A1IUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C11 | sing | 1.56Å | 1.56Å | |
| C15 | C14 | sing | 1.57Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.56Å | 1.55Å | |
| C10 | N4 | sing | 1.48Å | 1.47Å | |
| C25 | C22 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| O4 | C20 | doub | 1.21Å | 1.23Å | |
| C14 | C13 | sing | 1.57Å | 1.54Å | |
| C16 | C17 | doub | 1.32Å | 1.32Å | |
| C22 | C19 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.56Å | 1.56Å | |
| C12 | C9 | sing | 1.54Å | 1.54Å | |
| C19 | N5 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| N4 | C18 | sing | 1.35Å | 1.35Å | |
| N4 | C9 | sing | 1.48Å | 1.46Å | |
| C20 | N5 | sing | 1.35Å | 1.34Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C13 | C17 | sing | 1.53Å | 1.51Å | |
| F2 | C21 | sing | 1.40Å | 1.34Å | |
| CL1 | C21 | sing | 1.80Å | 1.75Å | |
| C18 | O3 | doub | 1.21Å | 1.24Å | |
| C9 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C21 | F1 | sing | 1.40Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.54Å | 1.52Å | |
| C6 | C5 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| N2 | C3 | doub | 1.28Å | 1.26Å | |
| C7 | N3 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C8 | sing | 1.51Å | 1.52Å | |
| N3 | C8 | sing | 1.34Å | 1.33Å | |
| C8 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C15 | C14 | 99.6° | 100.5° |
| C11 | C15 | C16 | 107.6° | 104.2° |
| C15 | C11 | C10 | 116.4° | 107.9° |
| C15 | C11 | C12 | 103.0° | 103.5° |
| C15 | C11 | H10 | 109.9° | 113.7° |
| C11 | C15 | H12 | 115.5° | 116.2° |
| C14 | C15 | C16 | 99.7° | 99.8° |
| C15 | C14 | C13 | 93.8° | 93.3° |
| C14 | C15 | H12 | 115.8° | 116.5° |
| C15 | C14 | H31 | 113.3° | 112.5° |
| C15 | C14 | H32 | 113.2° | 112.5° |
| C15 | C16 | C17 | 107.6° | 108.5° |
| C16 | C15 | H12 | 116.3° | 116.9° |
| C15 | C16 | H13 | 126.2° | 125.8° |
| C10 | C11 | C12 | 106.9° | 104.6° |
| C11 | C10 | N4 | 106.0° | 104.8° |
| C10 | C11 | H10 | 110.3° | 113.0° |
| C11 | C10 | H28 | 110.3° | 110.4° |
| C11 | C10 | H29 | 110.3° | 110.4° |
| C11 | C12 | C13 | 102.6° | 103.5° |
| C11 | C12 | C9 | 106.6° | 104.7° |
| C12 | C11 | H10 | 109.9° | 113.2° |
| C11 | C12 | H11 | 109.9° | 113.2° |
| C10 | N4 | C18 | 127.9° | 127.9° |
| C10 | N4 | C9 | 112.4° | 104.3° |
| N4 | C10 | H28 | 110.3° | 110.4° |
| N4 | C10 | H29 | 110.4° | 110.4° |
| C25 | C22 | C24 | 108.4° | 109.5° |
| C25 | C22 | C19 | 108.7° | 109.4° |
| C25 | C22 | C23 | 109.5° | 109.4° |
| C22 | C25 | H34 | 109.5° | 109.4° |
| C22 | C25 | H35 | 109.5° | 109.5° |
| C22 | C25 | H36 | 109.4° | 109.4° |
