YDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | sing | 1.47Å | 1.43Å | |
| C6 | C5 | sing | 1.55Å | 1.52Å | |
| N1 | C7 | sing | 1.34Å | 1.39Å | |
| C5 | C4 | sing | 1.55Å | 1.54Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| N5 | C2 | doub | 1.28Å | 1.29Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | N2 | sing | 1.46Å | 1.44Å | |
| C20 | C15 | sing | 1.53Å | 1.51Å | |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| O2 | C9 | doub | 1.21Å | 1.22Å | |
| N2 | C9 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| O3 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | N3 | sing | 1.35Å | 1.38Å | |
| C14 | N4 | sing | 1.46Å | 1.44Å | |
| C8 | N3 | sing | 1.47Å | 1.46Å | |
| C8 | C12 | sing | 1.54Å | 1.53Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N4 | C18 | sing | 1.35Å | 1.37Å | |
| C12 | C11 | sing | 1.55Å | 1.54Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C18 | O5 | sing | 1.35Å | 1.36Å | |
| C18 | O4 | doub | 1.22Å | 1.22Å | |
| O5 | C19 | sing | 1.45Å | 1.42Å | |
| C11 | C21 | sing | 1.53Å | 1.52Å | |
| F2 | C21 | sing | 1.40Å | 1.37Å | |
| C21 | F1 | sing | 1.40Å | 1.36Å | |
| C21 | F3 | sing | 1.40Å | 1.37Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C6 | C5 | 104.4° | 105.5° |
| C6 | N1 | C7 | 112.5° | 111.3° |
| N1 | C6 | H6 | 110.7° | 110.2° |
| N1 | C6 | H7 | 110.7° | 110.2° |
| C6 | N1 | H8 | 123.8° | 124.3° |
| C6 | C5 | C4 | 104.4° | 101.7° |
| C6 | C5 | H5 | 110.7° | 110.9° |
| C6 | C5 | H4 | 110.7° | 111.1° |
| C5 | C6 | H6 | 110.7° | 110.4° |
| C5 | C6 | H7 | 110.7° | 110.1° |
| N1 | C7 | O1 | 127.3° | 125.0° |
| N1 | C7 | C4 | 108.0° | 110.1° |
| C7 | N1 | H8 | 123.8° | 124.4° |
| C5 | C4 | C7 | 103.4° | 104.2° |
| C5 | C4 | C3 | 112.2° | 110.5° |
| C4 | C5 | H5 | 110.8° | 111.0° |
| C4 | C5 | H4 | 110.7° | 110.9° |
| C5 | C4 | H3 | 110.5° | 110.5° |
| O1 | C7 | C4 | 124.7° | 124.9° |
| C7 | C4 | C3 | 108.9° | 110.5° |
| C7 | C4 | H3 | 110.7° | 110.5° |
| C4 | C3 | C1 | 111.1° | 109.5° |
| C3 | C4 | H3 | 110.9° | 110.6° |
| C4 | C3 | H1 | 109.1° | 109.5° |
| C4 | C3 | H2 | 109.1° | 109.5° |
| N5 | C2 | C1 | 121.6° | 120.0° |
| N5 | C2 | H31 | 119.2° | 120.0° |
| C2 | N5 | H32 | 112.0° | 120.0° |
| C3 | C1 | C2 | 108.6° | 109.5° |
| C3 | C1 | N2 | 110.3° | 109.5° |
| C1 | C3 | H1 | 109.1° | 109.4° |
