4WI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | N2 | sing | 1.34Å | 1.39Å | |
| C8 | C5 | sing | 1.51Å | 1.51Å | |
| N2 | C7 | sing | 1.47Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| N5 | C3 | doub | 1.28Å | 1.30Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| F1 | C22 | sing | 1.40Å | 1.35Å | |
| O3 | C13 | doub | 1.21Å | 1.22Å | |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| F3 | C22 | sing | 1.40Å | 1.36Å | |
| C23 | C15 | sing | 1.53Å | 1.52Å | |
| C22 | F2 | sing | 1.40Å | 1.35Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C9 | N3 | sing | 1.49Å | 1.47Å | |
| C9 | C12 | sing | 1.54Å | 1.50Å | |
| C13 | N3 | sing | 1.35Å | 1.37Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| N4 | C21 | sing | 1.35Å | 1.39Å | |
| N4 | C14 | sing | 1.47Å | 1.45Å | |
| C19 | C18 | sing | 1.53Å | 1.49Å | |
| N3 | C10 | sing | 1.48Å | 1.48Å | |
| C21 | O4 | doub | 1.21Å | 1.23Å | |
| C12 | C18 | sing | 1.57Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C20 | sing | 1.53Å | 1.48Å | |
| C18 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.48Å | |
| C3 | H33 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | N2 | 126.7° | 124.9° |
| O1 | C8 | C5 | 125.5° | 125.0° |
| N2 | C8 | C5 | 107.8° | 110.1° |
| C8 | N2 | C7 | 111.3° | 111.3° |
| C8 | N2 | H9 | 124.3° | 124.3° |
| C8 | C5 | C4 | 111.3° | 110.5° |
| C8 | C5 | C6 | 102.0° | 104.2° |
| C8 | C5 | H4 | 110.7° | 110.5° |
| N2 | C7 | C6 | 102.0° | 105.5° |
| N2 | C7 | H7 | 111.3° | 110.2° |
| N2 | C7 | H8 | 111.3° | 110.4° |
| C7 | N2 | H9 | 124.4° | 124.4° |
| C5 | C4 | C2 | 110.4° | 109.5° |
| C4 | C5 | C6 | 111.6° | 110.5° |
| C4 | C5 | H4 | 110.6° | 110.5° |
| C5 | C4 | H2 | 109.2° | 109.4° |
| C5 | C4 | H3 | 109.2° | 109.5° |
| C4 | C2 | C3 | 113.8° | 109.5° |
| C4 | C2 | N1 | 109.4° | 109.4° |
| C2 | C4 | H2 | 109.3° | 109.4° |
| C2 | C4 | H3 | 109.2° | 109.5° |
| C4 | C2 | H32 | 108.7° | 109.5° |
| C5 | C6 | C7 | 102.5° | 101.8° |
| C5 | C6 | H5 | 111.2° | 111.0° |
| C5 | C6 | H6 | 111.2° | 111.0° |
| C6 | C5 | H4 | 110.4° | 110.5° |
| N5 | C3 | C2 | 119.9° | 120.0° |
| N5 | C3 | H33 | 120.0° | 120.0° |
| C3 | N5 | H36 | 112.0° | 119.9° |
| C3 | C2 | N1 | 106.2° | 109.4° |
| C2 | C3 | H33 | 120.1° | 120.0° |
| C3 | C2 | H32 | 108.9° | 109.5° |
| C7 | C6 | H5 | 111.2° | 111.0° |
| C7 | C6 | H6 | 111.2° | 111.0° |
| C6 | C7 | H7 | 111.3° | 110.2° |
| C6 | C7 | H8 | 111.3° | 110.2° |
| C2 | N1 | C1 | 120.2° | 120.0° |
| N1 | C2 | H32 | 109.7° | 109.5° |