| C24 | C22 | C19 | 109.6° | 109.5° |
| C24 | C22 | C23 | 108.5° | 109.5° |
| C22 | C24 | H21 | 109.5° | 109.5° |
| C22 | C24 | H22 | 109.5° | 109.5° |
| C22 | C24 | H23 | 109.5° | 109.5° |
| O4 | C20 | N5 | 123.3° | 120.0° |
| O4 | C20 | C21 | 119.8° | 120.0° |
| C14 | C13 | C12 | 99.4° | 100.5° |
| C14 | C13 | C17 | 99.5° | 99.8° |
| C14 | C13 | H30 | 115.8° | 117.3° |
| C13 | C14 | H31 | 113.2° | 112.5° |
| C13 | C14 | H32 | 113.2° | 112.6° |
| C16 | C17 | C13 | 107.8° | 108.4° |
| C17 | C16 | H13 | 126.2° | 125.8° |
| C16 | C17 | H15 | 126.1° | 125.8° |
| C19 | C22 | C23 | 112.0° | 109.5° |
| C22 | C19 | N5 | 113.6° | 109.4° |
| C22 | C19 | C18 | 114.0° | 109.5° |
| C22 | C19 | H17 | 106.4° | 109.4° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C22 | C23 | H19 | 109.4° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.4° |
| C13 | C12 | C9 | 117.4° | 107.9° |
| C12 | C13 | C17 | 108.4° | 104.1° |
| C13 | C12 | H11 | 109.8° | 113.1° |
| C12 | C13 | H30 | 115.2° | 116.2° |
| C12 | C9 | N4 | 105.7° | 104.8° |
| C12 | C9 | C1 | 112.4° | 110.4° |
| C9 | C12 | H11 | 110.1° | 113.6° |
| C12 | C9 | H27 | 109.2° | 110.4° |
| N5 | C19 | C18 | 108.3° | 109.5° |
| C19 | N5 | C20 | 122.6° | 120.0° |
| N5 | C19 | H17 | 107.5° | 109.5° |
| C19 | N5 | H33 | 118.7° | 119.9° |
| C19 | C18 | N4 | 117.9° | 120.0° |
| C19 | C18 | O3 | 120.7° | 120.0° |
| C18 | C19 | H17 | 106.6° | 109.5° |
| O1 | C1 | C9 | 120.7° | 120.0° |
| O1 | C1 | N1 | 124.0° | 120.0° |
| C18 | N4 | C9 | 119.7° | 127.9° |
| N4 | C18 | O3 | 121.5° | 120.0° |
| N4 | C9 | C1 | 110.0° | 110.4° |
| N4 | C9 | H27 | 110.2° | 110.5° |
| N5 | C20 | C21 | 116.8° | 120.0° |
| C20 | N5 | H33 | 118.7° | 120.1° |
| C20 | C21 | F2 | 111.0° | 109.4° |
| C20 | C21 | CL1 | 110.2° | 109.5° |
| C20 | C21 | F1 | 111.1° | 109.5° |
| C13 | C17 | H15 | 126.1° | 125.7° |
| C17 | C13 | H30 | 116.3° | 116.3° |
| F2 | C21 | CL1 | 108.9° | 109.5° |
| F2 | C21 | F1 | 106.3° | 109.4° |
| CL1 | C21 | F1 | 109.2° | 109.5° |
| C9 | C1 | N1 | 115.3° | 120.0° |
| C1 | C9 | H27 | 109.3° | 110.3° |
| C1 | N1 | C2 | 125.6° | 120.0° |
| C1 | N1 | H24 | 117.2° | 120.0° |
| N1 | C2 | C3 | 110.7° | 109.4° |
| N1 | C2 | C4 | 109.2° | 109.5° |
| N1 | C2 | H1 | 109.4° | 109.5° |
| C2 | N1 | H24 | 117.2° | 120.0° |
| C7 | C6 | C5 | 105.7° | 101.7° |
| C6 | C7 | N3 | 103.8° | 105.5° |
| C7 | C6 | H6 | 110.4° | 111.0° |
| C7 | C6 | H7 | 110.4° | 111.0° |
| C6 | C7 | H8 | 110.9° | 110.2° |
| C6 | C7 | H9 | 110.9° | 110.2° |
| C6 | C5 | C4 | 116.9° | 110.5° |
| C6 | C5 | C8 | 103.8° | 104.2° |