| C1 | C3 | H2 | 109.1° | 109.5° |
| C3 | C1 | H30 | 110.6° | 109.5° |
| C2 | C1 | N2 | 104.9° | 109.5° |
| C2 | C1 | H30 | 110.7° | 109.4° |
| C1 | C2 | H31 | 119.2° | 120.0° |
| C1 | N2 | C9 | 121.9° | 120.0° |
| N2 | C1 | H30 | 111.6° | 109.4° |
| C1 | N2 | H10 | 119.1° | 120.0° |
| C20 | C15 | C17 | 109.0° | 109.5° |
| C20 | C15 | C16 | 107.8° | 109.5° |
| C20 | C15 | C14 | 114.8° | 109.5° |
| C15 | C20 | H29 | 109.5° | 109.5° |
| C15 | C20 | H27 | 109.5° | 109.4° |
| C15 | C20 | H28 | 109.4° | 109.5° |
| C17 | C15 | C16 | 109.3° | 109.4° |
| C17 | C15 | C14 | 109.3° | 109.5° |
| C15 | C17 | H21 | 109.5° | 109.5° |
| C15 | C17 | H22 | 109.4° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| O2 | C9 | N2 | 124.8° | 120.0° |
| O2 | C9 | C8 | 122.1° | 120.0° |
| N2 | C9 | C8 | 113.2° | 120.0° |
| C9 | N2 | H10 | 119.1° | 120.0° |
| C16 | C15 | C14 | 106.5° | 109.5° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.4° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C15 | C14 | C13 | 113.6° | 109.5° |
| C15 | C14 | N4 | 112.2° | 109.5° |
| C15 | C14 | H16 | 108.9° | 109.5° |
| C9 | C8 | N3 | 104.4° | 109.9° |
| C9 | C8 | C12 | 111.3° | 109.9° |
| C9 | C8 | H9 | 111.6° | 109.9° |
| O3 | C13 | C14 | 122.1° | 120.0° |
| O3 | C13 | N3 | 123.4° | 120.0° |
| C14 | C13 | N3 | 114.5° | 120.0° |
| C13 | C14 | N4 | 103.1° | 109.5° |
| C13 | C14 | H16 | 109.0° | 109.5° |
| C13 | N3 | C8 | 118.0° | 125.7° |
| C13 | N3 | C10 | 123.4° | 125.6° |
| C14 | N4 | C18 | 122.2° | 120.0° |
| N4 | C14 | H16 | 109.9° | 109.5° |
| C14 | N4 | H23 | 118.9° | 120.0° |
| N3 | C8 | C12 | 105.8° | 107.3° |
| C8 | N3 | C10 | 109.6° | 108.7° |
| N3 | C8 | H9 | 112.2° | 110.0° |
| C8 | C12 | C11 | 104.2° | 102.9° |
| C8 | C12 | H15 | 110.8° | 110.7° |
| C8 | C12 | H14 | 110.8° | 110.8° |
| C12 | C8 | H9 | 111.2° | 109.9° |
| N3 | C10 | C11 | 107.4° | 104.8° |
| N3 | C10 | H11 | 110.0° | 110.3° |
| N3 | C10 | H12 | 110.0° | 110.5° |
| N4 | C18 | O5 | 109.5° | 120.0° |
| N4 | C18 | O4 | 125.5° | 120.0° |
| C18 | N4 | H23 | 118.9° | 120.0° |
| C12 | C11 | C10 | 104.7° | 101.6° |
| C12 | C11 | C21 | 113.1° | 111.0° |
| C11 | C12 | H15 | 110.8° | 110.8° |
| C11 | C12 | H14 | 110.8° | 110.7° |
| C12 | C11 | H13 | 109.2° | 111.0° |
| C10 | C11 | C21 | 110.8° | 111.0° |
| C11 | C10 | H11 | 110.0° | 110.4° |