| C2 | N1 | H1 | 119.9° | 120.1° |
| N1 | C1 | C9 | 112.6° | 120.0° |
| N1 | C1 | O2 | 124.9° | 120.0° |
| C1 | N1 | H1 | 119.9° | 120.0° |
| F1 | C22 | F3 | 107.3° | 109.4° |
| F1 | C22 | F2 | 103.7° | 109.4° |
| F1 | C22 | C21 | 112.5° | 109.5° |
| O3 | C13 | N3 | 121.7° | 120.0° |
| O3 | C13 | C14 | 122.2° | 120.0° |
| C9 | C1 | O2 | 122.5° | 120.0° |
| C1 | C9 | N3 | 106.6° | 110.4° |
| C1 | C9 | C12 | 113.6° | 110.6° |
| C1 | C9 | H10 | 110.5° | 110.3° |
| F3 | C22 | F2 | 106.2° | 109.5° |
| F3 | C22 | C21 | 113.1° | 109.5° |
| C23 | C15 | C14 | 113.6° | 109.5° |
| C23 | C15 | C17 | 110.5° | 109.5° |
| C23 | C15 | C16 | 108.1° | 109.5° |
| C15 | C23 | H29 | 109.5° | 109.5° |
| C15 | C23 | H30 | 109.5° | 109.4° |
| C15 | C23 | H31 | 109.5° | 109.5° |
| F2 | C22 | C21 | 113.2° | 109.5° |
| C22 | C21 | N4 | 112.3° | 120.0° |
| C22 | C21 | O4 | 121.9° | 120.0° |
| N3 | C9 | C12 | 104.5° | 104.4° |
| C9 | N3 | C13 | 118.6° | 127.9° |
| C9 | N3 | C10 | 113.0° | 104.6° |
| N3 | C9 | H10 | 110.9° | 110.4° |
| C9 | C12 | C18 | 124.0° | 118.1° |
| C9 | C12 | C11 | 108.4° | 105.3° |
| C12 | C9 | H10 | 110.5° | 110.7° |
| C9 | C12 | H14 | 116.7° | 117.6° |
| N3 | C13 | C14 | 116.1° | 120.0° |
| C13 | N3 | C10 | 126.2° | 127.5° |
| C13 | C14 | N4 | 103.5° | 109.5° |
| C13 | C14 | C15 | 111.8° | 109.5° |
| C13 | C14 | H15 | 109.1° | 109.5° |
| C21 | N4 | C14 | 121.9° | 120.0° |
| N4 | C21 | O4 | 125.8° | 120.0° |
| C21 | N4 | H16 | 119.1° | 120.0° |
| N4 | C14 | C15 | 113.7° | 109.5° |
| N4 | C14 | H15 | 109.8° | 109.5° |
| C14 | N4 | H16 | 119.1° | 120.0° |
| C19 | C18 | C12 | 118.4° | 117.5° |
| C19 | C18 | C20 | 115.5° | 115.5° |
| C19 | C18 | C11 | 117.3° | 117.7° |
| C18 | C19 | H23 | 109.5° | 109.4° |
| C18 | C19 | H24 | 109.5° | 109.5° |
| C18 | C19 | H25 | 109.5° | 109.5° |
| N3 | C10 | C11 | 104.4° | 104.6° |
| N3 | C10 | H11 | 110.7° | 110.4° |
| N3 | C10 | H12 | 110.7° | 110.5° |
| C18 | C12 | C11 | 60.4° | 58.9° |
| C12 | C18 | C20 | 118.2° | 117.4° |
| C12 | C18 | C11 | 58.6° | 59.7° |
| C18 | C12 | H14 | 116.1° | 119.6° |
| C12 | C11 | C18 | 61.0° | 61.5° |
| C12 | C11 | C10 | 109.7° | 105.0° |
| C12 | C11 | H13 | 116.0° | 121.8° |
| C11 | C12 | H14 | 116.9° | 123.2° |
| C14 | C15 | C17 | 109.8° | 109.5° |
| C14 | C15 | C16 | 107.3° | 109.5° |
| C15 | C14 | H15 | 108.9° | 109.5° |
| C17 | C15 | C16 | 107.5° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C15 | C17 | H21 | 109.4° | 109.5° |