| C6 | C5 | H5 | 108.0° | 110.6° |
| C5 | C6 | H6 | 110.4° | 111.0° |
| C5 | C6 | H7 | 110.4° | 110.9° |
| C3 | C2 | C4 | 110.8° | 109.5° |
| C2 | C3 | N2 | 120.5° | 120.0° |
| C3 | C2 | H1 | 108.3° | 109.5° |
| C2 | C3 | H2 | 119.7° | 120.0° |
| C2 | C4 | C5 | 115.7° | 109.5° |
| C4 | C2 | H1 | 108.4° | 109.5° |
| C2 | C4 | H3 | 107.9° | 109.5° |
| C2 | C4 | H4 | 107.9° | 109.4° |
| N2 | C3 | H2 | 119.8° | 120.0° |
| C3 | N2 | H25 | 112.0° | 120.0° |
| C7 | N3 | C8 | 114.2° | 111.3° |
| N3 | C7 | H8 | 110.9° | 110.3° |
| N3 | C7 | H9 | 110.9° | 110.3° |
| C7 | N3 | H26 | 122.9° | 124.3° |
| C4 | C5 | C8 | 112.0° | 110.5° |
| C5 | C4 | H3 | 107.9° | 109.5° |
| C5 | C4 | H4 | 107.9° | 109.5° |
| C4 | C5 | H5 | 107.8° | 110.4° |
| C5 | C8 | N3 | 109.2° | 110.2° |
| C5 | C8 | O2 | 125.2° | 124.9° |
| C8 | C5 | H5 | 108.1° | 110.5° |
| N3 | C8 | O2 | 125.6° | 124.9° |
| C8 | N3 | H26 | 122.9° | 124.4° |
| H3 | C4 | H4 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 110.9° |
| H8 | C7 | H9 | 109.4° | 110.3° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H20 | 109.4° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.4° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.4° | 109.5° |
| H28 | C10 | H29 | 109.5° | 110.4° |
| H31 | C14 | H32 | 109.4° | 112.2° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.4° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C15 | C14 | C16 | 109.9° | 106.6° |
| C11 | C15 | C14 | H12 | 124.5° | 126.5° |
| C11 | C15 | C16 | H12 | 131.3° | 129.8° |
| C15 | C11 | C10 | C12 | 114.5° | 109.7° |
| C15 | C11 | C10 | H10 | 126.0° | 126.6° |
| C15 | C11 | C12 | H10 | 117.1° | 123.6° |
| C15 | C11 | C10 | N4 | 106.7° | 133.8° |
| C11 | C15 | C14 | C13 | 59.3° | 57.2° |
| C11 | C15 | C16 | C17 | 70.2° | 70.2° |
| C15 | C11 | C12 | C13 | 0.7° | 0.0° |
| C15 | C11 | C12 | C9 | 124.6° | 112.9° |
| C15 | C11 | C12 | H11 | 116.1° | 122.8° |
| C11 | C15 | C16 | H13 | 109.8° | 109.7° |
| C15 | C11 | C10 | H28 | 133.9° | 107.3° |
| C15 | C11 | C10 | H29 | 12.8° | 14.9° |
| C11 | C15 | C14 | H31 | 176.6° | 173.2° |
| C11 | C15 | C14 | H32 | 58.0° | 58.9° |
| C14 | C15 | C16 | H12 | 125.3° | 126.6° |
| C14 | C15 | C11 | C10 | 153.3° | 146.9° |
| C14 | C15 | C11 | C12 | 36.6° | 36.4° |
| C15 | C14 | C13 | H31 | 117.3° | 116.0° |
| C15 | C14 | C13 | H32 | 117.3° | 116.0° |
| C14 | C15 | C16 | C17 | 33.1° | 33.4° |
| C15 | C14 | C13 | C12 | 59.7° | 57.1° |
| C15 | C14 | C13 | C17 | 50.9° | 49.3° |
| C14 | C15 | C11 | H10 | 80.5° | 86.9° |
| C14 | C15 | C16 | H13 | 146.9° | 146.7° |