| C11 | C10 | H12 | 110.0° | 110.4° |
| C10 | C11 | H13 | 109.4° | 111.1° |
| O5 | C18 | O4 | 125.0° | 120.0° |
| C18 | O5 | C19 | 112.7° | 117.0° |
| O5 | C19 | H24 | 109.5° | 109.4° |
| O5 | C19 | H25 | 109.5° | 109.5° |
| O5 | C19 | H26 | 109.4° | 109.5° |
| C11 | C21 | F2 | 113.0° | 109.4° |
| C11 | C21 | F1 | 108.0° | 109.5° |
| C11 | C21 | F3 | 112.2° | 109.5° |
| C21 | C11 | H13 | 109.5° | 110.9° |
| F2 | C21 | F1 | 111.0° | 109.5° |
| F2 | C21 | F3 | 105.5° | 109.5° |
| F1 | C21 | F3 | 106.9° | 109.5° |
| H5 | C5 | H4 | 109.5° | 110.9° |
| H15 | C12 | H14 | 109.5° | 110.7° |
| H6 | C6 | H7 | 109.4° | 110.3° |
| H11 | C10 | H12 | 109.4° | 110.3° |
| H18 | C16 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.6° |
| H17 | C16 | H19 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | H20 | 109.4° | 109.4° |
| H22 | C17 | H20 | 109.5° | 109.5° |
| H29 | C20 | H27 | 109.5° | 109.5° |
| H29 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C6 | C5 | H6 | 119.2° | 119.1° |
| N1 | C6 | C5 | H7 | 119.2° | 118.9° |
| C6 | N1 | C7 | H8 | 180.0° | 179.8° |
| N1 | C6 | C5 | C4 | 26.8° | 25.4° |
| C6 | N1 | C7 | O1 | 175.4° | 179.5° |
| C6 | N1 | C7 | C4 | 4.0° | 0.1° |
| N1 | C6 | C5 | H5 | 146.0° | 143.4° |
| N1 | C6 | C5 | H4 | 92.4° | 92.7° |
| N1 | C6 | H6 | H7 | 122.4° | 121.9° |
| C5 | C6 | N1 | C7 | 19.7° | 16.8° |
| C6 | C5 | C4 | H5 | 119.2° | 118.0° |
| C6 | C5 | C4 | H4 | 119.2° | 118.3° |
| C6 | C5 | C4 | C7 | 24.3° | 24.9° |
| C6 | C5 | C4 | C3 | 141.5° | 143.6° |
| C6 | C5 | H5 | H4 | 122.3° | 124.0° |
| C5 | C6 | H6 | H7 | 122.3° | 121.9° |
| C6 | C5 | C4 | H3 | 94.3° | 93.8° |
| C5 | C6 | N1 | H8 | 160.3° | 163.0° |
| N1 | C7 | C4 | C5 | 13.2° | 16.5° |
| N1 | C7 | O1 | C4 | 179.3° | 179.6° |
| N1 | C7 | C4 | C3 | 132.7° | 135.2° |
| C7 | N1 | C6 | H6 | 99.5° | 136.0° |
| C7 | N1 | C6 | H7 | 138.9° | 102.0° |
| N1 | C7 | C4 | H3 | 105.1° | 102.1° |
| C5 | C4 | C7 | O1 | 167.3° | 163.8° |
| C5 | C4 | C7 | C3 | 119.5° | 118.7° |
| C5 | C4 | C7 | H3 | 118.3° | 118.7° |
| C5 | C4 | C3 | H3 | 124.0° | 122.6° |
| C5 | C4 | C3 | C1 | 68.5° | 71.1° |
| C4 | C5 | H5 | H4 | 122.4° | 123.7° |
| C4 | C5 | C6 | H6 | 92.4° | 144.5° |
| C4 | C5 | C6 | H7 | 146.0° | 93.5° |
| C5 | C4 | C3 | H1 | 51.7° | 48.9° |
| C5 | C4 | C3 | H2 | 171.2° | 168.9° |
