OW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.31Å | 1.32Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C11 | C22 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| C22 | C12 | sing | 1.53Å | 1.50Å | |
| C22 | C24 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C10 | N3 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | C8 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C13 | N3 | sing | 1.48Å | 1.47Å | |
| N3 | C14 | sing | 1.35Å | 1.35Å | |
| O1 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | N1 | sing | 1.34Å | 1.34Å | |
| C7 | N1 | sing | 1.47Å | 1.45Å | |
| O3 | C14 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C15 | C18 | sing | 1.53Å | 1.55Å | |
| C15 | N4 | sing | 1.47Å | 1.45Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N4 | C16 | sing | 1.35Å | 1.32Å | |
| O4 | C16 | doub | 1.21Å | 1.21Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| F1 | C17 | sing | 1.40Å | 1.32Å | |
| F2 | C17 | sing | 1.40Å | 1.32Å | |
| C17 | F3 | sing | 1.40Å | 1.32Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | 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 | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 123.6° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H3 | 118.2° | 120.0° |
| C2 | C3 | N2 | 111.7° | 109.5° |
| C2 | C3 | C4 | 108.0° | 109.5° |
| C2 | C3 | H4 | 108.4° | 109.5° |
| C3 | C2 | H3 | 118.2° | 120.0° |
| C23 | C22 | C11 | 118.2° | 117.5° |
| C23 | C22 | C12 | 114.8° | 117.4° |
| C23 | C22 | C24 | 112.9° | 115.5° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.5° |
| C22 | C23 | H32 | 109.4° | 109.5° |
| N2 | C3 | C4 | 111.2° | 109.5° |
| C3 | N2 | C9 | 123.7° | 120.0° |
| N2 | C3 | H4 | 109.2° | 109.4° |
| C3 | N2 | H13 | 118.1° | 120.0° |
| C3 | C4 | C5 | 114.1° | 109.5° |
| C4 | C3 | H4 | 108.3° | 109.5° |
| C3 | C4 | H5 | 108.3° | 109.5° |
| C3 | C4 | H6 | 108.3° | 109.5° |
| C22 | C11 | C12 | 59.4° | 59.7° |
| C22 | C11 | C10 | 121.0° | 118.1° |
| C11 | C22 | C12 | 60.6° | 60.6° |
| C11 | C22 | C24 | 118.5° | 117.4° |
| C22 | C11 | H15 | 118.0° | 119.5° |
| C12 | C11 | C10 | 107.9° | 105.0° |
| C11 | C12 | C22 | 60.1° | 59.7° |
| C11 | C12 | C13 | 108.1° | 104.9° |
| C12 | C11 | H15 | 117.9° | 121.8° |
| C11 | C12 | H16 | 117.9° | 121.8° |
| C11 | C10 | C9 | 111.1° | 110.4° |
| C11 | C10 | N3 | 104.7° | 104.6° |
| C11 | C10 | H14 | 109.9° | 110.5° |
| C10 | C11 | H15 | 117.7° | 118.2° |
| N2 | C9 | O2 | 122.9° | 120.0° |
| N2 | C9 | C10 | 116.1° | 120.0° |