| C15 | C14 | C13 | H30 | 176.2° | 175.9° |
| C15 | C14 | H31 | H32 | 127.4° | 128.0° |
| C16 | C15 | C11 | C10 | 49.8° | 43.8° |
| C16 | C15 | C11 | C12 | 66.9° | 66.7° |
| C16 | C15 | C14 | C13 | 50.6° | 49.4° |
| C15 | C16 | C17 | H13 | 180.0° | 179.9° |
| C15 | C16 | C17 | C13 | 0.8° | 0.1° |
| C16 | C15 | C11 | H10 | 176.0° | 170.1° |
| C15 | C16 | C17 | H15 | 179.3° | 180.0° |
| C16 | C15 | C14 | H31 | 66.7° | 66.7° |
| C16 | C15 | C14 | H32 | 167.9° | 165.5° |
| C10 | C11 | C12 | H10 | 119.8° | 123.5° |
| C11 | C10 | N4 | H28 | 119.4° | 118.9° |
| C11 | C10 | N4 | H29 | 119.4° | 118.9° |
| C10 | C11 | C12 | C13 | 122.5° | 112.9° |
| C10 | C11 | C12 | C9 | 1.4° | 0.0° |
| C11 | C10 | N4 | C18 | 166.3° | 140.0° |
| C11 | C10 | N4 | C9 | 15.1° | 40.0° |
| C10 | C11 | C12 | H11 | 120.7° | 124.3° |
| C10 | C11 | C15 | H12 | 82.0° | 86.4° |
| C11 | C10 | H28 | H29 | 121.6° | 122.3° |
| C12 | C11 | C10 | N4 | 7.8° | 24.1° |
| C11 | C12 | C13 | C14 | 37.7° | 36.4° |
| C11 | C12 | C13 | C9 | 116.4° | 110.6° |
| C11 | C12 | C13 | H11 | 116.8° | 122.9° |
| C11 | C12 | C9 | H11 | 119.2° | 124.0° |
| C11 | C12 | C9 | N4 | 10.1° | 24.0° |
| C11 | C12 | C13 | C17 | 65.6° | 66.7° |
| C11 | C12 | C9 | C1 | 109.9° | 142.9° |
| C12 | C11 | C15 | H12 | 161.4° | 163.1° |
| C11 | C12 | C9 | H27 | 128.7° | 95.0° |
| C12 | C11 | C10 | H28 | 111.6° | 142.9° |
| C12 | C11 | C10 | H29 | 127.3° | 94.8° |
| C11 | C12 | C13 | H30 | 162.1° | 164.0° |
| C10 | N4 | C9 | C12 | 16.0° | 39.9° |
| C10 | N4 | C18 | C19 | 2.5° | 5.0° |
| C10 | N4 | C18 | C9 | 178.4° | 180.0° |
| C10 | N4 | C18 | O3 | 177.8° | 175.1° |
| C10 | N4 | C9 | C1 | 105.5° | 158.8° |
| N4 | C10 | C11 | H10 | 127.3° | 99.6° |
| C10 | N4 | C9 | H27 | 133.8° | 79.0° |
| N4 | C10 | H28 | H29 | 121.6° | 122.3° |
| C25 | C22 | C24 | C19 | 118.6° | 120.0° |
| C25 | C22 | C24 | C23 | 118.8° | 120.0° |
| C25 | C22 | C19 | C23 | 121.1° | 120.0° |
| C25 | C22 | C19 | N5 | 61.7° | 174.8° |
| C25 | C22 | C19 | C18 | 173.5° | 54.7° |
| C25 | C22 | C19 | H17 | 56.4° | 65.3° |
| C25 | C22 | C23 | H18 | 180.0° | 60.0° |
| C25 | C22 | C23 | H19 | 60.0° | 60.0° |
| C25 | C22 | C23 | H20 | 60.0° | 179.9° |
| C25 | C22 | C24 | H21 | 180.0° | 60.0° |
| C25 | C22 | C24 | H22 | 60.0° | 60.0° |
| C25 | C22 | C24 | H23 | 60.0° | 180.0° |
| C22 | C25 | H34 | H35 | 120.0° | 120.0° |
| C22 | C25 | H34 | H36 | 120.0° | 119.9° |
| C22 | C25 | H35 | H36 | 120.0° | 120.0° |
| C24 | C22 | C19 | C23 | 120.5° | 120.0° |
| C24 | C22 | C19 | N5 | 179.9° | 54.7° |
| C24 | C22 | C19 | C18 | 55.1° | 65.3° |
| C24 | C22 | C19 | H17 | 62.1° | 174.7° |