| O1 | C7 | C4 | C3 | 47.8° | 45.2° |
| O1 | C7 | C4 | H3 | 74.3° | 77.5° |
| O1 | C7 | N1 | H8 | 4.6° | 0.7° |
| C7 | C4 | C3 | H3 | 122.1° | 122.6° |
| C7 | C4 | C3 | C1 | 177.6° | 174.2° |
| C7 | C4 | C5 | H5 | 143.4° | 143.0° |
| C7 | C4 | C5 | H4 | 94.9° | 93.3° |
| C7 | C4 | C3 | H1 | 62.2° | 65.9° |
| C7 | C4 | C3 | H2 | 57.3° | 54.1° |
| C4 | C7 | N1 | H8 | 176.0° | 179.7° |
| C4 | C3 | C1 | H1 | 120.2° | 120.0° |
| C4 | C3 | C1 | H2 | 120.2° | 120.0° |
| C4 | C3 | C1 | C2 | 171.9° | 174.5° |
| C4 | C3 | C1 | N2 | 73.6° | 65.5° |
| C3 | C4 | C5 | H5 | 99.4° | 98.4° |
| C3 | C4 | C5 | H4 | 22.3° | 25.3° |
| C4 | C3 | H1 | H2 | 119.3° | 120.0° |
| C4 | C3 | C1 | H30 | 50.3° | 54.5° |
| N5 | C2 | C1 | C3 | 95.4° | 120.0° |
| N5 | C2 | C1 | H31 | 180.0° | 180.0° |
| N5 | C2 | C1 | N2 | 146.7° | 0.0° |
| N5 | C2 | C1 | H30 | 26.2° | 119.9° |
| C3 | C1 | C2 | N2 | 117.9° | 120.0° |
| C3 | C1 | C2 | H30 | 121.6° | 120.0° |
| C3 | C1 | N2 | H30 | 123.3° | 120.0° |
| C3 | C1 | N2 | C9 | 119.1° | 157.5° |
| C1 | C3 | C4 | H3 | 55.5° | 51.5° |
| C1 | C3 | H1 | H2 | 119.3° | 120.0° |
| C3 | C1 | N2 | H10 | 60.9° | 22.5° |
| C3 | C1 | C2 | H31 | 84.6° | 60.0° |
| C2 | C1 | N2 | H30 | 119.9° | 120.0° |
| C2 | C1 | N2 | C9 | 124.1° | 82.5° |
| C2 | C1 | C3 | H1 | 51.7° | 54.5° |
| C2 | C1 | C3 | H2 | 67.8° | 65.5° |
| C2 | C1 | N2 | H10 | 55.9° | 97.5° |
| C1 | C2 | N5 | H32 | 180.0° | 180.0° |
| C1 | N2 | C9 | O2 | 0.8° | 0.0° |
| C1 | N2 | C9 | H10 | 180.0° | 180.0° |
| C1 | N2 | C9 | C8 | 179.2° | 180.0° |
| N2 | C1 | C3 | H1 | 166.1° | 174.5° |
| N2 | C1 | C3 | H2 | 46.6° | 54.6° |
| N2 | C1 | C2 | H31 | 33.3° | 180.0° |
| C20 | C15 | C17 | C16 | 117.5° | 120.0° |
| C20 | C15 | C17 | C14 | 126.2° | 120.0° |
| C20 | C15 | C16 | C14 | 123.7° | 120.0° |
| C20 | C15 | C14 | C13 | 56.1° | 64.3° |
| C20 | C15 | C14 | N4 | 60.3° | 55.7° |
| C20 | C15 | C16 | H18 | 180.0° | 180.0° |
| C20 | C15 | C16 | H17 | 60.0° | 60.0° |
| C20 | C15 | C16 | H19 | 60.0° | 59.9° |
| C20 | C15 | C17 | H21 | 180.0° | 55.6° |
| C20 | C15 | C17 | H22 | 60.0° | 175.7° |
| C20 | C15 | C17 | H20 | 60.0° | 64.3° |
| C15 | C20 | H29 | H27 | 120.0° | 120.0° |
| C15 | C20 | H29 | H28 | 120.0° | 120.0° |
| C15 | C20 | H27 | H28 | 120.0° | 120.0° |
| C20 | C15 | C14 | H16 | 177.8° | 175.7° |
