VUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O2 | S1 | doub | 1.42Å | 1.62Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| N1 | C10 | sing | 1.35Å | 1.45Å | |
| N1 | S1 | sing | 1.66Å | 1.71Å | |
| C10 | O1 | doub | 1.21Å | 1.17Å | |
| S1 | O3 | doub | 1.42Å | 1.63Å | |
| S1 | O4 | sing | 1.52Å | 1.64Å | |
| O4 | C11 | sing | 1.43Å | 1.38Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C18 | N2 | sing | 1.36Å | 1.32Å | Aromatic |
| N3 | C17 | sing | 1.35Å | 1.35Å | Aromatic |
| O5 | C12 | sing | 1.44Å | 1.30Å | |
| O5 | C15 | sing | 1.44Å | 1.61Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| N2 | C15 | sing | 1.46Å | 1.43Å | |
| N2 | C16 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.36Å | Aromatic |
| N6 | C20 | sing | 1.38Å | 1.43Å | |
| C13 | O7 | sing | 1.43Å | 1.34Å | |
| C13 | C14 | sing | 1.54Å | 1.53Å | |
| C15 | C14 | sing | 1.54Å | 1.30Å | |
| C20 | N5 | sing | 1.33Å | 1.32Å | Aromatic |
| C16 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | O6 | sing | 1.43Å | 1.49Å | |
| N5 | C19 | doub | 1.32Å | 1.31Å | Aromatic |
| N4 | C19 | sing | 1.32Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C19 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.8° | 109.5° |
| C1 | C2 | H5 | 108.8° | 109.4° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.5° |
| C3 | C2 | H5 | 108.8° | 109.5° |
| C2 | C3 | H17 | 108.6° | 109.5° |
| C2 | C3 | H18 | 108.6° | 109.5° |
| C8 | C9 | C10 | 111.1° | 109.5° |
| C9 | C8 | C7 | 112.3° | 109.5° |
| C9 | C8 | H12 | 108.8° | 109.5° |
| C9 | C8 | H13 | 108.8° | 109.5° |
| C8 | C9 | H23 | 109.1° | 109.5° |
| C8 | C9 | H24 | 109.1° | 109.5° |
| C9 | C10 | N1 | 120.7° | 120.0° |
| C9 | C10 | O1 | 119.7° | 120.0° |
| C10 | C9 | H23 | 109.1° | 109.5° |
| C10 | C9 | H24 | 109.0° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | H15 | 108.7° | 109.5° |
| C3 | C4 | H16 | 108.7° | 109.5° |
| C4 | C3 | H17 | 108.6° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.4° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C4 | C5 | H6 | 108.7° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.4° |
| C5 | C4 | H15 | 108.7° | 109.5° |
| C5 | C4 | H16 | 108.7° | 109.4° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C6 | C5 | H6 | 108.7° | 109.5° |
| C6 | C5 | H7 | 108.7° | 109.5° |
| C5 | C6 | H8 | 108.1° | 109.4° |
| C5 | C6 | H9 | 108.1° | 109.5° |
| O2 | S1 | N1 | 106.9° | 106.4° |
| O2 | S1 | O3 | 110.2° | 123.1° |
| O2 | S1 | O4 | 107.3° | 106.4° |
| C8 | C7 | C6 | 108.7° | 109.5° |
| C8 | C7 | H10 | 109.7° | 109.5° |