| C9 | N2 | H13 | 118.1° | 120.0° |
| C12 | C22 | C24 | 122.5° | 117.4° |
| C22 | C12 | C13 | 120.0° | 118.2° |
| C22 | C12 | H16 | 118.3° | 120.3° |
| C22 | C24 | H33 | 109.5° | 109.5° |
| C22 | C24 | H34 | 109.4° | 109.4° |
| C22 | C24 | H35 | 109.5° | 109.5° |
| C4 | C5 | C6 | 117.4° | 110.5° |
| C4 | C5 | C8 | 111.6° | 110.5° |
| C5 | C4 | H5 | 108.3° | 109.5° |
| C5 | C4 | H6 | 108.3° | 109.4° |
| C4 | C5 | H7 | 107.9° | 110.4° |
| O2 | C9 | C10 | 120.9° | 120.0° |
| C9 | C10 | N3 | 110.4° | 110.4° |
| C9 | C10 | H14 | 109.9° | 110.4° |
| C12 | C13 | N3 | 104.7° | 104.6° |
| C13 | C12 | H16 | 117.9° | 117.6° |
| C12 | C13 | H17 | 110.7° | 110.5° |
| C12 | C13 | H18 | 110.6° | 110.4° |
| C10 | N3 | C13 | 113.5° | 104.3° |
| C10 | N3 | C14 | 120.6° | 127.8° |
| N3 | C10 | H14 | 110.8° | 110.4° |
| C6 | C5 | C8 | 103.4° | 104.2° |
| C5 | C6 | C7 | 105.9° | 101.8° |
| C6 | C5 | H7 | 108.0° | 110.5° |
| C5 | C6 | H8 | 110.4° | 111.0° |
| C5 | C6 | H9 | 110.3° | 111.0° |
| C5 | C8 | O1 | 124.8° | 125.0° |
| C5 | C8 | N1 | 109.1° | 110.1° |
| C8 | C5 | H7 | 108.2° | 110.6° |
| C6 | C7 | N1 | 103.2° | 105.5° |
| C7 | C6 | H8 | 110.4° | 110.9° |
| C7 | C6 | H9 | 110.3° | 111.0° |
| C6 | C7 | H10 | 111.0° | 110.3° |
| C6 | C7 | H11 | 111.0° | 110.2° |
| C13 | N3 | C14 | 125.9° | 127.9° |
| N3 | C13 | H17 | 110.6° | 110.4° |
| N3 | C13 | H18 | 110.7° | 110.4° |
| N3 | C14 | O3 | 121.5° | 120.1° |
| N3 | C14 | C15 | 118.9° | 119.9° |
| O1 | C8 | N1 | 126.1° | 124.9° |
| C8 | N1 | C7 | 114.2° | 111.3° |
| C8 | N1 | H12 | 122.9° | 124.4° |
| N1 | C7 | H10 | 111.0° | 110.3° |
| N1 | C7 | H11 | 111.0° | 110.3° |
| C7 | N1 | H12 | 122.9° | 124.3° |
| O3 | C14 | C15 | 119.5° | 120.0° |
| C14 | C15 | C18 | 113.7° | 109.5° |
| C14 | C15 | N4 | 108.5° | 109.5° |
| C14 | C15 | H19 | 107.1° | 109.5° |
| C21 | C18 | C15 | 109.0° | 109.5° |
| C21 | C18 | C20 | 108.5° | 109.5° |
| C21 | C18 | C19 | 109.2° | 109.5° |
| C18 | C21 | H27 | 109.5° | 109.5° |
| C18 | C21 | H28 | 109.5° | 109.4° |
| C18 | C21 | H29 | 109.5° | 109.5° |
| C18 | C15 | N4 | 112.4° | 109.4° |
| C15 | C18 | C20 | 113.3° | 109.4° |
| C15 | C18 | C19 | 108.7° | 109.5° |
| C18 | C15 | H19 | 106.9° | 109.5° |
| C15 | N4 | C16 | 121.5° | 120.0° |
| N4 | C15 | H19 | 108.0° | 109.5° |
| C15 | N4 | H20 | 119.3° | 120.0° |
| C20 | C18 | C19 | 108.0° | 109.5° |
| C18 | C20 | H24 | 109.5° | 109.4° |
| C18 | C20 | H25 | 109.5° | 109.4° |
| C18 | C20 | H26 | 109.4° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.4° |
