QUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C19 | doub | 1.22Å | 1.29Å | |
| N3 | C19 | sing | 1.35Å | 1.33Å | |
| N3 | C20 | sing | 1.35Å | 1.33Å | |
| C19 | C17 | sing | 1.42Å | 1.43Å | |
| O16 | C20 | doub | 1.22Å | 1.32Å | |
| C20 | N2 | sing | 1.34Å | 1.39Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.35Å | 1.41Å | |
| N2 | C16 | sing | 1.37Å | 1.37Å | |
| N2 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | O14 | sing | 1.44Å | 1.46Å | |
| C15 | C14 | sing | 1.55Å | 1.51Å | |
| O8 | P1 | doub | 1.48Å | 1.56Å | |
| O14 | C12 | sing | 1.44Å | 1.43Å | |
| C14 | C13 | sing | 1.54Å | 1.52Å | |
| P1 | O7 | sing | 1.61Å | 1.54Å | |
| P1 | O9 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | sing | 1.61Å | 1.55Å | |
| O9 | P2 | sing | 1.61Å | 1.61Å | |
| C12 | C13 | sing | 1.54Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | O13 | sing | 1.43Å | 1.45Å | |
| O12 | C11 | sing | 1.43Å | 1.41Å | |
| O12 | P2 | sing | 1.61Å | 1.57Å | |
| O6 | C10 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| P2 | O10 | doub | 1.48Å | 1.45Å | |
| P2 | O11 | sing | 1.61Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | O2 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| O5 | C9 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | N1 | sing | 1.35Å | 1.39Å | |
| C10 | C9 | sing | 1.53Å | 1.49Å | |
| C10 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | C9 | sing | 1.53Å | 1.50Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| O4 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | O3 | sing | 1.43Å | 1.45Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O2 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| O7 | H19 | sing | 0.97Å | 0.95Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| O13 | H25 | sing | 0.97Å | 0.95Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C19 | N3 | 117.4° | 120.3° |
| O15 | C19 | C17 | 120.4° | 120.3° |
| C19 | N3 | C20 | 119.7° | 120.2° |
| N3 | C19 | C17 | 122.1° | 119.4° |
| C19 | N3 | H33 | 120.1° | 119.9° |
| N3 | C20 | O16 | 115.3° | 119.5° |
| N3 | C20 | N2 | 122.6° | 120.9° |
| C20 | N3 | H33 | 120.1° | 119.9° |
| C19 | C17 | C18 | 120.9° | 120.4° |
| C19 | C17 | C16 | 116.1° | 119.1° |
| O16 | C20 | N2 | 122.1° | 119.6° |
| C20 | N2 | C16 | 119.0° | 120.6° |
| C20 | N2 | C15 | 121.3° | 119.7° |
| C18 | C17 | C16 | 123.0° | 120.4° |
| C17 | C18 | H30 | 109.5° | 109.5° |
| C17 | C18 | H31 | 109.4° | 109.5° |
| C17 | C18 | H32 | 109.5° | 109.5° |
| C17 | C16 | N2 | 120.5° | 119.7° |