| C8 | C7 | H11 | 109.7° | 109.4° |
| C7 | C8 | H12 | 108.8° | 109.5° |
| C7 | C8 | H13 | 108.7° | 109.4° |
| C7 | C6 | H8 | 108.2° | 109.4° |
| C7 | C6 | H9 | 108.1° | 109.5° |
| C6 | C7 | H10 | 109.7° | 109.4° |
| C6 | C7 | H11 | 109.7° | 109.5° |
| C10 | N1 | S1 | 121.6° | 120.0° |
| N1 | C10 | O1 | 119.6° | 120.0° |
| C10 | N1 | H14 | 119.2° | 120.0° |
| N1 | S1 | O3 | 110.6° | 106.3° |
| N1 | S1 | O4 | 113.6° | 107.3° |
| S1 | N1 | H14 | 119.2° | 120.0° |
| O3 | S1 | O4 | 108.2° | 106.4° |
| S1 | O4 | C11 | 116.9° | 114.0° |
| O4 | C11 | C12 | 105.6° | 109.4° |
| O4 | C11 | H25 | 110.4° | 109.5° |
| O4 | C11 | H26 | 110.4° | 109.5° |
| C11 | C12 | O5 | 110.6° | 110.4° |
| C11 | C12 | C13 | 108.6° | 110.4° |
| C12 | C11 | H25 | 110.4° | 109.4° |
| C12 | C11 | H26 | 110.4° | 109.5° |
| C11 | C12 | H27 | 110.1° | 110.3° |
| N3 | C18 | N2 | 109.2° | 110.0° |
| C18 | N3 | C17 | 108.4° | 109.4° |
| N3 | C18 | H31 | 125.4° | 125.0° |
| C18 | N2 | C15 | 127.0° | 126.3° |
| C18 | N2 | C16 | 108.7° | 107.4° |
| N2 | C18 | H31 | 125.4° | 125.0° |
| N3 | C17 | C20 | 137.3° | 134.7° |
| N3 | C17 | C16 | 107.1° | 107.2° |
| C12 | O5 | C15 | 106.2° | 105.3° |
| O5 | C12 | C13 | 103.2° | 104.8° |
| O5 | C12 | H27 | 113.8° | 110.4° |
| O5 | C15 | N2 | 109.7° | 110.4° |
| O5 | C15 | C14 | 105.9° | 104.8° |
| O5 | C15 | H30 | 107.9° | 110.3° |
| C12 | C13 | O7 | 109.0° | 110.5° |
| C12 | C13 | C14 | 99.4° | 104.1° |
| C13 | C12 | H27 | 110.2° | 110.5° |
| C12 | C13 | H28 | 110.7° | 110.5° |
| C15 | N2 | C16 | 124.3° | 126.2° |
| N2 | C15 | C14 | 110.8° | 110.4° |
| N2 | C15 | H30 | 110.1° | 110.4° |
| N2 | C16 | C17 | 106.5° | 106.0° |
| N2 | C16 | N4 | 133.7° | 135.0° |
| C20 | C17 | C16 | 115.6° | 118.2° |
| C17 | C20 | N6 | 120.3° | 120.8° |
| C17 | C20 | N5 | 121.8° | 118.4° |
| C17 | C16 | N4 | 119.8° | 119.1° |
| N6 | C20 | N5 | 117.9° | 120.8° |
| C20 | N6 | H19 | 109.5° | 120.0° |
| C20 | N6 | H20 | 109.5° | 120.0° |
| O7 | C13 | C14 | 112.9° | 110.5° |
| C13 | O7 | H22 | 109.5° | 114.0° |
| O7 | C13 | H28 | 113.5° | 110.4° |
| C13 | C14 | C15 | 102.7° | 104.1° |
| C13 | C14 | O6 | 109.2° | 110.6° |
| C14 | C13 | H28 | 110.5° | 110.6° |
| C13 | C14 | H29 | 110.7° | 110.5° |
| C15 | C14 | O6 | 107.9° | 110.5° |
| C15 | C14 | H29 | 114.6° | 110.5° |
| C14 | C15 | H30 | 112.3° | 110.4° |
| C20 | N5 | C19 | 120.1° | 121.2° |
| C16 | N4 | C19 | 122.3° | 120.6° |
| C14 | O6 | H21 | 109.5° | 114.0° |
| O6 | C14 | H29 | 111.4° | 110.4° |
| N5 | C19 | N4 | 120.5° | 122.5° |
| N5 | C19 | H32 | 119.8° | 118.7° |