| C24 | C22 | C23 | H18 | 61.9° | 60.0° |
| C24 | C22 | C23 | H19 | 58.2° | 180.0° |
| C24 | C22 | C23 | H20 | 178.2° | 60.1° |
| C22 | C24 | H21 | H22 | 120.0° | 120.0° |
| C22 | C24 | H21 | H23 | 120.0° | 120.0° |
| C22 | C24 | H22 | H23 | 120.0° | 120.0° |
| C24 | C22 | C25 | H34 | 180.0° | 64.6° |
| C24 | C22 | C25 | H35 | 60.0° | 175.3° |
| C24 | C22 | C25 | H36 | 60.0° | 55.3° |
| O4 | C20 | N5 | C19 | 2.7° | 0.0° |
| O4 | C20 | N5 | C21 | 178.5° | 179.9° |
| O4 | C20 | C21 | F2 | 24.3° | 120.0° |
| O4 | C20 | C21 | CL1 | 96.5° | 0.0° |
| O4 | C20 | C21 | F1 | 142.3° | 120.0° |
| O4 | C20 | N5 | H33 | 177.3° | 180.0° |
| C14 | C13 | C17 | C16 | 34.4° | 33.2° |
| C14 | C13 | C12 | C17 | 103.3° | 103.0° |
| C14 | C13 | C12 | H30 | 124.4° | 127.6° |
| C14 | C13 | C12 | C9 | 154.1° | 146.9° |
| C14 | C13 | C17 | H30 | 125.0° | 127.2° |
| C14 | C13 | C12 | H11 | 79.1° | 86.5° |
| C13 | C14 | C15 | H12 | 176.2° | 176.3° |
| C14 | C13 | C17 | H15 | 145.7° | 146.7° |
| C13 | C14 | H31 | H32 | 127.4° | 128.1° |
| C16 | C17 | C13 | C12 | 68.9° | 70.3° |
| C16 | C17 | C13 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | H12 | 158.5° | 160.0° |
| C16 | C17 | C13 | H30 | 159.3° | 160.5° |
| C22 | C19 | N5 | C18 | 127.8° | 120.0° |
| C22 | C19 | N5 | H17 | 117.5° | 119.9° |
| C22 | C19 | C18 | H17 | 117.1° | 120.0° |
| C22 | C19 | C18 | N4 | 108.8° | 96.6° |
| C22 | C19 | N5 | C20 | 122.8° | 85.0° |
| C22 | C19 | C18 | O3 | 70.8° | 83.5° |
| C19 | C22 | C23 | H18 | 59.3° | 180.0° |
| C19 | C22 | C23 | H19 | 179.3° | 60.0° |
| C19 | C22 | C23 | H20 | 60.7° | 60.0° |
| C19 | C22 | C24 | H21 | 61.4° | 60.0° |
| C19 | C22 | C24 | H22 | 58.6° | 180.0° |
| C19 | C22 | C24 | H23 | 178.6° | 60.0° |
| C22 | C19 | N5 | H33 | 57.2° | 95.0° |
| C19 | C22 | C25 | H34 | 60.8° | 55.4° |
| C19 | C22 | C25 | H35 | 179.1° | 64.7° |
| C19 | C22 | C25 | H36 | 59.2° | 175.3° |
| C23 | C22 | C19 | N5 | 59.4° | 65.3° |
| C23 | C22 | C19 | C18 | 65.4° | 174.7° |
| C23 | C22 | C19 | H17 | 177.5° | 54.6° |
| C22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C22 | C23 | H18 | H20 | 120.0° | 120.0° |
| C22 | C23 | H19 | H20 | 120.0° | 119.9° |
| C23 | C22 | C24 | H21 | 61.2° | 180.0° |
| C23 | C22 | C24 | H22 | 178.8° | 60.0° |
| C23 | C22 | C24 | H23 | 58.8° | 60.1° |
| C23 | C22 | C25 | H34 | 61.8° | 175.4° |
| C23 | C22 | C25 | H35 | 58.2° | 55.3° |
| C23 | C22 | C25 | H36 | 178.2° | 64.7° |
| C13 | C12 | C9 | H11 | 126.6° | 126.2° |
| C13 | C12 | C9 | N4 | 104.1° | 133.8° |
| C12 | C13 | C17 | H30 | 131.7° | 129.3° |