| C15 | C17 | H22 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.4° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C20 | C18 | C11 | 117.0° | 117.7° |
| C18 | C20 | H26 | 109.5° | 109.5° |
| C18 | C20 | H27 | 109.5° | 109.5° |
| C18 | C20 | H28 | 109.5° | 109.5° |
| C18 | C11 | C10 | 124.9° | 118.1° |
| C18 | C11 | H13 | 115.5° | 119.5° |
| C11 | C10 | H11 | 110.7° | 110.4° |
| C11 | C10 | H12 | 110.7° | 110.4° |
| C10 | C11 | H13 | 116.3° | 117.6° |
| H5 | C6 | H6 | 109.5° | 110.8° |
| H7 | C7 | H8 | 109.5° | 110.2° |
| H11 | C10 | H12 | 109.5° | 110.4° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.4° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H26 | C20 | H28 | 109.4° | 109.5° |
| H27 | C20 | H28 | 109.4° | 109.4° |
| H17 | C16 | H19 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H19 | C16 | H18 | 109.5° | 109.5° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H20 | C17 | H22 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.5° |
| H29 | C23 | H31 | 109.4° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | N2 | C5 | 178.7° | 179.8° |
| O1 | C8 | N2 | C7 | 171.2° | 179.9° |
| O1 | C8 | C5 | C4 | 45.5° | 77.8° |
| O1 | C8 | C5 | C6 | 164.7° | 163.5° |
| O1 | C8 | C5 | H4 | 77.9° | 44.9° |
| O1 | C8 | N2 | H9 | 8.8° | 0.3° |
| C8 | N2 | C7 | H9 | 180.0° | 179.9° |
| N2 | C8 | C5 | C4 | 135.7° | 102.4° |
| N2 | C8 | C5 | C6 | 16.6° | 16.3° |
| C8 | N2 | C7 | C6 | 28.5° | 16.9° |
| C8 | N2 | C7 | H7 | 90.2° | 102.0° |
| C8 | N2 | C7 | H8 | 147.4° | 136.0° |
| N2 | C8 | C5 | H4 | 100.9° | 134.9° |
| C5 | C8 | N2 | C7 | 7.5° | 0.3° |
| C8 | C5 | C4 | C6 | 113.3° | 114.8° |
| C8 | C5 | C4 | H4 | 123.4° | 122.7° |
| C8 | C5 | C4 | C2 | 177.6° | 66.5° |
| C8 | C5 | C6 | H4 | 117.7° | 118.7° |
| C8 | C5 | C6 | C7 | 32.8° | 24.8° |
| C8 | C5 | C6 | H5 | 86.1° | 93.3° |
| C8 | C5 | C6 | H6 | 151.7° | 143.0° |
| C8 | C5 | C4 | H2 | 62.3° | 173.6° |
| C8 | C5 | C4 | H3 | 57.4° | 53.5° |
| C5 | C8 | N2 | H9 | 172.5° | 179.5° |
| N2 | C7 | C6 | C5 | 37.2° | 25.4° |
| N2 | C7 | C6 | H7 | 118.8° | 119.0° |
| N2 | C7 | C6 | H8 | 118.8° | 119.2° |
| N2 | C7 | C6 | H5 | 81.6° | 92.7° |
| N2 | C7 | C6 | H6 | 156.1° | 143.6° |
| N2 | C7 | H7 | H8 | 123.5° | 122.0° |
| C5 | C4 | C2 | H2 | 120.1° | 119.9° |
| C5 | C4 | C2 | H3 | 120.1° | 120.0° |
| C4 | C5 | C6 | H4 | 123.4° | 122.6° |
| C5 | C4 | C2 | C3 | 166.6° | 175.0° |
| C4 | C5 | C6 | C7 | 151.8° | 93.9° |
| C5 | C4 | C2 | N1 | 74.8° | 65.0° |
| C4 | C5 | C6 | H5 | 32.9° | 148.0° |
| C4 | C5 | C6 | H6 | 89.3° | 24.3° |