| C17 | C16 | H29 | 119.7° | 120.2° |
| C16 | N2 | C15 | 119.6° | 119.7° |
| N2 | C16 | H29 | 119.7° | 120.2° |
| N2 | C15 | O14 | 106.1° | 110.4° |
| N2 | C15 | C14 | 116.8° | 110.4° |
| N2 | C15 | H28 | 109.1° | 110.4° |
| O14 | C15 | C14 | 107.1° | 104.8° |
| C15 | O14 | C12 | 109.8° | 105.2° |
| O14 | C15 | H28 | 109.0° | 110.4° |
| C15 | C14 | C13 | 101.1° | 104.0° |
| C15 | C14 | H26 | 111.5° | 110.4° |
| C15 | C14 | H27 | 111.6° | 110.6° |
| C14 | C15 | H28 | 108.4° | 110.4° |
| O8 | P1 | O7 | 115.0° | 109.5° |
| O8 | P1 | O9 | 96.7° | 109.4° |
| O8 | P1 | O6 | 103.9° | 109.5° |
| O14 | C12 | C13 | 105.6° | 104.8° |
| O14 | C12 | C11 | 111.7° | 110.3° |
| O14 | C12 | H23 | 109.8° | 110.4° |
| C14 | C13 | C12 | 105.8° | 104.1° |
| C14 | C13 | O13 | 105.2° | 110.5° |
| C14 | C13 | H24 | 111.8° | 110.6° |
| C13 | C14 | H26 | 111.5° | 110.5° |
| C13 | C14 | H27 | 111.5° | 110.5° |
| O7 | P1 | O9 | 111.3° | 109.5° |
| O7 | P1 | O6 | 114.1° | 109.5° |
| P1 | O7 | H19 | 109.5° | 114.0° |
| O9 | P1 | O6 | 114.5° | 109.5° |
| P1 | O9 | P2 | 129.5° | 134.0° |
| P1 | O6 | C10 | 119.6° | 123.0° |
| O9 | P2 | O12 | 101.9° | 109.5° |
| O9 | P2 | O10 | 112.6° | 109.4° |
| O9 | P2 | O11 | 111.8° | 109.4° |
| C13 | C12 | C11 | 112.5° | 110.4° |
| C12 | C13 | O13 | 108.9° | 110.5° |
| C13 | C12 | H23 | 108.5° | 110.4° |
| C12 | C13 | H24 | 111.6° | 110.5° |
| C12 | C11 | O12 | 105.1° | 109.5° |
| C12 | C11 | H21 | 110.5° | 109.5° |
| C12 | C11 | H22 | 110.6° | 109.4° |
| C11 | C12 | H23 | 108.7° | 110.4° |
| O13 | C13 | H24 | 113.1° | 110.5° |
| C13 | O13 | H25 | 109.5° | 114.0° |
| C11 | O12 | P2 | 125.0° | 123.0° |
| O12 | C11 | H21 | 110.6° | 109.5° |
| O12 | C11 | H22 | 110.5° | 109.4° |
| O12 | P2 | O10 | 106.1° | 109.5° |
| O12 | P2 | O11 | 112.2° | 109.5° |
| O6 | C10 | C9 | 108.4° | 109.5° |
| O6 | C10 | O4 | 112.3° | 109.5° |
| O6 | C10 | H18 | 109.1° | 109.4° |
| O1 | C1 | C2 | 124.7° | 120.0° |
| O1 | C1 | N1 | 122.3° | 120.0° |
| O10 | P2 | O11 | 111.7° | 109.5° |
| P2 | O11 | H20 | 109.5° | 114.0° |
| C4 | C3 | O2 | 104.9° | 109.5° |
| C4 | C3 | C2 | 113.1° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.5° |
| O2 | C3 | C2 | 110.7° | 109.4° |
| O2 | C3 | H3 | 110.0° | 109.4° |
| C3 | O2 | H4 | 109.5° | 114.0° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C3 | C2 | H1 | 108.8° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| O5 | C9 | C10 | 109.3° | 109.6° |
| O5 | C9 | C5 | 112.9° | 109.5° |
| O5 | C9 | H16 | 108.4° | 109.6° |