| C13 | C12 | C9 | C1 | 135.9° | 107.3° |
| C13 | C12 | C11 | H10 | 117.7° | 123.5° |
| C12 | C13 | C17 | H15 | 111.0° | 109.8° |
| C13 | C12 | C9 | H27 | 14.4° | 14.9° |
| C12 | C13 | C14 | H31 | 177.0° | 173.2° |
| C12 | C13 | C14 | H32 | 57.6° | 58.9° |
| C12 | C9 | C1 | O1 | 80.9° | 77.6° |
| C12 | C9 | N4 | C18 | 165.3° | 140.0° |
| C12 | C9 | N4 | C1 | 121.6° | 118.9° |
| C12 | C9 | N4 | H27 | 117.8° | 118.9° |
| C9 | C12 | C13 | C17 | 50.8° | 43.9° |
| C12 | C9 | C1 | H27 | 121.4° | 122.3° |
| C12 | C9 | C1 | N1 | 99.9° | 102.6° |
| C9 | C12 | C11 | H10 | 118.3° | 123.5° |
| C9 | C12 | C13 | H30 | 81.5° | 85.4° |
| N5 | C19 | C18 | H17 | 115.3° | 120.0° |
| N5 | C19 | C18 | N4 | 123.7° | 143.5° |
| C19 | N5 | C20 | H33 | 180.0° | 180.0° |
| C19 | N5 | C20 | C21 | 178.7° | 180.0° |
| N5 | C19 | C18 | O3 | 56.7° | 36.5° |
| C19 | C18 | N4 | O3 | 179.6° | 179.9° |
| C19 | C18 | N4 | C9 | 175.9° | 175.0° |
| C18 | C19 | N5 | C20 | 109.4° | 155.0° |
| C18 | C19 | N5 | H33 | 70.6° | 25.0° |
| O1 | C1 | C9 | N4 | 36.6° | 37.8° |
| O1 | C1 | C9 | N1 | 179.2° | 179.8° |
| O1 | C1 | N1 | C2 | 5.6° | 0.1° |
| O1 | C1 | N1 | H24 | 174.4° | 180.0° |
| O1 | C1 | C9 | H27 | 157.8° | 160.1° |
| C18 | N4 | C9 | C1 | 73.1° | 21.2° |
| N4 | C18 | C19 | H17 | 8.3° | 23.4° |
| C18 | N4 | C9 | H27 | 47.5° | 101.1° |
| C18 | N4 | C10 | H28 | 74.2° | 21.1° |
| C18 | N4 | C10 | H29 | 46.9° | 101.1° |
| C9 | N4 | C18 | O3 | 3.7° | 4.9° |
| N4 | C9 | C1 | H27 | 121.2° | 122.3° |
| N4 | C9 | C1 | N1 | 142.6° | 142.0° |
| N4 | C9 | C12 | H11 | 129.3° | 99.9° |
| C9 | N4 | C10 | H28 | 104.3° | 158.8° |
| C9 | N4 | C10 | H29 | 134.6° | 78.9° |
| N5 | C20 | C21 | F2 | 157.1° | 60.0° |
| N5 | C20 | C21 | CL1 | 82.1° | 180.0° |
| N5 | C20 | C21 | F1 | 39.1° | 59.9° |
| C20 | N5 | C19 | H17 | 5.3° | 35.0° |
| C20 | C21 | F2 | CL1 | 121.5° | 120.0° |
| C20 | C21 | F2 | F1 | 120.9° | 120.0° |
| C20 | C21 | CL1 | F1 | 122.3° | 120.0° |
| C21 | C20 | N5 | H33 | 1.2° | 0.0° |
| C17 | C13 | C12 | H11 | 177.6° | 170.4° |
| C13 | C17 | C16 | H13 | 179.2° | 180.0° |
| C17 | C13 | C14 | H31 | 66.4° | 66.7° |
| C17 | C13 | C14 | H32 | 168.2° | 165.4° |
| F2 | C21 | CL1 | F1 | 115.7° | 120.0° |
| O3 | C18 | C19 | H17 | 172.1° | 156.5° |
| C9 | C1 | N1 | C2 | 173.6° | 179.7° |
| C1 | C9 | C12 | H11 | 9.3° | 18.9° |
| C9 | C1 | N1 | H24 | 6.4° | 0.2° |
| C1 | N1 | C2 | H24 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 126.5° | 85.0° |
| C1 | N1 | C2 | C4 | 111.2° | 155.0° |
| C1 | N1 | C2 | H1 | 7.2° | 35.0° |
| N1 | C1 | C9 | H27 | 21.5° | 19.7° |