| C17 | C15 | C16 | C14 | 118.0° | 120.0° |
| C17 | C15 | C14 | C13 | 66.7° | 55.7° |
| C17 | C15 | C14 | N4 | 176.9° | 175.7° |
| C17 | C15 | C16 | H18 | 61.7° | 60.0° |
| C17 | C15 | C16 | H17 | 178.3° | 180.0° |
| C17 | C15 | C16 | H19 | 58.3° | 60.1° |
| C15 | C17 | H21 | H22 | 120.0° | 120.0° |
| C15 | C17 | H21 | H20 | 120.0° | 120.0° |
| C15 | C17 | H22 | H20 | 120.0° | 120.0° |
| C17 | C15 | C20 | H29 | 180.0° | 60.0° |
| C17 | C15 | C20 | H27 | 60.0° | 180.0° |
| C17 | C15 | C20 | H28 | 60.0° | 60.0° |
| C17 | C15 | C14 | H16 | 54.9° | 64.3° |
| O2 | C9 | N2 | C8 | 179.9° | 180.0° |
| O2 | C9 | C8 | N3 | 41.9° | 18.6° |
| O2 | C9 | C8 | C12 | 71.8° | 99.3° |
| O2 | C9 | C8 | H9 | 163.3° | 139.7° |
| O2 | C9 | N2 | H10 | 179.2° | 180.0° |
| N2 | C9 | C8 | N3 | 138.1° | 161.5° |
| N2 | C9 | C8 | C12 | 108.3° | 80.7° |
| N2 | C9 | C8 | H9 | 16.6° | 40.3° |
| C9 | N2 | C1 | H30 | 4.2° | 37.5° |
| C16 | C15 | C14 | C13 | 175.3° | 175.7° |
| C16 | C15 | C14 | N4 | 58.9° | 64.4° |
| C15 | C16 | H18 | H17 | 120.0° | 119.9° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C16 | C15 | C17 | H21 | 62.5° | 175.6° |
| C16 | C15 | C17 | H22 | 57.5° | 64.4° |
| C16 | C15 | C17 | H20 | 177.5° | 55.7° |
| C16 | C15 | C20 | H29 | 61.5° | 60.0° |
| C16 | C15 | C20 | H27 | 178.5° | 60.0° |
| C16 | C15 | C20 | H28 | 58.5° | 180.0° |
| C16 | C15 | C14 | H16 | 63.0° | 55.7° |
| C15 | C14 | C13 | O3 | 67.6° | 78.9° |
| C15 | C14 | C13 | N4 | 121.6° | 120.0° |
| C15 | C14 | C13 | H16 | 121.6° | 120.0° |
| C15 | C14 | C13 | N3 | 112.5° | 101.1° |
| C15 | C14 | N4 | H16 | 121.4° | 120.0° |
| C15 | C14 | N4 | C18 | 125.8° | 85.0° |
| C14 | C15 | C16 | H18 | 56.3° | 59.9° |
| C14 | C15 | C16 | H17 | 63.7° | 60.0° |
| C14 | C15 | C16 | H19 | 176.3° | 180.0° |
| C14 | C15 | C17 | H21 | 53.8° | 64.4° |
| C14 | C15 | C17 | H22 | 173.8° | 55.6° |
| C14 | C15 | C17 | H20 | 66.2° | 175.7° |
| C14 | C15 | C20 | H29 | 57.0° | 180.0° |
| C14 | C15 | C20 | H27 | 63.0° | 60.0° |
| C14 | C15 | C20 | H28 | 177.0° | 60.0° |
| C15 | C14 | N4 | H23 | 54.2° | 95.0° |
| C9 | C8 | N3 | C13 | 72.3° | 59.5° |
| C9 | C8 | N3 | C12 | 117.6° | 119.4° |
| C9 | C8 | N3 | H9 | 121.0° | 121.1° |
| C9 | C8 | C12 | H9 | 125.1° | 121.0° |
| C9 | C8 | N3 | C10 | 139.5° | 120.5° |
| C9 | C8 | C12 | C11 | 142.0° | 97.2° |