| C18 | C19 | H23 | 109.5° | 109.5° |
| N4 | C16 | O4 | 124.0° | 120.0° |
| N4 | C16 | C17 | 117.2° | 120.0° |
| C16 | N4 | H20 | 119.2° | 120.1° |
| O4 | C16 | C17 | 118.8° | 120.0° |
| C16 | C17 | F1 | 113.7° | 109.5° |
| C16 | C17 | F2 | 110.4° | 109.5° |
| C16 | C17 | F3 | 110.6° | 109.4° |
| F1 | C17 | F2 | 106.2° | 109.5° |
| F1 | C17 | F3 | 106.7° | 109.5° |
| F2 | C17 | F3 | 109.0° | 109.4° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| H8 | C6 | H9 | 109.5° | 110.9° |
| H10 | C7 | H11 | 109.5° | 110.3° |
| H17 | C13 | H18 | 109.5° | 110.4° |
| H21 | C19 | H22 | 109.5° | 109.4° |
| H21 | C19 | H23 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H24 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.4° | 109.5° |
| H30 | C23 | H32 | 109.5° | 109.4° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H33 | C24 | H34 | 109.5° | 109.5° |
| H33 | C24 | H35 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | N2 | 125.7° | 5.0° |
| C1 | C2 | C3 | C4 | 111.7° | 125.0° |
| C2 | C1 | H1 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | H4 | 5.4° | 115.0° |
| C2 | C3 | N2 | C4 | 120.7° | 120.0° |
| C2 | C3 | N2 | H4 | 119.9° | 120.0° |
| C2 | C3 | C4 | H4 | 117.1° | 120.0° |
| C2 | C3 | N2 | C9 | 120.3° | 89.3° |
| C2 | C3 | C4 | C5 | 173.0° | 175.0° |
| C3 | C2 | C1 | H1 | 0.0° | 0.0° |
| C2 | C3 | C4 | H5 | 66.3° | 65.0° |
| C2 | C3 | C4 | H6 | 52.3° | 55.0° |
| C2 | C3 | N2 | H13 | 59.7° | 90.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C23 | C22 | C11 | C12 | 104.1° | 107.6° |
| C23 | C22 | C11 | C24 | 142.6° | 144.7° |
| C23 | C22 | C11 | C10 | 162.4° | 160.8° |
| C23 | C22 | C12 | C24 | 143.4° | 144.7° |
| C23 | C22 | C12 | C13 | 155.7° | 160.8° |
| C23 | C22 | C11 | H15 | 3.4° | 4.1° |
| C23 | C22 | C12 | H16 | 2.0° | 3.8° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H32 | 120.0° | 120.0° |
| C22 | C23 | H31 | H32 | 120.0° | 120.0° |
| C23 | C22 | C24 | H33 | 180.0° | 154.6° |
| C23 | C22 | C24 | H34 | 60.0° | 34.6° |
| C23 | C22 | C24 | H35 | 60.0° | 85.4° |
| N2 | C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | N2 | C9 | H13 | 180.0° | 179.9° |
| N2 | C3 | C4 | C5 | 64.1° | 65.0° |
| C3 | N2 | C9 | O2 | 1.9° | 0.1° |
| C3 | N2 | C9 | C10 | 179.5° | 180.0° |
| N2 | C3 | C4 | H5 | 56.6° | 55.0° |
| N2 | C3 | C4 | H6 | 175.2° | 175.0° |
| N2 | C3 | C2 | H3 | 54.3° | 175.0° |
| C4 | C3 | N2 | C9 | 119.0° | 150.7° |
| C3 | C4 | C5 | H5 | 120.7° | 120.0° |
| C3 | C4 | C5 | H6 | 120.7° | 120.0° |
| C3 | C4 | C5 | C6 | 66.6° | 65.1° |