| C5 | C4 | H2 | H3 | 119.6° | 120.0° |
| C5 | C4 | C2 | H32 | 45.0° | 54.9° |
| C2 | C4 | C5 | C6 | 69.1° | 178.7° |
| C4 | C2 | C3 | N5 | 77.9° | 119.9° |
| C4 | C2 | C3 | N1 | 120.4° | 119.9° |
| C4 | C2 | C3 | H32 | 121.4° | 120.1° |
| C4 | C2 | N1 | H32 | 119.1° | 120.0° |
| C4 | C2 | N1 | C1 | 109.1° | 155.0° |
| C4 | C2 | C3 | H33 | 102.1° | 60.1° |
| C2 | C4 | C5 | H4 | 54.1° | 56.2° |
| C2 | C4 | H2 | H3 | 119.6° | 120.0° |
| C4 | C2 | N1 | H1 | 70.9° | 25.0° |
| C5 | C6 | C7 | H5 | 118.9° | 118.1° |
| C5 | C6 | C7 | H6 | 118.9° | 118.2° |
| C5 | C6 | H5 | H6 | 123.2° | 123.8° |
| C5 | C6 | C7 | H7 | 81.5° | 93.6° |
| C5 | C6 | C7 | H8 | 156.0° | 144.5° |
| C6 | C5 | C4 | H2 | 51.0° | 58.8° |
| C6 | C5 | C4 | H3 | 170.7° | 61.2° |
| N5 | C3 | C2 | H33 | 180.0° | 180.0° |
| N5 | C3 | C2 | N1 | 161.6° | 0.0° |
| N5 | C3 | C2 | H32 | 43.5° | 120.0° |
| C3 | C2 | N1 | H32 | 117.6° | 120.0° |
| C3 | C2 | N1 | C1 | 127.6° | 85.0° |
| C3 | C2 | C4 | H2 | 46.4° | 55.1° |
| C3 | C2 | C4 | H3 | 73.3° | 65.0° |
| C2 | C3 | N5 | H36 | 180.0° | 180.0° |
| C3 | C2 | N1 | H1 | 52.3° | 95.0° |
| C7 | C6 | H5 | H6 | 123.2° | 123.8° |
| C6 | C7 | H7 | H8 | 123.5° | 121.9° |
| C7 | C6 | C5 | H4 | 84.8° | 143.5° |
| C6 | C7 | N2 | H9 | 151.5° | 162.9° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | C9 | 176.8° | 180.0° |
| C2 | N1 | C1 | O2 | 3.4° | 0.0° |
| N1 | C2 | C3 | H33 | 18.4° | 180.0° |
| N1 | C2 | C4 | H2 | 165.1° | 175.0° |
| N1 | C2 | C4 | H3 | 45.4° | 55.0° |
| N1 | C1 | C9 | O2 | 179.8° | 180.0° |
| N1 | C1 | C9 | N3 | 148.6° | 161.5° |
| N1 | C1 | C9 | C12 | 96.8° | 83.6° |
| N1 | C1 | C9 | H10 | 28.0° | 39.2° |
| C1 | N1 | C2 | H32 | 10.1° | 35.0° |
| F1 | C22 | F3 | F2 | 110.4° | 119.9° |
| F1 | C22 | F3 | C21 | 124.7° | 120.0° |
| F1 | C22 | F2 | C21 | 122.3° | 120.0° |
| F1 | C22 | C21 | N4 | 30.6° | 60.0° |
| F1 | C22 | C21 | O4 | 151.3° | 120.0° |
| O3 | C13 | N3 | C9 | 3.4° | 4.1° |
| O3 | C13 | N3 | C14 | 178.8° | 180.0° |
| O3 | C13 | C14 | N4 | 55.0° | 27.7° |
| O3 | C13 | N3 | C10 | 165.2° | 175.2° |
| O3 | C13 | C14 | C15 | 67.7° | 92.3° |
| O3 | C13 | C14 | H15 | 171.8° | 147.7° |
| C1 | C9 | N3 | C12 | 120.6° | 118.8° |
| C1 | C9 | N3 | H10 | 120.3° | 122.2° |
| C1 | C9 | C12 | H10 | 124.8° | 122.5° |
| C1 | C9 | N3 | C13 | 77.1° | 100.8° |
| C1 | C9 | N3 | C10 | 118.8° | 79.8° |
| C1 | C9 | C12 | C18 | 178.8° | 157.9° |
| C1 | C9 | C12 | C11 | 115.0° | 95.4° |
| C1 | C9 | C12 | H14 | 19.5° | 46.3° |
| C9 | C1 | N1 | H1 | 3.2° | 0.1° |