| C9 | C8 | C12 | H15 | 22.8° | 21.2° |
| C9 | C8 | C12 | H14 | 98.9° | 144.4° |
| C8 | C9 | N2 | H10 | 0.8° | 0.0° |
| O3 | C13 | C14 | N3 | 179.9° | 180.0° |
| O3 | C13 | C14 | N4 | 54.0° | 41.0° |
| O3 | C13 | N3 | C8 | 0.5° | 4.1° |
| O3 | C13 | N3 | C10 | 144.0° | 176.0° |
| O3 | C13 | C14 | H16 | 170.8° | 161.1° |
| C13 | C14 | N4 | H16 | 116.1° | 120.0° |
| C14 | C13 | N3 | C8 | 179.4° | 175.9° |
| C14 | C13 | N3 | C10 | 35.9° | 4.0° |
| C13 | C14 | N4 | C18 | 111.6° | 155.0° |
| C13 | C14 | N4 | H23 | 68.4° | 25.0° |
| N3 | C13 | C14 | N4 | 125.8° | 139.0° |
| C13 | N3 | C8 | C10 | 148.2° | 180.0° |
| C13 | N3 | C8 | C12 | 170.2° | 178.9° |
| C13 | N3 | C10 | C11 | 151.8° | 155.8° |
| C13 | N3 | C10 | H11 | 32.1° | 37.0° |
| C13 | N3 | C10 | H12 | 88.5° | 85.2° |
| C13 | N3 | C8 | H9 | 48.8° | 61.6° |
| N3 | C13 | C14 | H16 | 9.1° | 18.9° |
| C14 | N4 | C18 | H23 | 180.0° | 180.0° |
| C14 | N4 | C18 | O5 | 166.9° | 180.0° |
| C14 | N4 | C18 | O4 | 14.5° | 0.0° |
| N3 | C8 | C12 | H9 | 122.1° | 119.6° |
| N3 | C8 | C12 | C11 | 29.2° | 22.2° |
| C8 | N3 | C10 | C11 | 5.6° | 24.2° |
| N3 | C8 | C12 | H15 | 90.0° | 140.6° |
| N3 | C8 | C12 | H14 | 148.3° | 96.2° |
| C8 | N3 | C10 | H11 | 114.1° | 143.0° |
| C8 | N3 | C10 | H12 | 125.3° | 94.8° |
| C12 | C8 | N3 | C10 | 21.9° | 1.1° |
| C8 | C12 | C11 | H15 | 119.2° | 118.3° |
| C8 | C12 | C11 | H14 | 119.1° | 118.5° |
| C8 | C12 | C11 | C10 | 25.3° | 35.5° |
| C8 | C12 | C11 | C21 | 95.4° | 153.6° |
| C8 | C12 | H15 | H14 | 122.4° | 123.3° |
| C8 | C12 | C11 | H13 | 142.4° | 82.6° |
| N3 | C10 | C11 | C12 | 12.7° | 37.0° |
| N3 | C10 | C11 | H11 | 119.7° | 118.8° |
| N3 | C10 | C11 | H12 | 119.7° | 119.0° |
| N3 | C10 | C11 | C21 | 109.5° | 155.1° |
| N3 | C10 | H11 | H12 | 120.9° | 122.3° |
| C10 | N3 | C8 | H9 | 99.5° | 118.4° |
| N3 | C10 | C11 | H13 | 129.7° | 81.0° |
| N4 | C18 | O5 | O4 | 178.5° | 180.0° |
| N4 | C18 | O5 | C19 | 177.7° | 180.0° |
| C18 | N4 | C14 | H16 | 4.4° | 35.0° |
| C12 | C11 | C10 | C21 | 122.3° | 118.0° |
| C12 | C11 | C10 | H13 | 116.9° | 118.1° |
| C12 | C11 | C21 | H13 | 122.1° | 123.8° |
| C12 | C11 | C21 | F2 | 59.3° | 179.9° |
| C12 | C11 | C21 | F1 | 63.9° | 60.1° |
| C12 | C11 | C21 | F3 | 178.5° | 60.0° |
| C11 | C12 | H15 | H14 | 122.4° | 123.2° |