| C3 | C4 | C5 | C8 | 174.3° | 179.9° |
| C3 | C4 | H5 | H6 | 117.9° | 120.0° |
| C3 | C4 | C5 | H7 | 55.6° | 57.5° |
| C4 | C3 | N2 | H13 | 61.0° | 29.3° |
| C4 | C3 | C2 | H3 | 68.3° | 55.0° |
| C22 | C11 | C12 | C10 | 116.0° | 114.2° |
| C22 | C11 | C12 | H15 | 107.7° | 108.0° |
| C22 | C11 | C10 | H15 | 159.1° | 157.0° |
| C11 | C22 | C12 | C24 | 106.9° | 107.6° |
| C22 | C11 | C10 | C9 | 176.6° | 158.2° |
| C22 | C11 | C12 | C13 | 114.8° | 114.2° |
| C22 | C11 | C10 | N3 | 57.5° | 39.5° |
| C22 | C11 | C10 | H14 | 61.6° | 79.3° |
| C22 | C11 | C12 | H16 | 108.3° | 109.0° |
| C11 | C22 | C23 | H30 | 180.0° | 60.0° |
| C11 | C22 | C23 | H31 | 60.0° | 180.0° |
| C11 | C22 | C23 | H32 | 60.0° | 60.0° |
| C11 | C22 | C24 | H33 | 35.6° | 60.0° |
| C11 | C22 | C24 | H34 | 155.6° | 180.0° |
| C11 | C22 | C24 | H35 | 84.4° | 60.0° |
| C12 | C11 | C10 | H15 | 136.4° | 139.7° |
| C12 | C11 | C10 | C9 | 112.1° | 94.9° |
| C11 | C12 | C13 | H16 | 136.9° | 139.0° |
| C12 | C11 | C10 | N3 | 7.0° | 23.8° |
| C11 | C12 | C13 | N3 | 5.0° | 23.9° |
| C12 | C11 | C10 | H14 | 126.1° | 142.6° |
| C11 | C12 | C13 | H17 | 114.2° | 94.9° |
| C11 | C12 | C13 | H18 | 124.3° | 142.7° |
| C11 | C10 | C9 | N2 | 109.1° | 83.3° |
| C10 | C11 | C22 | C24 | 19.8° | 16.1° |
| C11 | C10 | C9 | O2 | 72.2° | 96.6° |
| C11 | C10 | C9 | N3 | 115.7° | 115.1° |
| C11 | C10 | C9 | H14 | 121.8° | 122.5° |
| C10 | C11 | C12 | C13 | 1.3° | 0.0° |
| C11 | C10 | N3 | H14 | 118.5° | 118.9° |
| C11 | C10 | N3 | C13 | 10.9° | 39.6° |
| C11 | C10 | N3 | C14 | 169.6° | 140.4° |
| C10 | C11 | C12 | H16 | 135.7° | 136.9° |
| N2 | C9 | O2 | C10 | 178.6° | 179.9° |
| N2 | C9 | C10 | N3 | 135.2° | 161.5° |
| C9 | N2 | C3 | H4 | 0.4° | 30.7° |
| N2 | C9 | C10 | H14 | 12.7° | 39.2° |
| C22 | C12 | C13 | H16 | 157.7° | 157.6° |
| C22 | C12 | C13 | N3 | 60.3° | 39.4° |
| C22 | C12 | C13 | H17 | 179.6° | 158.2° |
| C22 | C12 | C13 | H18 | 58.9° | 79.3° |
| C12 | C22 | C23 | H30 | 111.5° | 129.3° |
| C12 | C22 | C23 | H31 | 8.5° | 110.7° |
| C12 | C22 | C23 | H32 | 128.5° | 9.3° |
| C12 | C22 | C24 | H33 | 36.0° | 9.3° |
| C12 | C22 | C24 | H34 | 84.0° | 110.8° |
| C12 | C22 | C24 | H35 | 156.0° | 129.2° |
| C24 | C22 | C12 | C13 | 12.2° | 16.1° |
| C24 | C22 | C11 | H15 | 139.2° | 140.6° |
| C24 | C22 | C12 | H16 | 145.4° | 140.9° |
| C24 | C22 | C23 | H30 | 35.5° | 85.4° |
| C24 | C22 | C23 | H31 | 155.4° | 34.6° |
| C24 | C22 | C23 | H32 | 84.6° | 154.6° |
| C22 | C24 | H33 | H34 | 120.0° | 120.0° |
