.7° |
| C4 | C3 | N3 | H3 | 2.1° | 0.0° |
| N1 | C4 | C3 | N3 | 179.0° | 180.0° |
| C4 | N1 | C6 | C7 | 80.1° | 120.3° |
| C4 | N1 | C6 | C8 | 155.2° | 119.7° |
| C4 | N1 | C6 | H4 | 36.1° | 0.3° |
| C4 | N1 | C1 | H1 | 177.8° | 180.0° |
| C3 | N3 | C5 | H3 | 180.0° | 180.0° |
| C3 | N3 | C5 | O1 | 167.5° | 180.0° |
| C3 | N3 | C5 | O6 | 12.9° | 0.0° |
| N3 | C3 | C4 | O7 | 1.3° | 0.0° |
| N3 | C5 | O1 | O6 | 179.6° | 180.0° |
| N3 | C5 | O1 | C20 | 158.9° | 180.0° |
| C5 | O1 | C20 | C21 | 57.9° | 60.0° |
| C5 | O1 | C20 | C22 | 177.6° | 180.0° |
| C5 | O1 | C20 | C23 | 64.1° | 60.0° |
| O1 | C5 | N3 | H3 | 12.5° | 0.0° |
| N1 | C6 | C7 | C8 | 126.2° | 120.0° |
| N1 | C6 | C7 | H4 | 116.5° | 120.0° |
| N1 | C6 | C8 | H4 | 119.4° | 120.1° |
| N1 | C6 | C7 | O2 | 32.4° | 0.1° |
| N1 | C6 | C7 | N4 | 146.3° | 180.0° |
| N1 | C6 | C8 | C9 | 65.0° | 65.0° |
| C6 | N1 | C4 | O7 | 0.5° | 0.3° |
| N1 | C6 | C8 | H6 | 55.4° | 54.9° |
| N1 | C6 | C8 | H5 | 174.6° | 174.9° |
| C6 | N1 | C1 | H1 | 0.2° | 0.4° |
| C7 | C6 | C8 | H4 | 117.4° | 119.9° |
| C6 | C7 | O2 | N4 | 178.7° | 179.9° |
| C7 | C6 | C8 | C9 | 171.8° | 175.0° |
| C6 | C7 | N4 | C12 | 174.3° | 180.0° |
| C7 | C6 | C8 | H6 | 67.8° | 65.1° |
| C7 | C6 | C8 | H5 | 51.4° | 54.9° |
| C6 | C7 | N4 | H7 | 5.7° | 0.0° |
| C8 | C6 | C7 | O2 | 93.8° | 120.0° |
| C8 | C6 | C7 | N4 | 87.5° | 60.0° |
| C6 | C8 | C9 | H6 | 120.4° | 120.0° |
| C6 | C8 | C9 | H5 | 120.4° | 120.0° |
| C6 | C8 | C9 | C10 | 77.5° | 175.0° |
| C6 | C8 | C9 | C11 | 147.8° | 116.4° |
| C6 | C8 | H6 | H5 | 118.8° | 120.0° |
| C6 | C8 | C9 | H8 | 67.7° | 29.3° |
| O2 | C7 | N4 | C12 | 7.0° | 0.0° |
| O2 | C7 | C6 | H4 | 148.9° | 120.0° |
| O2 | C7 | N4 | H7 | 173.0° | 180.0° |
| C7 | N4 | C12 | H7 | 180.0° | 180.0° |
| C7 | N4 | C12 | C13 | 114.5° | 95.5° |
| C7 | N4 | C12 | C14 | 117.4° | 144.5° |
| N4 | C7 | C6 | H4 | 29.8° | 60.0° |
| C7 | N4 | C12 | H13 | 0.3° | 24.4° |
| C8 | C9 | C10 | C11 | 109.0° | 107.5° |
| C8 | C9 | C10 | H8 | 145.2° | 145.1° |
| C8 | C9 | C11 | H8 | 144.4° | 145.0° |
| C9 | C8 | C6 | H4 | 54.4° | 55.0° |
| C9 | C8 | H6 | H5 | 118.8° | 120.0° |
| C8 | C9 | C10 | H9 | 0.5° | 0.0° |
| C8 | C9 | C10 | H10 | 141.6° | 145.1° |
| C8 | C9 | C11 | H11 | 0.3° | 0.1° |
| C8 | C9 | C11 | H12 | 140.7° | 145.0° |
| C9 | C10 | C11 | H9 | 109.5° | 107.6° |
| C9 | C10 | C11 | H10 | 109.5° | 107.6° |
| C10 | C9 | C11 | H8 | 105.8° | 107.5° |
| C10 | C9 | C8 | H6 | 162.2° | 65.0° |