| N4 | C19 | H32 | 119.8° | 118.8° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.4° |
| H15 | C4 | H16 | 109.5° | 109.4° |
| H17 | C3 | H18 | 109.5° | 109.5° |
| H19 | N6 | H20 | 109.5° | 119.9° |
| H23 | C9 | H24 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.4° | 120.0° |
| C1 | C2 | C3 | H5 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 145.5° | 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 | H4 | H5 | 118.7° | 120.0° |
| C1 | C2 | C3 | H17 | 94.0° | 60.0° |
| C1 | C2 | C3 | H18 | 24.9° | 60.0° |
| C2 | C3 | C4 | H17 | 120.5° | 120.0° |
| C2 | C3 | C4 | H18 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 84.2° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.7° | 120.0° |
| C2 | C3 | C4 | H15 | 155.3° | 60.0° |
| C2 | C3 | C4 | H16 | 36.2° | 59.9° |
| C2 | C3 | H17 | H18 | 118.4° | 120.0° |
| C8 | C9 | C10 | H23 | 120.2° | 120.0° |
| C8 | C9 | C10 | H24 | 120.2° | 120.0° |
| C9 | C8 | C7 | H12 | 120.5° | 120.0° |
| C9 | C8 | C7 | H13 | 120.4° | 120.0° |
| C9 | C8 | C7 | C6 | 165.3° | 180.0° |
| C8 | C9 | C10 | N1 | 175.1° | 180.0° |
| C8 | C9 | C10 | O1 | 3.8° | 0.0° |
| C9 | C8 | C7 | H10 | 74.8° | 60.0° |
| C9 | C8 | C7 | H11 | 45.4° | 60.0° |
| C9 | C8 | H12 | H13 | 118.7° | 120.0° |
| C8 | C9 | H23 | H24 | 119.3° | 120.0° |
| C10 | C9 | C8 | C7 | 162.6° | 180.0° |
| C9 | C10 | N1 | O1 | 178.9° | 179.9° |
| C9 | C10 | N1 | S1 | 179.5° | 180.0° |
| C10 | C9 | C8 | H12 | 42.1° | 60.0° |
| C10 | C9 | C8 | H13 | 77.0° | 60.0° |
| C9 | C10 | N1 | H14 | 0.5° | 0.1° |
| C10 | C9 | H23 | H24 | 119.2° | 120.0° |
| C3 | C4 | C5 | H15 | 120.5° | 120.0° |
| C3 | C4 | C5 | H16 | 120.4° | 120.1° |
| C3 | C4 | C5 | C6 | 159.5° | 179.9° |
| C4 | C3 | C2 | H4 | 25.0° | 60.0° |
| C4 | C3 | C2 | H5 | 94.1° | 60.0° |
| C3 | C4 | C5 | H6 | 80.1° | 60.0° |
| C3 | C4 | C5 | H7 | 39.1° | 60.0° |
| C3 | C4 | H15 | H16 | 118.7° | 120.1° |
| C4 | C3 | H17 | H18 | 118.4° | 120.0° |
| C4 | C5 | C6 | H6 | 120.4° | 120.1° |
| C4 | C5 | C6 | H7 | 120.5° | 119.9° |
| C4 | C5 | C6 | C7 | 83.7° | 180.0° |
| C4 | C5 | H6 | H7 | 118.7° | 120.0° |
| C4 | C5 | C6 | H8 | 155.5° | 60.1° |
| C4 | C5 | C6 | H9 | 37.0° | 60.0° |
| C5 | C4 | H15 | H16 | 118.6° | 119.9° |
| C5 | C4 | C3 | H17 | 36.3° | 60.0° |
| C5 | C4 | C3 | H18 | 155.3° | 60.0° |
| C5 | C6 | C7 | C8 | 140.7° | 179.9° |
| C5 | C6 | C7 | H8 | 120.8° | 119.9° |
| C5 | C6 | C7 | H9 | 120.8° | 120.0° |
| C6 | C5 | H6 | H7 | 118.6° | 120.0° |
| C5 | C6 | H8 | H9 | 117.6° | 120.0° |
| C5 | C6 | C7 | H10 | 20.8° | 60.1° |
| C5 | C6 | C7 | H11 | 99.4° | 60.0° |