| C12 | C11 | C10 | H11 | 132.5° | 155.8° |
| C12 | C11 | C10 | H12 | 106.9° | 82.0° |
| C11 | C12 | C8 | H9 | 92.9° | 141.8° |
| C10 | C11 | C21 | H13 | 120.7° | 124.0° |
| C10 | C11 | C21 | F2 | 57.9° | 67.9° |
| C10 | C11 | C21 | F1 | 178.9° | 52.1° |
| C10 | C11 | C21 | F3 | 61.3° | 172.2° |
| C10 | C11 | C12 | H15 | 93.8° | 153.8° |
| C10 | C11 | C12 | H14 | 144.5° | 83.0° |
| C11 | C10 | H11 | H12 | 120.9° | 122.3° |
| C18 | O5 | C19 | H24 | 180.0° | 60.0° |
| C18 | O5 | C19 | H25 | 60.0° | 59.9° |
| C18 | O5 | C19 | H26 | 60.0° | 180.0° |
| O5 | C18 | N4 | H23 | 13.1° | 0.0° |
| O4 | C18 | O5 | C19 | 3.7° | 0.1° |
| O4 | C18 | N4 | H23 | 165.4° | 180.0° |
| O5 | C19 | H24 | H25 | 120.0° | 120.0° |
| O5 | C19 | H24 | H26 | 120.0° | 120.0° |
| O5 | C19 | H25 | H26 | 120.0° | 120.0° |
| C11 | C21 | F2 | F1 | 121.5° | 120.0° |
| C11 | C21 | F2 | F3 | 123.0° | 120.0° |
| C11 | C21 | F1 | F3 | 121.0° | 120.0° |
| C21 | C11 | C12 | H15 | 145.4° | 88.1° |
| C21 | C11 | C12 | H14 | 23.7° | 35.1° |
| C21 | C11 | C10 | H11 | 10.2° | 86.1° |
| C21 | C11 | C10 | H12 | 130.8° | 36.1° |
| F2 | C21 | F1 | F3 | 114.6° | 120.0° |
| F2 | C21 | C11 | H13 | 178.6° | 56.1° |
| F1 | C21 | C11 | H13 | 58.2° | 176.1° |
| F3 | C21 | C11 | H13 | 59.4° | 63.9° |
| H5 | C5 | C6 | H6 | 26.8° | 97.5° |
| H5 | C5 | C6 | H7 | 94.8° | 24.5° |
| H5 | C5 | C4 | H3 | 24.9° | 24.3° |
| H4 | C5 | C6 | H6 | 148.4° | 26.4° |
| H4 | C5 | C6 | H7 | 26.8° | 148.4° |
| H4 | C5 | C4 | H3 | 146.6° | 148.0° |
| H15 | C12 | C8 | H9 | 147.9° | 99.8° |
| H15 | C12 | C11 | H13 | 23.2° | 35.7° |
| H14 | C12 | C8 | H9 | 26.2° | 23.4° |
| H14 | C12 | C11 | H13 | 98.5° | 158.9° |
| H6 | C6 | N1 | H8 | 80.5° | 43.8° |
| H7 | C6 | N1 | H8 | 41.1° | 78.2° |
| H11 | C10 | C11 | H13 | 110.6° | 37.7° |
| H12 | C10 | C11 | H13 | 10.0° | 160.0° |
| H3 | C4 | C3 | H1 | 175.8° | 171.5° |
| H3 | C4 | C3 | H2 | 64.7° | 68.5° |
| H18 | C16 | H17 | H19 | 120.0° | 120.1° |
| H21 | C17 | H22 | H20 | 120.0° | 120.0° |
| H29 | C20 | H27 | H28 | 120.0° | 120.1° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H1 | C3 | C1 | H30 | 70.0° | 65.5° |
| H2 | C3 | C1 | H30 | 170.5° | 174.5° |
| H30 | C1 | N2 | H10 | 175.8° | 142.5° |
| H30 | C1 | C2 | H31 | 153.8° | 60.0° |
| H16 | C14 | N4 | H23 | 175.6° | 145.0° |
| H31 | C2 | N5 | H32 | 0.0° | 0.1° |