| C22 | C24 | H33 | H35 | 120.0° | 120.0° |
| C22 | C24 | H34 | H35 | 120.0° | 120.0° |
| C4 | C5 | C6 | C8 | 123.3° | 118.7° |
| C4 | C5 | C6 | H7 | 122.2° | 122.5° |
| C4 | C5 | C8 | H7 | 118.5° | 122.6° |
| C4 | C5 | C6 | C7 | 141.6° | 143.4° |
| C4 | C5 | C8 | O1 | 44.2° | 45.1° |
| C4 | C5 | C8 | N1 | 136.5° | 134.9° |
| C5 | C4 | C3 | H4 | 55.9° | 54.9° |
| C5 | C4 | H5 | H6 | 117.9° | 120.0° |
| C4 | C5 | C6 | H8 | 22.1° | 25.4° |
| C4 | C5 | C6 | H9 | 99.0° | 98.4° |
| O2 | C9 | C10 | N3 | 43.5° | 18.6° |
| O2 | C9 | N2 | H13 | 178.1° | 180.0° |
| O2 | C9 | C10 | H14 | 165.9° | 140.9° |
| C9 | C10 | N3 | H14 | 121.9° | 122.3° |
| C9 | C10 | N3 | C13 | 108.7° | 79.2° |
| C9 | C10 | N3 | C14 | 70.8° | 100.8° |
| C10 | C9 | N2 | H13 | 0.5° | 0.1° |
| C9 | C10 | C11 | H15 | 24.3° | 44.8° |
| C12 | C13 | N3 | C10 | 10.1° | 39.6° |
| C12 | C13 | N3 | H17 | 119.3° | 118.9° |
| C12 | C13 | N3 | H18 | 119.3° | 118.8° |
| C12 | C13 | N3 | C14 | 170.4° | 140.4° |
| C13 | C12 | C11 | H15 | 137.6° | 137.8° |
| C12 | C13 | H17 | H18 | 122.2° | 122.4° |
| C10 | N3 | C13 | C14 | 179.5° | 180.0° |
| C10 | N3 | C14 | O3 | 2.0° | 4.1° |
| C10 | N3 | C14 | C15 | 179.3° | 175.9° |
| N3 | C10 | C11 | H15 | 143.4° | 163.5° |
| C10 | N3 | C13 | H17 | 109.2° | 79.2° |
| C10 | N3 | C13 | H18 | 129.3° | 158.4° |
| C6 | C5 | C8 | H7 | 114.4° | 118.7° |
| C5 | C6 | C7 | H8 | 119.5° | 118.1° |
| C5 | C6 | C7 | H9 | 119.4° | 118.1° |
| C6 | C5 | C8 | O1 | 171.3° | 163.8° |
| C6 | C5 | C8 | N1 | 9.4° | 16.2° |
| C5 | C6 | C7 | N1 | 20.2° | 25.4° |
| C6 | C5 | C4 | H5 | 172.7° | 174.9° |
| C6 | C5 | C4 | H6 | 54.1° | 54.9° |
| C5 | C6 | H8 | H9 | 121.6° | 123.8° |
| C5 | C6 | C7 | H10 | 139.2° | 144.4° |
| C5 | C6 | C7 | H11 | 98.8° | 93.6° |
| C8 | C5 | C6 | C7 | 18.2° | 24.8° |
| C5 | C8 | O1 | N1 | 179.1° | 180.0° |
| C5 | C8 | N1 | C7 | 3.8° | 0.4° |
| C8 | C5 | C4 | H5 | 53.6° | 60.1° |
| C8 | C5 | C4 | H6 | 65.0° | 59.9° |
| C8 | C5 | C6 | H8 | 101.2° | 93.3° |
| C8 | C5 | C6 | H9 | 137.7° | 142.9° |
| C5 | C8 | N1 | H12 | 176.2° | 179.6° |
| C6 | C7 | N1 | C8 | 15.4° | 17.0° |
| C6 | C7 | N1 | H10 | 119.0° | 119.0° |
| C6 | C7 | N1 | H11 | 119.0° | 119.0° |
| C7 | C6 | C5 | H7 | 96.3° | 94.0° |
| C7 | C6 | H8 | H9 | 121.6° | 123.8° |
| C6 | C7 | H10 | H11 | 122.9° | 121.9° |
| C6 | C7 | N1 | H12 | 164.6° | 163.1° |
| C13 | N3 | C14 | O3 | 178.6° | 175.9° |
| C13 | N3 | C14 | C15 | 1.2° | 4.1° |
| C13 | N3 | C10 | H14 | 129.3° | 158.5° |
| N3 | C13 | C12 | H16 | 141.9° | 163.0° |