| C10 | C9 | C8 | H5 | 42.9° | 55.0° |
| C9 | C10 | H9 | H10 | 144.7° | 145.8° |
| C10 | C9 | C11 | H11 | 109.5° | 107.5° |
| C10 | C9 | C11 | H12 | 109.5° | 107.5° |
| C11 | C10 | H9 | H10 | 144.7° | 145.6° |
| C10 | C11 | H11 | H12 | 144.7° | 145.8° |
| C11 | C9 | C8 | H6 | 91.8° | 3.6° |
| C11 | C9 | C8 | H5 | 27.4° | 123.6° |
| C9 | C11 | H11 | H12 | 144.7° | 145.6° |
| N4 | C12 | C13 | C14 | 124.8° | 120.0° |
| N4 | C12 | C13 | H13 | 115.5° | 120.0° |
| N4 | C12 | C14 | H13 | 117.7° | 120.0° |
| N4 | C12 | C14 | C15 | 66.8° | 61.5° |
| N4 | C12 | C13 | O4 | 49.2° | 54.1° |
| N4 | C12 | C13 | C19 | 167.3° | 174.1° |
| N4 | C12 | C13 | H14 | 71.0° | 65.9° |
| N4 | C12 | C14 | H16 | 53.2° | 178.5° |
| N4 | C12 | C14 | H15 | 173.1° | 58.5° |
| C13 | C12 | C14 | H13 | 119.8° | 120.0° |
| C13 | C12 | C14 | C15 | 170.6° | 178.5° |
| C12 | C13 | O4 | C19 | 120.2° | 120.0° |
| C12 | C13 | O4 | H14 | 119.1° | 120.0° |
| C12 | C13 | C19 | H14 | 121.5° | 120.0° |
| C12 | C13 | C19 | N6 | 121.1° | 71.9° |
| C12 | C13 | C19 | O5 | 56.5° | 108.1° |
| C13 | C12 | N4 | H7 | 65.5° | 84.5° |
| C13 | C12 | C14 | H16 | 69.4° | 58.5° |
| C13 | C12 | C14 | H15 | 50.6° | 61.5° |
| C12 | C13 | O4 | H23 | 180.0° | 60.0° |
| C12 | C14 | C15 | H16 | 120.0° | 120.0° |
| C12 | C14 | C15 | H15 | 120.0° | 120.0° |
| C12 | C14 | C15 | C16 | 75.7° | 65.7° |
| C12 | C14 | C15 | C18 | 164.7° | 179.5° |
| C14 | C12 | C13 | O4 | 174.0° | 174.1° |
| C14 | C12 | C13 | C19 | 67.9° | 65.9° |
| C14 | C12 | C13 | H14 | 53.7° | 54.1° |
| C12 | C14 | C15 | H17 | 44.9° | 56.9° |
| C14 | C12 | N4 | H7 | 62.6° | 35.5° |
| C12 | C14 | H16 | H15 | 119.9° | 120.0° |
| C14 | C15 | C16 | C18 | 125.4° | 118.7° |
| C14 | C15 | C16 | H17 | 120.5° | 122.7° |
| C14 | C15 | C16 | C17 | 146.7° | 143.4° |
| C14 | C15 | C18 | N5 | 140.8° | 134.9° |
| C14 | C15 | C18 | H17 | 119.7° | 122.7° |
| C14 | C15 | C18 | O3 | 39.9° | 45.1° |
| C15 | C14 | C12 | H13 | 50.8° | 58.5° |
| C15 | C14 | H16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H18 | 27.4° | 25.4° |
| C14 | C15 | C16 | H19 | 94.0° | 98.4° |
| C15 | C16 | C17 | H18 | 119.3° | 118.1° |
| C15 | C16 | C17 | H19 | 119.3° | 118.1° |
| C15 | C16 | C17 | N5 | 20.7° | 25.4° |
| C16 | C15 | C18 | N5 | 14.6° | 16.2° |
| C16 | C15 | C18 | H17 | 114.1° | 118.6° |
| C16 | C15 | C18 | O3 | 166.1° | 163.8° |
| C15 | C16 | C17 | H20 | 139.7° | 144.4° |
| C15 | C16 | C17 | H21 | 98.3° | 93.6° |