| O2 | C1 | C9 | N3 | 31.6° | 18.6° |
| O2 | C1 | C9 | C12 | 83.0° | 96.4° |
| O2 | C1 | C9 | H10 | 152.1° | 140.9° |
| O2 | C1 | N1 | H1 | 176.6° | 180.0° |
| F3 | C22 | F2 | C21 | 124.8° | 120.1° |
| F3 | C22 | C21 | N4 | 91.3° | 60.0° |
| F3 | C22 | C21 | O4 | 86.8° | 120.0° |
| C23 | C15 | C14 | C13 | 71.1° | 62.5° |
| C23 | C15 | C14 | N4 | 45.6° | 177.5° |
| C23 | C15 | C14 | C17 | 124.2° | 120.0° |
| C23 | C15 | C14 | C16 | 119.3° | 120.0° |
| C23 | C15 | C17 | C16 | 117.7° | 120.0° |
| C23 | C15 | C16 | H17 | 180.0° | 60.0° |
| C23 | C15 | C16 | H19 | 60.0° | 180.0° |
| C23 | C15 | C16 | H18 | 60.0° | 60.0° |
| C23 | C15 | C17 | H20 | 180.0° | 60.0° |
| C23 | C15 | C17 | H21 | 60.0° | 180.0° |
| C23 | C15 | C17 | H22 | 60.0° | 60.0° |
| C15 | C23 | H29 | H30 | 120.0° | 119.9° |
| C15 | C23 | H29 | H31 | 120.0° | 120.0° |
| C15 | C23 | H30 | H31 | 120.0° | 120.0° |
| C23 | C15 | C14 | H15 | 168.3° | 57.6° |
| F2 | C22 | C21 | N4 | 147.8° | 180.0° |
| F2 | C22 | C21 | O4 | 34.1° | 0.0° |
| C22 | C21 | N4 | O4 | 178.0° | 180.0° |
| C22 | C21 | N4 | C14 | 173.5° | 180.0° |
| C22 | C21 | N4 | H16 | 6.5° | 0.0° |
| N3 | C9 | C12 | H10 | 119.3° | 118.8° |
| C9 | N3 | C13 | C10 | 161.8° | 179.3° |
| C9 | N3 | C13 | C14 | 177.9° | 175.9° |
| N3 | C9 | C12 | C18 | 65.4° | 39.2° |
| N3 | C9 | C12 | C11 | 0.8° | 23.3° |
| C9 | N3 | C10 | C11 | 2.1° | 39.3° |
| C9 | N3 | C10 | H11 | 121.3° | 79.5° |
| C9 | N3 | C10 | H12 | 117.0° | 158.1° |
| N3 | C9 | C12 | H14 | 135.3° | 165.0° |
| C12 | C9 | N3 | C13 | 162.2° | 140.4° |
| C9 | C12 | C18 | C19 | 13.2° | 16.1° |
| C12 | C9 | N3 | C10 | 1.9° | 39.0° |
| C9 | C12 | C18 | C11 | 93.2° | 91.5° |
| C9 | C12 | C18 | H14 | 159.4° | 155.3° |
| C9 | C12 | C11 | H14 | 134.4° | 139.0° |
| C9 | C12 | C18 | C20 | 160.7° | 160.8° |
| C9 | C12 | C11 | C10 | 0.4° | 0.3° |
| C9 | C12 | C11 | H13 | 134.6° | 137.3° |
| N3 | C13 | C14 | N4 | 126.3° | 152.3° |
| N3 | C13 | C14 | C15 | 111.0° | 87.7° |
| C13 | N3 | C10 | C11 | 160.5° | 140.2° |
| C13 | N3 | C10 | H11 | 41.3° | 101.1° |
| C13 | N3 | C10 | H12 | 80.3° | 21.4° |
| C13 | N3 | C9 | H10 | 43.2° | 21.5° |
| N3 | C13 | C14 | H15 | 9.4° | 32.3° |
| C13 | C14 | N4 | C21 | 125.5° | 155.0° |
| C13 | C14 | N4 | C15 | 121.4° | 120.0° |
| C13 | C14 | N4 | H15 | 116.3° | 120.0° |
| C14 | C13 | N3 | C10 | 16.1° | 4.8° |
| C13 | C14 | C15 | H15 | 120.6° | 120.0° |
| C13 | C14 | C15 | C17 | 53.1° | 177.5° |
| C13 | C14 | C15 | C16 | 169.6° | 57.5° |
| C13 | C14 | N4 | H16 | 54.5° | 25.0° |