| N3 | C13 | H17 | H18 | 122.2° | 122.3° |
| N3 | C14 | O3 | C15 | 177.4° | 180.0° |
| N3 | C14 | C15 | C18 | 112.4° | 85.9° |
| N3 | C14 | C15 | N4 | 121.8° | 154.1° |
| C14 | N3 | C10 | H14 | 51.2° | 21.5° |
| C14 | N3 | C13 | H17 | 70.3° | 100.8° |
| C14 | N3 | C13 | H18 | 51.2° | 21.6° |
| N3 | C14 | C15 | H19 | 5.4° | 34.1° |
| O1 | C8 | N1 | C7 | 175.4° | 179.5° |
| O1 | C8 | C5 | H7 | 74.3° | 77.5° |
| O1 | C8 | N1 | H12 | 4.6° | 0.4° |
| C8 | N1 | C7 | H12 | 180.0° | 179.9° |
| N1 | C8 | C5 | H7 | 105.0° | 102.5° |
| C8 | N1 | C7 | H10 | 134.4° | 136.0° |
| C8 | N1 | C7 | H11 | 103.5° | 102.0° |
| N1 | C7 | C6 | H8 | 99.3° | 92.7° |
| N1 | C7 | C6 | H9 | 139.6° | 143.5° |
| N1 | C7 | H10 | H11 | 122.9° | 122.0° |
| O3 | C14 | C15 | C18 | 70.2° | 94.1° |
| O3 | C14 | C15 | N4 | 55.7° | 25.9° |
| O3 | C14 | C15 | H19 | 172.0° | 145.9° |
| C14 | C15 | C18 | C21 | 57.5° | 174.4° |
| C14 | C15 | C18 | N4 | 123.8° | 120.0° |
| C14 | C15 | C18 | H19 | 117.9° | 120.0° |
| C14 | C15 | N4 | H19 | 115.8° | 120.1° |
| C14 | C15 | C18 | C20 | 63.4° | 65.6° |
| C14 | C15 | C18 | C19 | 176.5° | 54.4° |
| C14 | C15 | N4 | C16 | 116.3° | 155.0° |
| C14 | C15 | N4 | H20 | 63.7° | 24.9° |
| C21 | C18 | C15 | C20 | 120.9° | 120.0° |
| C21 | C18 | C15 | C19 | 119.0° | 120.0° |
| C21 | C18 | C15 | N4 | 178.7° | 54.4° |
| C21 | C18 | C20 | C19 | 118.3° | 120.0° |
| C21 | C18 | C15 | H19 | 60.4° | 65.6° |
| C21 | C18 | C19 | H21 | 180.0° | 180.0° |
| C21 | C18 | C19 | H22 | 60.0° | 60.1° |
| C21 | C18 | C19 | H23 | 60.0° | 59.9° |
| C21 | C18 | C20 | H24 | 180.0° | 55.9° |
| C21 | C18 | C20 | H25 | 60.0° | 64.1° |
| C21 | C18 | C20 | H26 | 60.0° | 175.9° |
| C18 | C21 | H27 | H28 | 120.0° | 120.0° |
| C18 | C21 | H27 | H29 | 120.0° | 120.0° |
| C18 | C21 | H28 | H29 | 120.0° | 120.0° |
| C18 | C15 | N4 | H19 | 117.6° | 120.0° |
| C15 | C18 | C20 | C19 | 120.5° | 120.0° |
| C18 | C15 | N4 | C16 | 117.1° | 85.1° |
| C18 | C15 | N4 | H20 | 62.9° | 95.0° |
| C15 | C18 | C19 | H21 | 61.2° | 60.0° |
| C15 | C18 | C19 | H22 | 178.8° | 180.0° |
| C15 | C18 | C19 | H23 | 58.9° | 60.0° |
| C15 | C18 | C20 | H24 | 58.8° | 64.1° |
| C15 | C18 | C20 | H25 | 61.2° | 176.0° |
| C15 | C18 | C20 | H26 | 178.8° | 55.9° |
| C15 | C18 | C21 | H27 | 180.0° | 60.0° |
| C15 | C18 | C21 | H28 | 60.0° | 180.0° |
| C15 | C18 | C21 | H29 | 60.0° | 60.0° |
| N4 | C15 | C18 | C20 | 60.4° | 174.5° |
| N4 | C15 | C18 | C19 | 59.7° | 65.6° |
| C15 | N4 | C16 | H20 | 180.0° | 179.9° |
| C15 | N4 | C16 | O4 | 0.1° | 0.1° |