| C6 | C5 | C4 | H15 | 39.0° | 59.9° |
| C6 | C5 | C4 | H16 | 80.1° | 60.0° |
| O2 | S1 | N1 | C10 | 78.3° | 178.5° |
| O2 | S1 | N1 | O3 | 119.9° | 132.8° |
| O2 | S1 | N1 | O4 | 118.2° | 113.6° |
| O2 | S1 | O3 | O4 | 117.0° | 123.0° |
| O2 | S1 | O4 | C11 | 177.7° | 38.6° |
| O2 | S1 | N1 | H14 | 101.7° | 1.3° |
| C8 | C7 | C6 | H10 | 119.9° | 120.0° |
| C8 | C7 | C6 | H11 | 119.9° | 120.0° |
| C8 | C7 | C6 | H8 | 19.9° | 60.0° |
| C8 | C7 | C6 | H9 | 98.5° | 60.0° |
| C8 | C7 | H10 | H11 | 120.3° | 120.0° |
| C7 | C8 | H12 | H13 | 118.7° | 119.9° |
| C7 | C8 | C9 | H23 | 42.3° | 60.0° |
| C7 | C8 | C9 | H24 | 77.2° | 60.0° |
| C7 | C6 | C5 | H6 | 36.7° | 59.9° |
| C7 | C6 | C5 | H7 | 155.8° | 60.0° |
| C7 | C6 | H8 | H9 | 117.6° | 120.0° |
| C6 | C7 | H10 | H11 | 120.3° | 120.0° |
| C6 | C7 | C8 | H12 | 44.8° | 60.0° |
| C6 | C7 | C8 | H13 | 74.3° | 60.0° |
| C10 | N1 | S1 | H14 | 180.0° | 179.9° |
| C10 | N1 | S1 | O3 | 161.8° | 48.6° |
| C10 | N1 | S1 | O4 | 39.9° | 64.9° |
| N1 | C10 | C9 | H23 | 54.8° | 60.0° |
| N1 | C10 | C9 | H24 | 64.7° | 59.9° |
| S1 | N1 | C10 | O1 | 0.7° | 0.1° |
| N1 | S1 | O3 | O4 | 125.0° | 114.1° |
| N1 | S1 | O4 | C11 | 64.3° | 75.0° |
| O1 | C10 | N1 | H14 | 179.3° | 180.0° |
| O1 | C10 | C9 | H23 | 124.0° | 120.0° |
| O1 | C10 | C9 | H24 | 116.5° | 120.0° |
| O3 | S1 | O4 | C11 | 58.9° | 171.5° |
| O3 | S1 | N1 | H14 | 18.2° | 131.5° |
| S1 | O4 | C11 | C12 | 179.4° | 180.0° |
| O4 | S1 | N1 | H14 | 140.1° | 115.0° |
| S1 | O4 | C11 | H25 | 61.2° | 60.0° |
| S1 | O4 | C11 | H26 | 60.0° | 60.0° |
| O4 | C11 | C12 | H25 | 119.4° | 120.0° |
| O4 | C11 | C12 | H26 | 119.4° | 120.0° |
| O4 | C11 | C12 | O5 | 46.3° | 66.5° |
| O4 | C11 | C12 | C13 | 158.9° | 178.2° |
| O4 | C11 | H25 | H26 | 121.8° | 120.0° |
| O4 | C11 | C12 | H27 | 80.3° | 55.8° |
| C11 | C12 | O5 | C13 | 116.0° | 118.8° |
| C11 | C12 | O5 | H27 | 124.5° | 122.2° |
| C11 | C12 | O5 | C15 | 143.6° | 159.3° |
| C11 | C12 | C13 | H27 | 120.7° | 122.3° |
| C11 | C12 | C13 | O7 | 79.9° | 98.5° |
| C11 | C12 | C13 | C14 | 161.8° | 142.8° |
| C12 | C11 | H25 | H26 | 121.8° | 120.0° |
| C11 | C12 | C13 | H28 | 45.6° | 24.0° |
| N3 | C18 | N2 | H31 | 180.0° | 179.6° |
| N3 | C18 | N2 | C15 | 179.6° | 179.9° |
| N3 | C18 | N2 | C16 | 0.0° | 0.4° |
| C18 | N3 | C17 | C20 | 179.8° | 180.0° |
| C18 | N3 | C17 | C16 | 0.4° | 0.2° |
| N2 | C18 | N3 | C17 | 0.2° | 0.4° |
| C18 | N2 | C15 | O5 | 17.6° | 23.2° |
| C18 | N2 | C15 | C16 | 179.5° | 179.7° |
| C18 | N2 | C16 | C17 | 0.3° | 0.2° |
| C18 | N2 | C15 | C14 | 99.0° | 92.2° |