| C21 | N4 | C14 | H16 | 180.0° | 180.0° |
| C21 | N4 | C14 | C15 | 113.1° | 85.0° |
| C21 | N4 | C14 | H15 | 9.2° | 35.0° |
| C14 | N4 | C21 | O4 | 8.5° | 0.0° |
| N4 | C14 | C15 | H15 | 122.8° | 120.0° |
| N4 | C14 | C15 | C17 | 169.8° | 57.5° |
| N4 | C14 | C15 | C16 | 73.8° | 62.4° |
| C19 | C18 | C12 | C20 | 147.6° | 144.7° |
| C19 | C18 | C12 | C11 | 106.3° | 107.6° |
| C19 | C18 | C20 | C11 | 144.5° | 146.4° |
| C19 | C18 | C11 | C10 | 13.4° | 14.7° |
| C19 | C18 | C11 | H13 | 144.9° | 140.3° |
| C19 | C18 | C12 | H14 | 146.2° | 139.2° |
| C18 | C19 | H23 | H24 | 120.0° | 120.0° |
| C18 | C19 | H23 | H25 | 120.0° | 120.0° |
| C18 | C19 | H24 | H25 | 120.0° | 120.1° |
| C19 | C18 | C20 | H26 | 180.0° | 85.4° |
| C19 | C18 | C20 | H27 | 60.0° | 34.6° |
| C19 | C18 | C20 | H28 | 60.0° | 154.6° |
| N3 | C10 | C11 | C12 | 1.5° | 23.9° |
| N3 | C10 | C11 | C18 | 66.2° | 41.5° |
| N3 | C10 | C11 | H11 | 119.2° | 118.7° |
| N3 | C10 | C11 | H12 | 119.2° | 118.9° |
| N3 | C10 | H11 | H12 | 122.4° | 122.5° |
| C10 | N3 | C9 | H10 | 120.9° | 158.0° |
| N3 | C10 | C11 | H13 | 135.6° | 163.0° |
| O4 | C21 | N4 | H16 | 171.5° | 179.9° |
| C18 | C12 | C11 | H14 | 106.3° | 107.1° |
| C12 | C18 | C20 | C11 | 67.0° | 68.3° |
| C12 | C18 | C11 | C10 | 94.7° | 92.5° |
| C18 | C12 | C9 | H10 | 53.9° | 79.6° |
| C18 | C12 | C11 | H13 | 106.1° | 108.8° |
| C12 | C18 | C19 | H23 | 180.0° | 60.0° |
| C12 | C18 | C19 | H24 | 60.0° | 180.0° |
| C12 | C18 | C19 | H25 | 60.0° | 59.9° |
| C12 | C18 | C20 | H26 | 31.5° | 60.0° |
| C12 | C18 | C20 | H27 | 88.5° | 180.0° |
| C12 | C18 | C20 | H28 | 151.5° | 60.0° |
| C12 | C11 | C10 | H13 | 134.1° | 139.1° |
| C12 | C11 | C10 | H11 | 120.7° | 94.9° |
| C12 | C11 | C10 | H12 | 117.7° | 142.7° |
| C11 | C12 | C9 | H10 | 120.2° | 142.1° |
| C14 | C15 | C17 | C16 | 116.3° | 120.0° |
| C14 | C15 | C16 | H17 | 57.2° | 179.9° |
| C14 | C15 | C16 | H19 | 62.8° | 60.0° |
| C14 | C15 | C16 | H18 | 177.2° | 60.0° |
| C14 | C15 | C17 | H20 | 54.0° | 60.0° |
| C14 | C15 | C17 | H21 | 174.0° | 60.0° |
| C14 | C15 | C17 | H22 | 66.0° | 180.0° |
| C14 | C15 | C23 | H29 | 180.0° | 56.4° |
| C14 | C15 | C23 | H30 | 60.0° | 176.4° |
| C14 | C15 | C23 | H31 | 60.0° | 63.6° |
| C15 | C14 | N4 | H16 | 66.9° | 95.0° |
| C17 | C15 | C16 | H17 | 60.8° | 60.0° |
| C17 | C15 | C16 | H19 | 179.2° | 60.0° |
| C17 | C15 | C16 | H18 | 59.2° | 180.0° |
| C15 | C17 | H20 | H21 | 120.0° | 120.1° |
| C15 | C17 | H20 | H22 | 120.0° | 120.0° |