| C15 | N4 | C16 | C17 | 178.5° | 180.0° |
| C20 | C18 | C15 | H19 | 178.7° | 54.5° |
| C20 | C18 | C19 | H21 | 62.2° | 59.9° |
| C20 | C18 | C19 | H22 | 57.8° | 60.0° |
| C20 | C18 | C19 | H23 | 177.8° | 180.0° |
| C18 | C20 | H24 | H25 | 120.0° | 120.0° |
| C18 | C20 | H24 | H26 | 120.0° | 120.0° |
| C18 | C20 | H25 | H26 | 120.0° | 120.0° |
| C20 | C18 | C21 | H27 | 56.2° | 180.0° |
| C20 | C18 | C21 | H28 | 63.8° | 60.0° |
| C20 | C18 | C21 | H29 | 176.2° | 60.0° |
| C19 | C18 | C15 | H19 | 58.6° | 174.4° |
| C18 | C19 | H21 | H22 | 120.0° | 119.9° |
| C18 | C19 | H21 | H23 | 120.0° | 120.0° |
| C18 | C19 | H22 | H23 | 120.0° | 120.0° |
| C19 | C18 | C20 | H24 | 61.7° | 176.0° |
| C19 | C18 | C20 | H25 | 178.3° | 56.0° |
| C19 | C18 | C20 | H26 | 58.3° | 64.1° |
| C19 | C18 | C21 | H27 | 61.3° | 60.0° |
| C19 | C18 | C21 | H28 | 178.7° | 60.1° |
| C19 | C18 | C21 | H29 | 58.7° | 180.0° |
| N4 | C16 | O4 | C17 | 178.6° | 179.9° |
| N4 | C16 | C17 | F1 | 34.5° | 60.1° |
| N4 | C16 | C17 | F2 | 153.6° | 60.0° |
| N4 | C16 | C17 | F3 | 85.6° | 179.9° |
| C16 | N4 | C15 | H19 | 0.6° | 34.9° |
| O4 | C16 | C17 | F1 | 146.9° | 120.0° |
| O4 | C16 | C17 | F2 | 27.7° | 119.9° |
| O4 | C16 | C17 | F3 | 93.1° | 0.0° |
| O4 | C16 | N4 | H20 | 179.9° | 180.0° |
| C16 | C17 | F1 | F2 | 121.6° | 120.1° |
| C16 | C17 | F1 | F3 | 122.2° | 120.0° |
| C16 | C17 | F2 | F3 | 121.8° | 120.0° |
| C17 | C16 | N4 | H20 | 1.5° | 0.1° |
| F1 | C17 | F2 | F3 | 114.6° | 120.0° |
| H1 | C1 | C2 | H3 | 180.0° | 180.0° |
| H4 | C3 | C4 | H5 | 176.6° | 175.0° |
| H4 | C3 | C4 | H6 | 64.8° | 65.0° |
| H4 | C3 | N2 | H13 | 179.6° | 149.2° |
| H4 | C3 | C2 | H3 | 174.6° | 65.0° |
| H5 | C4 | C5 | H7 | 65.1° | 62.5° |
| H6 | C4 | C5 | H7 | 176.3° | 177.5° |
| H7 | C5 | C6 | H8 | 144.3° | 147.9° |
| H7 | C5 | C6 | H9 | 23.1° | 24.1° |
| H8 | C6 | C7 | H10 | 19.7° | 26.3° |
| H8 | C6 | C7 | H11 | 141.8° | 148.3° |
| H9 | C6 | C7 | H10 | 101.4° | 97.4° |
| H9 | C6 | C7 | H11 | 20.6° | 24.5° |
| H10 | C7 | N1 | H12 | 45.6° | 44.0° |
| H11 | C7 | N1 | H12 | 76.5° | 78.0° |
| H14 | C10 | C11 | H15 | 97.5° | 77.7° |
| H15 | C11 | C12 | H16 | 0.7° | 1.0° |
| H16 | C12 | C13 | H17 | 22.7° | 44.2° |
| H16 | C12 | C13 | H18 | 98.8° | 78.3° |
| H19 | C15 | N4 | H20 | 179.4° | 145.0° |
| H21 | C19 | H22 | H23 | 120.0° | 120.1° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
| H30 | C23 | H31 | H32 | 120.0° | 120.0° |
| H33 | C24 | H34 | H35 | 120.0° | 120.0° |
| H2 | C1 | C2 | H3 | 0.0° | 0.3° |