| C9 | O5 | H17 | 109.5° | 114.0° |
| C2 | C1 | N1 | 113.0° | 120.0° |
| C1 | C2 | H1 | 108.8° | 109.4° |
| C1 | C2 | H2 | 108.8° | 109.5° |
| C1 | N1 | C5 | 122.3° | 120.0° |
| C1 | N1 | H8 | 118.9° | 120.0° |
| C9 | C10 | O4 | 110.0° | 109.4° |
| C10 | C9 | C5 | 111.5° | 109.1° |
| C10 | C9 | H16 | 107.3° | 109.5° |
| C9 | C10 | H18 | 108.1° | 109.5° |
| C10 | O4 | C7 | 115.1° | 114.1° |
| O4 | C10 | H18 | 109.0° | 109.5° |
| C9 | C5 | N1 | 110.5° | 109.5° |
| C9 | C5 | C6 | 105.4° | 109.1° |
| C9 | C5 | H9 | 110.1° | 109.5° |
| C5 | C9 | H16 | 107.2° | 109.5° |
| N1 | C5 | C6 | 110.4° | 109.6° |
| C5 | N1 | H8 | 118.9° | 119.9° |
| N1 | C5 | H9 | 110.7° | 109.5° |
| C5 | C6 | C7 | 107.5° | 109.2° |
| C5 | C6 | O3 | 108.2° | 109.5° |
| C6 | C5 | H9 | 109.7° | 109.6° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| O4 | C7 | C6 | 109.9° | 109.4° |
| O4 | C7 | C8 | 108.8° | 109.5° |
| O4 | C7 | H12 | 108.9° | 109.4° |
| C6 | C7 | C8 | 113.4° | 109.5° |
| C7 | C6 | O3 | 111.3° | 109.5° |
| C7 | C6 | H10 | 109.6° | 109.6° |
| C6 | C7 | H12 | 107.9° | 109.5° |
| C8 | C7 | H12 | 107.9° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| O3 | C6 | H10 | 110.7° | 109.6° |
| C6 | O3 | H11 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 110.6° |
| H30 | C18 | H31 | 109.5° | 109.4° |
| H30 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C19 | N3 | C17 | 178.2° | 179.9° |
| O15 | C19 | N3 | C20 | 178.7° | 179.7° |
| O15 | C19 | C17 | C18 | 1.1° | 0.0° |
| O15 | C19 | C17 | C16 | 179.8° | 180.0° |
| O15 | C19 | N3 | H33 | 1.3° | 0.1° |
| C19 | N3 | C20 | H33 | 180.0° | 179.8° |
| C19 | N3 | C20 | O16 | 179.5° | 180.0° |
| C19 | N3 | C20 | N2 | 1.0° | 0.5° |
| N3 | C19 | C17 | C18 | 179.2° | 180.0° |
| N3 | C19 | C17 | C16 | 2.0° | 0.0° |
| C20 | N3 | C19 | C17 | 0.5° | 0.2° |
| N3 | C20 | O16 | N2 | 179.5° | 179.5° |
| N3 | C20 | N2 | C16 | 0.9° | 0.5° |
| N3 | C20 | N2 | C15 | 178.2° | 179.7° |
| C19 | C17 | C18 | C16 | 178.7° | 180.0° |
| C19 | C17 | C16 | N2 | 2.1° | 0.0° |
| C19 | C17 | C16 | H29 | 177.9° | 180.0° |
| C19 | C17 | C18 | H30 | 180.0° | 90.0° |
| C19 | C17 | C18 | H31 | 60.0° | 30.0° |
| C19 | C17 | C18 | H32 | 60.0° | 150.0° |
| C17 | C19 | N3 | H33 | 179.5° | 180.0° |
| O16 | C20 | N2 | C16 | 179.6° | 180.0° |
| O16 | C20 | N2 | C15 | 2.3° | 0.3° |
| O16 | C20 | N3 | H33 | 0.5° | 0.2° |
| C20 | N2 | C16 | C17 | 0.7° | 0.2° |
| C20 | N2 | C16 | C15 | 177.3° | 179.7° |
| C20 | N2 | C15 | O14 | 122.3° | 53.3° |
| C20 | N2 | C15 | C14 | 118.3° | 62.1° |