| C18 | N2 | C16 | N4 | 179.5° | 179.7° |
| C18 | N2 | C15 | H30 | 136.1° | 145.5° |
| N3 | C17 | C16 | N2 | 0.4° | 0.0° |
| N3 | C17 | C20 | C16 | 179.3° | 179.8° |
| N3 | C17 | C20 | N6 | 0.4° | 0.0° |
| N3 | C17 | C20 | N5 | 179.9° | 179.9° |
| N3 | C17 | C16 | N4 | 179.8° | 180.0° |
| C17 | N3 | C18 | H31 | 179.8° | 180.0° |
| O5 | C12 | C13 | H27 | 121.9° | 118.9° |
| C12 | O5 | C15 | N2 | 118.4° | 159.4° |
| O5 | C12 | C13 | O7 | 162.7° | 142.6° |
| O5 | C12 | C13 | C14 | 44.4° | 24.0° |
| C12 | O5 | C15 | C14 | 1.3° | 40.5° |
| O5 | C12 | C11 | H25 | 73.1° | 53.5° |
| O5 | C12 | C11 | H26 | 165.7° | 173.5° |
| O5 | C12 | C13 | H28 | 71.8° | 94.8° |
| C12 | O5 | C15 | H30 | 121.7° | 78.4° |
| C15 | O5 | C12 | C13 | 27.5° | 40.5° |
| O5 | C15 | N2 | C14 | 116.6° | 115.4° |
| O5 | C15 | N2 | H30 | 118.6° | 122.2° |
| O5 | C15 | N2 | C16 | 161.9° | 156.4° |
| O5 | C15 | C14 | C13 | 29.1° | 23.9° |
| O5 | C15 | C14 | H30 | 117.5° | 118.8° |
| O5 | C15 | C14 | O6 | 86.2° | 142.6° |
| C15 | O5 | C12 | H27 | 91.9° | 78.5° |
| O5 | C15 | C14 | H29 | 149.1° | 94.8° |
| C12 | C13 | O7 | C14 | 109.5° | 114.7° |
| C12 | C13 | O7 | H28 | 123.8° | 122.6° |
| C12 | C13 | C14 | H28 | 116.3° | 118.7° |
| C12 | C13 | C14 | C15 | 45.2° | 0.0° |
| C12 | C13 | C14 | O6 | 69.2° | 118.7° |
| C12 | C13 | O7 | H22 | 180.0° | 180.0° |
| C13 | C12 | C11 | H25 | 39.5° | 61.8° |
| C13 | C12 | C11 | H26 | 81.7° | 58.1° |
| C12 | C13 | C14 | H29 | 167.9° | 118.7° |
| C15 | N2 | C16 | C17 | 179.9° | 180.0° |
| N2 | C15 | C14 | C13 | 89.8° | 142.8° |
| N2 | C15 | C14 | H30 | 123.6° | 122.3° |
| C15 | N2 | C16 | N4 | 0.9° | 0.0° |
| N2 | C15 | C14 | O6 | 154.9° | 98.5° |
| N2 | C15 | C14 | H29 | 30.2° | 24.1° |
| C15 | N2 | C18 | H31 | 0.4° | 0.3° |
| N2 | C16 | C17 | C20 | 179.9° | 179.8° |
| N2 | C16 | C17 | N4 | 179.4° | 180.0° |
| C16 | N2 | C15 | C14 | 81.5° | 88.2° |
| N2 | C16 | N4 | C19 | 179.9° | 180.0° |
| C16 | N2 | C15 | H30 | 43.4° | 34.2° |
| C16 | N2 | C18 | H31 | 180.0° | 180.0° |
| C17 | C20 | N6 | N5 | 179.7° | 179.9° |
| C20 | C17 | C16 | N4 | 0.7° | 0.2° |
| C17 | C20 | N5 | C19 | 0.5° | 0.2° |
| C17 | C20 | N6 | H19 | 179.7° | 0.1° |
| C17 | C20 | N6 | H20 | 60.3° | 180.0° |
| C16 | C17 | C20 | N6 | 179.7° | 179.8° |
| C16 | C17 | C20 | N5 | 0.6° | 0.3° |
| C17 | C16 | N4 | C19 | 0.7° | 0.0° |
| N6 | C20 | N5 | C19 | 179.8° | 179.9° |
| C20 | N6 | H19 | H20 | 120.0° | 179.9° |
| O7 | C13 | C14 | H28 | 128.3° | 122.6° |
| O7 | C13 | C14 | C15 | 160.5° | 118.7° |
| O7 | C13 | C14 | O6 | 46.2° | 0.0° |
| O7 | C13 | C12 | H27 | 40.8° | 23.8° |