| C16 | C15 | C14 | H16 | 164.4° | 54.2° |
| C16 | C15 | C14 | H15 | 44.4° | 174.3° |
| C15 | C16 | H18 | H19 | 122.0° | 123.8° |
| C16 | C17 | N5 | H20 | 119.0° | 119.0° |
| C16 | C17 | N5 | H21 | 119.0° | 119.0° |
| C16 | C17 | N5 | C18 | 12.5° | 17.0° |
| C17 | C16 | C15 | C18 | 21.3° | 24.7° |
| C17 | C16 | C15 | H17 | 92.8° | 93.8° |
| C16 | C17 | H20 | H21 | 122.9° | 122.0° |
| C17 | C16 | H18 | H19 | 122.0° | 123.8° |
| C16 | C17 | N5 | H22 | 167.4° | 163.0° |
| C17 | N5 | C18 | H22 | 180.0° | 180.0° |
| C17 | N5 | C18 | C15 | 1.2° | 0.4° |
| C17 | N5 | C18 | O3 | 179.5° | 179.6° |
| N5 | C17 | H20 | H21 | 123.0° | 121.9° |
| N5 | C17 | C16 | H18 | 98.6° | 92.8° |
| N5 | C17 | C16 | H19 | 140.0° | 143.5° |
| N5 | C18 | C15 | O3 | 179.3° | 180.0° |
| N5 | C18 | C15 | H17 | 99.5° | 102.4° |
| C18 | N5 | C17 | H20 | 131.5° | 136.0° |
| C18 | N5 | C17 | H21 | 106.5° | 102.0° |
| C18 | C15 | C14 | H16 | 44.7° | 60.5° |
| C18 | C15 | C14 | H15 | 75.2° | 59.5° |
| C18 | C15 | C16 | H18 | 98.0° | 93.3° |
| C18 | C15 | C16 | H19 | 140.6° | 142.9° |
| C15 | C18 | N5 | H22 | 178.8° | 179.6° |
| O3 | C18 | C15 | H17 | 79.8° | 77.6° |
| O3 | C18 | N5 | H22 | 0.5° | 0.4° |
| O4 | C13 | C19 | H14 | 121.6° | 120.0° |
| O4 | C13 | C19 | N6 | 4.2° | 168.1° |
| O4 | C13 | C19 | O5 | 173.4° | 11.9° |
| O4 | C13 | C12 | H13 | 66.2° | 65.9° |
| C13 | C19 | N6 | O5 | 177.7° | 180.0° |
| C19 | C13 | C12 | H13 | 51.9° | 54.1° |
| C19 | C13 | O4 | H23 | 59.8° | 180.0° |
| C13 | C19 | N6 | H24 | 177.7° | 5.6° |
| C13 | C19 | N6 | H25 | 2.3° | 174.3° |
| N6 | C19 | C13 | H14 | 117.4° | 48.1° |
| C19 | N6 | H24 | H25 | 180.0° | 179.9° |
| O5 | C19 | C13 | H14 | 65.0° | 131.9° |
| O5 | C19 | N6 | H24 | 0.0° | 174.3° |
| O5 | C19 | N6 | H25 | 180.0° | 5.7° |
| C20 | O1 | C5 | O6 | 20.6° | 0.0° |
| O1 | C20 | C21 | C22 | 117.3° | 120.0° |
| O1 | C20 | C21 | C23 | 119.1° | 120.0° |
| O1 | C20 | C22 | C23 | 115.7° | 120.0° |
| O1 | C20 | C21 | H28 | 180.0° | 179.9° |
| O1 | C20 | C21 | H27 | 60.0° | 60.0° |
| O1 | C20 | C21 | H29 | 60.0° | 60.0° |
| O1 | C20 | C22 | H32 | 180.0° | 60.1° |
| O1 | C20 | C22 | H31 | 60.0° | 59.9° |
| O1 | C20 | C22 | H30 | 60.0° | 179.9° |
| O1 | C20 | C23 | H35 | 180.0° | 179.9° |
| O1 | C20 | C23 | H33 | 60.0° | 60.0° |
| O1 | C20 | C23 | H34 | 60.0° | 60.0° |
| O6 | C5 | N3 | H3 | 167.1° | 180.0° |
| C21 | C20 | C22 | C23 | 124.1° | 120.0° |
| C20 | C21 | H28 | H27 | 120.0° | 120.0° |