| C20 | N2 | C15 | H28 | 5.0° | 175.6° |
| C20 | N2 | C16 | H29 | 179.3° | 179.8° |
| N2 | C20 | N3 | H33 | 179.0° | 179.7° |
| C18 | C17 | C16 | N2 | 179.2° | 180.0° |
| C18 | C17 | C16 | H29 | 0.8° | 0.0° |
| C17 | C18 | H30 | H31 | 120.0° | 120.0° |
| C17 | C18 | H30 | H32 | 120.0° | 120.0° |
| C17 | C18 | H31 | H32 | 120.0° | 120.1° |
| C17 | C16 | N2 | H29 | 180.0° | 180.0° |
| C17 | C16 | N2 | C15 | 176.6° | 180.0° |
| C16 | C17 | C18 | H30 | 1.3° | 90.1° |
| C16 | C17 | C18 | H31 | 118.7° | 150.0° |
| C16 | C17 | C18 | H32 | 121.3° | 30.0° |
| C16 | N2 | C15 | O14 | 54.9° | 126.5° |
| C16 | N2 | C15 | C14 | 64.4° | 118.2° |
| C16 | N2 | C15 | H28 | 172.3° | 4.2° |
| N2 | C15 | O14 | C14 | 125.5° | 118.8° |
| N2 | C15 | O14 | H28 | 117.5° | 122.3° |
| N2 | C15 | C14 | H28 | 123.7° | 122.4° |
| N2 | C15 | O14 | C12 | 144.9° | 159.4° |
| N2 | C15 | C14 | C13 | 149.7° | 142.8° |
| N2 | C15 | C14 | H26 | 91.7° | 24.2° |
| N2 | C15 | C14 | H27 | 31.1° | 98.5° |
| C15 | N2 | C16 | H29 | 3.4° | 0.0° |
| O14 | C15 | C14 | H28 | 117.5° | 118.8° |
| O14 | C15 | C14 | C13 | 30.9° | 24.0° |
| C15 | O14 | C12 | C13 | 1.0° | 40.5° |
| C15 | O14 | C12 | C11 | 121.6° | 159.3° |
| C15 | O14 | C12 | H23 | 117.7° | 78.4° |
| O14 | C15 | C14 | H26 | 149.5° | 94.6° |
| O14 | C15 | C14 | H27 | 87.7° | 142.7° |
| C14 | C15 | O14 | C12 | 19.4° | 40.5° |
| C15 | C14 | C13 | H26 | 118.6° | 118.6° |
| C15 | C14 | C13 | H27 | 118.6° | 118.7° |
| C15 | C14 | C13 | C12 | 31.1° | 0.0° |
| C15 | C14 | C13 | O13 | 84.1° | 118.7° |
| C15 | C14 | C13 | H24 | 152.8° | 118.7° |
| C15 | C14 | H26 | H27 | 123.9° | 122.7° |
| O8 | P1 | O7 | O9 | 108.7° | 120.0° |
| O8 | P1 | O7 | O6 | 119.9° | 120.0° |
| O8 | P1 | O9 | O6 | 108.6° | 120.0° |
| O8 | P1 | O9 | P2 | 170.9° | 45.0° |
| O8 | P1 | O6 | C10 | 153.6° | 55.1° |
| O8 | P1 | O7 | H19 | 0.0° | 179.9° |
| O14 | C12 | C13 | C14 | 20.7° | 24.0° |
| O14 | C12 | C13 | C11 | 122.1° | 118.8° |
| O14 | C12 | C13 | H23 | 117.7° | 118.9° |
| O14 | C12 | C11 | H23 | 121.4° | 122.3° |
| O14 | C12 | C13 | O13 | 91.9° | 142.7° |
| O14 | C12 | C11 | O12 | 69.7° | 69.7° |
| O14 | C12 | C11 | H21 | 49.6° | 50.4° |
| O14 | C12 | C11 | H22 | 171.0° | 170.4° |
| O14 | C12 | C13 | H24 | 142.6° | 94.8° |
| C12 | O14 | C15 | H28 | 97.6° | 78.3° |
| C14 | C13 | C12 | O13 | 112.6° | 118.7° |
| C14 | C13 | C12 | H24 | 121.8° | 118.8° |
| C14 | C13 | C12 | C11 | 101.4° | 142.8° |
| C14 | C13 | O13 | H24 | 122.3° | 122.7° |
| C14 | C13 | C12 | H23 | 138.4° | 94.9° |