| O7 | C13 | C14 | H29 | 76.7° | 122.6° |
| C13 | C14 | C15 | O6 | 115.2° | 118.7° |
| C13 | C14 | C15 | H29 | 120.1° | 118.7° |
| C13 | C14 | O6 | H29 | 122.5° | 122.6° |
| C13 | C14 | O6 | H21 | 180.0° | 61.4° |
| C14 | C13 | O7 | H22 | 70.5° | 65.4° |
| C14 | C13 | C12 | H27 | 77.5° | 94.9° |
| C13 | C14 | C15 | H30 | 146.5° | 94.9° |
| C15 | C14 | O6 | H29 | 126.6° | 122.7° |
| C15 | C14 | O6 | H21 | 69.2° | 176.1° |
| C15 | C14 | C13 | H28 | 71.2° | 118.7° |
| C20 | N5 | C19 | N4 | 0.5° | 0.0° |
| N5 | C20 | N6 | H19 | 0.0° | 180.0° |
| N5 | C20 | N6 | H20 | 120.0° | 0.1° |
| C20 | N5 | C19 | H32 | 179.5° | 179.9° |
| C16 | N4 | C19 | N5 | 0.6° | 0.1° |
| C16 | N4 | C19 | H32 | 179.4° | 180.0° |
| O6 | C14 | C13 | H28 | 174.5° | 122.6° |
| O6 | C14 | C15 | H30 | 31.3° | 23.8° |
| N5 | C19 | N4 | H32 | 180.0° | 179.9° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H1 | C1 | C2 | H4 | 59.5° | 60.0° |
| H1 | C1 | C2 | H5 | 59.6° | 60.0° |
| H2 | C1 | C2 | H4 | 60.4° | 60.0° |
| H2 | C1 | C2 | H5 | 179.6° | 180.0° |
| H3 | C1 | C2 | H4 | 179.5° | 180.0° |
| H3 | C1 | C2 | H5 | 60.4° | 60.0° |
| H4 | C2 | C3 | H17 | 145.6° | 180.0° |
| H4 | C2 | C3 | H18 | 95.5° | 60.0° |
| H5 | C2 | C3 | H17 | 26.4° | 60.0° |
| H5 | C2 | C3 | H18 | 145.4° | NaN° |
| H6 | C5 | C6 | H8 | 84.1° | 60.0° |
| H6 | C5 | C6 | H9 | 157.5° | 180.0° |
| H6 | C5 | C4 | H15 | 159.5° | 180.0° |
| H6 | C5 | C4 | H16 | 40.4° | 60.1° |
| H7 | C5 | C6 | H8 | 35.0° | 180.0° |
| H7 | C5 | C6 | H9 | 83.4° | 60.0° |
| H7 | C5 | C4 | H15 | 81.4° | 60.1° |
| H7 | C5 | C4 | H16 | 159.5° | 179.9° |
| H8 | C6 | C7 | H10 | 100.0° | 180.0° |
| H8 | C6 | C7 | H11 | 139.8° | 59.9° |
| H9 | C6 | C7 | H10 | 141.6° | 59.9° |
| H9 | C6 | C7 | H11 | 21.4° | 180.0° |
| H10 | C7 | C8 | H12 | 164.8° | 179.9° |
| H10 | C7 | C8 | H13 | 45.6° | 60.0° |
| H11 | C7 | C8 | H12 | 75.1° | 60.0° |
| H11 | C7 | C8 | H13 | 165.8° | 180.0° |
| H12 | C8 | C9 | H23 | 78.1° | 180.0° |
| H12 | C8 | C9 | H24 | 162.3° | 60.1° |
| H13 | C8 | C9 | H23 | 162.7° | 60.0° |
| H13 | C8 | C9 | H24 | 43.2° | 180.0° |
| H15 | C4 | C3 | H17 | 84.1° | 60.0° |
| H15 | C4 | C3 | H18 | 34.8° | 180.0° |
| H16 | C4 | C3 | H17 | 156.7° | 180.0° |
| H16 | C4 | C3 | H18 | 84.3° | 60.0° |
| H21 | O6 | C14 | H29 | 57.5° | 61.2° |
| H22 | O7 | C13 | H28 | 56.2° | 57.4° |
| H25 | C11 | C12 | H27 | 160.3° | 175.8° |
| H26 | C11 | C12 | H27 | 39.1° | 64.2° |
| H27 | C12 | C13 | H28 | 166.3° | 146.3° |
| H28 | C13 | C14 | H29 | 51.6° | 0.0° |
| H29 | C14 | C15 | H30 | 93.4° | 146.4° |