| C15 | C17 | H21 | H22 | 120.0° | 120.1° |
| C17 | C15 | C23 | H29 | 56.2° | 63.5° |
| C17 | C15 | C23 | H30 | 176.2° | 56.4° |
| C17 | C15 | C23 | H31 | 63.8° | 176.4° |
| C17 | C15 | C14 | H15 | 67.5° | 62.4° |
| C15 | C16 | H17 | H19 | 120.0° | 120.0° |
| C15 | C16 | H17 | H18 | 120.0° | 120.0° |
| C15 | C16 | H19 | H18 | 120.0° | 120.0° |
| C16 | C15 | C17 | H20 | 62.3° | 180.0° |
| C16 | C15 | C17 | H21 | 57.7° | 60.0° |
| C16 | C15 | C17 | H22 | 177.7° | 60.0° |
| C16 | C15 | C23 | H29 | 61.1° | 176.5° |
| C16 | C15 | C23 | H30 | 58.9° | 63.6° |
| C16 | C15 | C23 | H31 | 178.9° | 56.4° |
| C16 | C15 | C14 | H15 | 49.0° | 177.6° |
| C20 | C18 | C11 | C10 | 157.2° | 160.3° |
| C20 | C18 | C11 | H13 | 1.1° | 5.3° |
| C20 | C18 | C12 | H14 | 1.4° | 5.5° |
| C20 | C18 | C19 | H23 | 31.6° | 154.6° |
| C20 | C18 | C19 | H24 | 88.4° | 34.6° |
| C20 | C18 | C19 | H25 | 151.6° | 85.4° |
| C18 | C20 | H26 | H27 | 120.0° | 120.0° |
| C18 | C20 | H26 | H28 | 120.0° | 120.0° |
| C18 | C20 | H27 | H28 | 120.0° | 120.0° |
| C18 | C11 | C10 | H13 | 158.2° | 155.5° |
| C18 | C11 | C10 | H11 | 53.0° | 160.2° |
| C18 | C11 | C10 | H12 | 174.6° | 77.4° |
| C11 | C18 | C19 | H23 | 112.8° | 8.3° |
| C11 | C18 | C19 | H24 | 127.2° | 111.7° |
| C11 | C18 | C19 | H25 | 7.2° | 128.2° |
| C11 | C18 | C20 | H26 | 35.5° | 128.3° |
| C11 | C18 | C20 | H27 | 155.5° | 111.7° |
| C11 | C18 | C20 | H28 | 84.5° | 8.3° |
| C11 | C10 | H11 | H12 | 122.4° | 122.4° |
| C10 | C11 | C12 | H14 | 134.0° | 138.7° |
| H33 | C3 | C2 | H32 | 136.5° | 60.0° |
| H33 | C3 | N5 | H36 | 0.0° | 0.0° |
| H5 | C6 | C7 | H7 | 159.6° | 148.3° |
| H5 | C6 | C7 | H8 | 37.2° | 26.4° |
| H5 | C6 | C5 | H4 | 156.3° | 25.4° |
| H6 | C6 | C7 | H7 | 37.4° | 24.6° |
| H6 | C6 | C7 | H8 | 85.1° | 97.3° |
| H6 | C6 | C5 | H4 | 34.1° | 98.3° |
| H7 | C7 | N2 | H9 | 89.7° | 78.1° |
| H8 | C7 | N2 | H9 | 32.7° | 43.8° |
| H11 | C10 | C11 | H13 | 105.2° | 44.3° |
| H12 | C10 | C11 | H13 | 16.4° | 78.1° |
| H4 | C5 | C4 | H2 | 174.3° | 63.8° |
| H4 | C5 | C4 | H3 | 66.0° | 176.2° |
| H10 | C9 | C12 | H14 | 105.4° | 76.2° |
| H13 | C11 | C12 | H14 | 0.2° | 1.7° |
| H23 | C19 | H24 | H25 | 120.0° | 120.0° |
| H26 | C20 | H27 | H28 | 119.9° | 120.0° |
| H17 | C16 | H19 | H18 | 120.0° | 120.0° |
| H20 | C17 | H21 | H22 | 120.0° | 119.9° |
| H29 | C23 | H30 | H31 | 120.0° | 120.1° |
| H2 | C4 | C2 | H32 | 75.1° | 65.0° |
| H3 | C4 | C2 | H32 | 165.1° | 175.0° |
| H32 | C2 | N1 | H1 | 169.9° | 145.0° |
| H15 | C14 | N4 | H16 | 170.8° | 145.1° |