| C14 | C13 | O13 | H25 | 180.0° | 65.3° |
| C13 | C14 | H26 | H27 | 123.9° | 122.7° |
| C13 | C14 | C15 | H28 | 86.6° | 94.8° |
| O7 | P1 | O9 | O6 | 131.3° | 120.0° |
| O7 | P1 | O9 | P2 | 50.7° | 75.0° |
| O7 | P1 | O6 | C10 | 80.4° | 64.9° |
| P1 | O9 | P2 | O12 | 121.7° | 164.9° |
| O9 | P1 | O6 | C10 | 49.5° | 175.0° |
| P1 | O9 | P2 | O10 | 125.0° | 44.9° |
| P1 | O9 | P2 | O11 | 1.7° | 75.0° |
| O9 | P1 | O7 | H19 | 108.7° | 60.0° |
| O6 | P1 | O9 | P2 | 80.5° | 165.0° |
| P1 | O6 | C10 | C9 | 164.4° | 149.9° |
| P1 | O6 | C10 | O4 | 74.0° | 90.1° |
| P1 | O6 | C10 | H18 | 46.9° | 29.9° |
| O6 | P1 | O7 | H19 | 119.9° | 60.1° |
| O9 | P2 | O12 | C11 | 160.1° | 175.0° |
| O9 | P2 | O12 | O10 | 118.0° | 120.0° |
| O9 | P2 | O12 | O11 | 119.7° | 120.0° |
| O9 | P2 | O10 | O11 | 126.7° | 119.9° |
| O9 | P2 | O11 | H20 | 127.2° | 60.0° |
| C13 | C12 | C11 | H23 | 120.1° | 122.3° |
| C12 | C13 | O13 | H24 | 124.7° | 122.6° |
| C13 | C12 | C11 | O12 | 48.8° | 175.0° |
| C13 | C12 | C11 | H21 | 168.1° | 65.0° |
| C13 | C12 | C11 | H22 | 70.5° | 55.1° |
| C12 | C13 | O13 | H25 | 67.0° | 180.0° |
| C12 | C13 | C14 | H26 | 149.7° | 118.6° |
| C12 | C13 | C14 | H27 | 87.6° | 118.7° |
| C11 | C12 | C13 | O13 | 146.0° | 98.5° |
| C12 | C11 | O12 | H21 | 119.3° | 120.1° |
| C12 | C11 | O12 | H22 | 119.3° | 119.9° |
| C12 | C11 | O12 | P2 | 152.0° | 180.0° |
| C12 | C11 | H21 | H22 | 122.0° | 120.0° |
| C11 | C12 | C13 | H24 | 20.5° | 24.0° |
| O13 | C13 | C12 | H23 | 25.8° | 23.8° |
| O13 | C13 | C14 | H26 | 34.5° | 122.8° |
| O13 | C13 | C14 | H27 | 157.3° | 0.0° |
| C11 | O12 | P2 | O10 | 42.1° | 55.1° |
| C11 | O12 | P2 | O11 | 80.2° | 65.0° |
| O12 | C11 | H21 | H22 | 122.0° | 120.0° |
| O12 | C11 | C12 | H23 | 168.9° | 52.7° |
| O12 | P2 | O10 | O11 | 122.6° | 120.0° |
| O12 | P2 | O11 | H20 | 119.1° | 60.0° |
| P2 | O12 | C11 | H21 | 88.7° | 59.9° |
| P2 | O12 | C11 | H22 | 32.7° | 60.1° |
| O6 | C10 | C9 | O5 | 59.6° | 57.5° |
| O6 | C10 | C9 | O4 | 123.0° | 120.0° |
| O6 | C10 | C9 | H18 | 118.1° | 120.0° |
| O6 | C10 | O4 | H18 | 120.9° | 119.9° |
| O6 | C10 | C9 | C5 | 65.9° | 62.4° |
| O6 | C10 | O4 | C7 | 67.3° | 58.9° |
| O6 | C10 | C9 | H16 | 176.9° | 177.8° |
| O1 | C1 | C2 | C3 | 19.8° | 0.1° |
| O1 | C1 | C2 | N1 | 178.7° | 179.8° |
| O1 | C1 | N1 | C5 | 10.3° | 0.0° |
| O1 | C1 | C2 | H1 | 140.2° | 120.0° |
| O1 | C1 | C2 | H2 | 100.6° | 120.0° |
| O1 | C1 | N1 | H8 | 169.6° | 180.0° |
| O10 | P2 | O11 | H20 | 0.0° | 180.0° |
| C4 | C3 | O2 | C2 | 122.3° | 120.0° |