| C20 | C21 | H28 | H29 | 120.0° | 120.0° |
| C20 | C21 | H27 | H29 | 120.0° | 120.0° |
| C21 | C20 | C22 | H32 | 59.7° | 60.0° |
| C21 | C20 | C22 | H31 | 179.7° | 180.0° |
| C21 | C20 | C22 | H30 | 60.2° | 59.9° |
| C21 | C20 | C23 | H35 | 58.4° | 60.0° |
| C21 | C20 | C23 | H33 | 61.6° | 180.0° |
| C21 | C20 | C23 | H34 | 178.5° | 60.0° |
| C22 | C20 | C21 | H28 | 62.7° | 59.9° |
| C22 | C20 | C21 | H27 | 57.3° | 180.0° |
| C22 | C20 | C21 | H29 | 177.3° | 60.0° |
| C20 | C22 | H32 | H31 | 120.0° | 120.0° |
| C20 | C22 | H32 | H30 | 120.0° | 119.9° |
| C20 | C22 | H31 | H30 | 120.0° | 120.1° |
| C22 | C20 | C23 | H35 | 64.7° | 60.0° |
| C22 | C20 | C23 | H33 | 175.3° | 60.0° |
| C22 | C20 | C23 | H34 | 55.3° | 180.0° |
| C23 | C20 | C21 | H28 | 60.9° | 60.0° |
| C23 | C20 | C21 | H27 | 179.1° | 60.0° |
| C23 | C20 | C21 | H29 | 59.1° | 180.0° |
| C23 | C20 | C22 | H32 | 64.3° | 180.0° |
| C23 | C20 | C22 | H31 | 55.7° | 60.0° |
| C23 | C20 | C22 | H30 | 175.7° | 60.1° |
| C20 | C23 | H35 | H33 | 120.0° | 120.0° |
| C20 | C23 | H35 | H34 | 120.0° | 120.0° |
| C20 | C23 | H33 | H34 | 120.0° | 120.0° |
| H4 | C6 | C8 | H6 | 174.8° | 175.0° |
| H4 | C6 | C8 | H5 | 66.0° | 65.0° |
| H6 | C8 | C9 | H8 | 52.6° | 149.3° |
| H5 | C8 | C9 | H8 | 171.9° | 90.7° |
| H9 | C10 | C9 | H8 | 144.7° | 145.0° |
| H9 | C10 | C11 | H11 | 0.0° | 0.1° |
| H9 | C10 | C11 | H12 | 141.1° | 145.0° |
| H10 | C10 | C9 | H8 | 3.6° | 0.0° |
| H10 | C10 | C11 | H11 | 141.0° | 145.0° |
| H10 | C10 | C11 | H12 | 0.0° | 0.1° |
| H14 | C13 | C12 | H13 | 173.5° | 174.1° |
| H14 | C13 | O4 | H23 | 60.9° | 60.0° |
| H17 | C15 | C14 | H16 | 75.0° | 176.9° |
| H17 | C15 | C14 | H15 | 165.0° | 63.1° |
| H17 | C15 | C16 | H18 | 147.9° | 148.1° |
| H17 | C15 | C16 | H19 | 26.5° | 24.3° |
| H20 | C17 | C16 | H18 | 20.4° | 26.3° |
| H20 | C17 | C16 | H19 | 101.0° | 97.5° |
| H20 | C17 | N5 | H22 | 48.5° | 44.0° |
| H21 | C17 | C16 | H18 | 142.4° | 148.2° |
| H21 | C17 | C16 | H19 | 21.0° | 24.5° |
| H21 | C17 | N5 | H22 | 73.6° | 78.0° |
| H28 | C21 | H27 | H29 | 119.9° | 120.0° |
| H32 | C22 | H31 | H30 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 1.6° | 0.0° |
| H7 | N4 | C12 | H13 | 179.7° | 155.6° |
| H8 | C9 | C11 | H11 | 144.7° | 145.0° |
| H8 | C9 | C11 | H12 | 3.7° | 0.0° |
| H13 | C12 | C14 | H16 | 170.8° | 61.5° |
| H13 | C12 | C14 | H15 | 69.2° | 178.5° |
| H35 | C23 | H33 | H34 | 119.9° | 120.1° |