| C4 | C3 | O2 | H3 | 117.1° | 120.0° |
| C4 | C3 | C2 | H3 | 121.5° | 120.1° |
| C4 | C3 | C2 | C1 | 154.1° | 175.0° |
| C4 | C3 | C2 | H1 | 85.6° | 55.0° |
| C4 | C3 | C2 | H2 | 33.7° | 65.0° |
| C4 | C3 | O2 | H4 | 180.0° | 60.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| O2 | C3 | C2 | H3 | 121.2° | 119.9° |
| O2 | C3 | C2 | C1 | 88.6° | 65.1° |
| O2 | C3 | C2 | H1 | 31.8° | 175.0° |
| O2 | C3 | C2 | H2 | 151.0° | 55.0° |
| O2 | C3 | C4 | H5 | 180.0° | 180.0° |
| O2 | C3 | C4 | H6 | 60.0° | 60.0° |
| O2 | C3 | C4 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | H1 | 120.4° | 119.9° |
| C3 | C2 | C1 | H2 | 120.4° | 120.0° |
| C3 | C2 | C1 | N1 | 161.5° | 179.7° |
| C3 | C2 | H1 | H2 | 118.8° | 120.0° |
| C2 | C3 | O2 | H4 | 57.7° | 180.0° |
| C2 | C3 | C4 | H5 | 59.3° | 60.0° |
| C2 | C3 | C4 | H6 | 60.7° | 59.9° |
| C2 | C3 | C4 | H7 | 179.3° | 180.0° |
| O5 | C9 | C10 | C5 | 125.5° | 120.0° |
| O5 | C9 | C10 | H16 | 117.3° | 120.2° |
| O5 | C9 | C10 | O4 | 177.4° | 177.6° |
| O5 | C9 | C5 | H16 | 119.3° | 120.1° |
| O5 | C9 | C5 | N1 | 54.7° | 63.1° |
| O5 | C9 | C5 | C6 | 173.9° | 177.0° |
| O5 | C9 | C5 | H9 | 67.8° | 57.0° |
| O5 | C9 | C10 | H18 | 58.5° | 62.5° |
| C2 | C1 | N1 | C5 | 168.4° | 179.8° |
| C1 | C2 | H1 | H2 | 118.8° | 120.0° |
| C1 | C2 | C3 | H3 | 32.6° | 54.9° |
| C2 | C1 | N1 | H8 | 11.6° | 0.2° |
| C1 | N1 | C5 | C9 | 103.7° | 84.9° |
| C1 | N1 | C5 | H8 | 180.0° | 180.0° |
| C1 | N1 | C5 | C6 | 140.2° | 155.5° |
| N1 | C1 | C2 | H1 | 41.1° | 59.8° |
| N1 | C1 | C2 | H2 | 78.1° | 60.2° |
| C1 | N1 | C5 | H9 | 18.5° | 35.2° |
| C9 | C10 | O4 | H18 | 118.4° | 120.0° |
| C10 | C9 | C5 | H16 | 117.2° | 119.9° |
| C10 | C9 | C5 | N1 | 178.2° | 176.9° |
| C10 | C9 | C5 | C6 | 62.6° | 57.0° |
| C9 | C10 | O4 | C7 | 53.4° | 61.2° |
| C10 | C9 | C5 | H9 | 55.7° | 63.0° |
| C10 | C9 | O5 | H17 | 180.0° | 60.3° |
| O4 | C10 | C9 | C5 | 57.1° | 57.6° |
| C10 | O4 | C7 | C6 | 56.2° | 61.1° |
| C10 | O4 | C7 | C8 | 179.1° | 178.9° |
| C10 | O4 | C7 | H12 | 61.8° | 58.8° |
| O4 | C10 | C9 | H16 | 60.0° | 62.2° |
| C9 | C5 | N1 | C6 | 116.1° | 119.6° |
| C9 | C5 | N1 | H9 | 122.2° | 120.1° |
| C9 | C5 | C6 | H9 | 118.5° | 119.9° |
| C9 | C5 | C6 | C7 | 62.8° | 57.0° |
| C9 | C5 | C6 | O3 | 176.9° | 176.9° |
| C9 | C5 | N1 | H8 | 76.4° | 95.0° |
| C9 | C5 | C6 | H10 | 56.2° | 63.0° |
| C5 | C9 | O5 | H17 | 55.3° | 180.0° |
| C5 | C9 | C10 | H18 | 176.0° | 177.6° |
| N1 | C5 | C6 | H9 | 122.3° | 120.2° |
| N1 | C5 | C6 | C7 | 177.9° | 176.9° |
| N1 | C5 | C6 | O3 | 57.7° | 63.2° |
| N1 | C5 | C6 | H10 | 63.1° | 56.9° |
| N1 | C5 | C9 | H16 | 64.5° | 57.0° |
| C5 | C6 | C7 | O4 | 60.1° | 57.6° |
| C5 | C6 | C7 | O3 | 118.3° | 119.9° |
| C5 | C6 | C7 | H10 | 118.9° | 119.9° |
| C5 | C6 | C7 | C8 | 177.9° | 177.6° |
| C5 | C6 | O3 | H10 | 120.0° | 120.1° |
| C6 | C5 | N1 | H8 | 39.8° | 24.6° |
| C5 | C6 | O3 | H11 | 180.0° | 180.0° |
| C5 | C6 | C7 | H12 | 58.5° | 62.4° |
| C6 | C5 | C9 | H16 | 54.7° | 62.9° |
| O4 | C7 | C6 | C8 | 122.0° | 120.0° |
| O4 | C7 | C6 | H12 | 118.6° | 119.9° |
| O4 | C7 | C8 | H12 | 118.0° | 120.0° |
| O4 | C7 | C6 | O3 | 178.4° | 177.5° |
| O4 | C7 | C6 | H10 | 58.8° | 62.3° |
| O4 | C7 | C8 | H13 | 180.0° | 59.9° |
| O4 | C7 | C8 | H14 | 60.0° | 60.1° |
| O4 | C7 | C8 | H15 | 60.0° | 180.0° |
| C7 | O4 | C10 | H18 | 171.8° | 178.8° |
| C6 | C7 | C8 | H12 | 119.4° | 120.1° |
| C7 | C6 | O3 | H10 | 122.2° | 120.2° |
| C7 | C6 | C5 | H9 | 55.7° | 62.9° |
| C7 | C6 | O3 | H11 | 62.1° | 60.3° |
| C6 | C7 | C8 | H13 | 57.5° | 60.0° |
| C6 | C7 | C8 | H14 | 62.6° | 180.0° |
| C6 | C7 | C8 | H15 | 177.4° | 60.1° |
| C8 | C7 | C6 | O3 | 59.7° | 62.5° |
| C8 | C7 | C6 | H10 | 63.2° | 57.7° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.0° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| O3 | C6 | C5 | H9 | 64.6° | 57.0° |
| O3 | C6 | C7 | H12 | 59.8° | 57.5° |
| H1 | C2 | C3 | H3 | 152.9° | 65.0° |
| H2 | C2 | C3 | H3 | 87.8° | 174.9° |
| H3 | C3 | O2 | H4 | 62.9° | 60.0° |
| H3 | C3 | C4 | H5 | 62.2° | 60.0° |
| H3 | C3 | C4 | H6 | 177.8° | 180.0° |
| H3 | C3 | C4 | H7 | 57.8° | 60.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | N1 | C5 | H9 | 161.4° | 144.8° |
| H9 | C5 | C6 | H10 | 174.7° | 177.1° |
| H9 | C5 | C9 | H16 | 172.9° | 177.1° |
| H10 | C6 | O3 | H11 | 60.1° | 59.9° |
| H10 | C6 | C7 | H12 | 177.4° | 177.7° |
| H12 | C7 | C8 | H13 | 62.0° | 179.9° |
| H12 | C7 | C8 | H14 | 178.0° | 59.9° |
| H12 | C7 | C8 | H15 | 58.0° | 60.0° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| H16 | C9 | O5 | H17 | 63.3° | 60.0° |
| H16 | C9 | C10 | H18 | 58.8° | 57.8° |
| H21 | C11 | C12 | H23 | 71.8° | 172.7° |
| H22 | C11 | C12 | H23 | 49.6° | 67.2° |
| H23 | C12 | C13 | H24 | 99.7° | 146.3° |
| H24 | C13 | O13 | H25 | 57.7° | 57.4° |
| H24 | C13 | C14 | H26 | 88.6° | 0.1° |
| H24 | C13 | C14 | H27 | 34.1° | 122.6° |
| H26 | C14 | C15 | H28 | 32.0° | 146.5° |
| H27 | C14 | C15 | H28 | 154.8° | 23.9° |
| H30 | C18 | H31 | H32 | 120.0° | 120.0° |