| N1 | C2 | C3 | C4 | 121.4° | 120.0° |
| N1 | C2 | C3 | H1 | 119.9° | 120.0° |
| N1 | C2 | C4 | H1 | 119.1° | 120.0° |
| N1 | C2 | C3 | N2 | 144.3° | 0.0° |
| N1 | C2 | C4 | C5 | 70.9° | 65.0° |
| N1 | C2 | C3 | H2 | 35.7° | 180.0° |
| N1 | C2 | C4 | H3 | 50.0° | 55.0° |
| N1 | C2 | C4 | H4 | 168.2° | 175.0° |
| C7 | C6 | C5 | H6 | 119.4° | 118.1° |
| C7 | C6 | C5 | H7 | 119.4° | 118.1° |
| C6 | C7 | N3 | H8 | 119.1° | 119.0° |
| C6 | C7 | N3 | H9 | 119.1° | 119.0° |
| C7 | C6 | C5 | C4 | 142.0° | 93.9° |
| C7 | C6 | C5 | C8 | 18.2° | 24.8° |
| C6 | C7 | N3 | C8 | 9.9° | 17.0° |
| C7 | C6 | C5 | H5 | 96.3° | 143.5° |
| C7 | C6 | H6 | H7 | 121.7° | 123.8° |
| C6 | C7 | H8 | H9 | 122.6° | 121.9° |
| C6 | C7 | N3 | H26 | 170.1° | 163.0° |
| C6 | C5 | C4 | C2 | 57.4° | 178.7° |
| C5 | C6 | C7 | N3 | 17.2° | 25.4° |
| C6 | C5 | C4 | C8 | 119.5° | 114.8° |
| C6 | C5 | C4 | H5 | 121.8° | 122.7° |
| C6 | C5 | C8 | H5 | 114.5° | 118.9° |
| C6 | C5 | C8 | N3 | 12.8° | 16.2° |
| C6 | C5 | C8 | O2 | 166.5° | 163.8° |
| C6 | C5 | C4 | H3 | 178.3° | 61.2° |
| C6 | C5 | C4 | H4 | 63.6° | 58.8° |
| C5 | C6 | H6 | H7 | 121.8° | 123.8° |
| C5 | C6 | C7 | H8 | 136.3° | 93.6° |
| C5 | C6 | C7 | H9 | 101.9° | 144.4° |
| C3 | C2 | C4 | H1 | 118.7° | 120.0° |
| C2 | C3 | N2 | H2 | 180.0° | 180.0° |
| C3 | C2 | C4 | C5 | 166.8° | 175.0° |
| C3 | C2 | C4 | H3 | 72.3° | 65.0° |
| C3 | C2 | C4 | H4 | 45.9° | 55.0° |
| C3 | C2 | N1 | H24 | 53.5° | 95.1° |
| C2 | C3 | N2 | H25 | 180.0° | 180.0° |
| C4 | C2 | C3 | N2 | 94.3° | 120.0° |
| C2 | C4 | C5 | H3 | 120.9° | 120.0° |
| C2 | C4 | C5 | H4 | 120.9° | 120.0° |
| C2 | C4 | C5 | C8 | 176.9° | 66.5° |
| C4 | C2 | C3 | H2 | 85.7° | 60.0° |
| C2 | C4 | H3 | H4 | 117.2° | 120.0° |
| C2 | C4 | C5 | H5 | 64.4° | 56.1° |
| C4 | C2 | N1 | H24 | 68.8° | 24.9° |
| N2 | C3 | C2 | H1 | 24.4° | 120.0° |
| C7 | N3 | C8 | C5 | 1.9° | 0.4° |
| C7 | N3 | C8 | H26 | 180.0° | 180.0° |
| C7 | N3 | C8 | O2 | 177.4° | 179.6° |
| N3 | C7 | C6 | H6 | 136.6° | 143.5° |
| N3 | C7 | C6 | H7 | 102.2° | 92.7° |
| N3 | C7 | H8 | H9 | 122.7° | 122.0° |
| C4 | C5 | C8 | H5 | 118.6° | 122.5° |
| C4 | C5 | C8 | N3 | 139.7° | 102.4° |
| C4 | C5 | C8 | O2 | 39.6° | 77.6° |
| C5 | C4 | C2 | H1 | 48.2° | 55.0° |
| C5 | C4 | H3 | H4 | 117.1° | 120.0° |
| C4 | C5 | C6 | H6 | 98.6° | 24.2° |
| C4 | C5 | C6 | H7 | 22.6° | 148.0° |
| C5 | C8 | N3 | O2 | 179.3° | 180.0° |
| C8 | C5 | C4 | H3 | 62.2° | 53.5° |
| C8 | C5 | C4 | H4 | 55.9° | 173.5° |
| C8 | C5 | C6 | H6 | 137.6° | 142.9° |
| C8 | C5 | C6 | H7 | 101.2° | 93.4° |
| C5 | C8 | N3 | H26 | 178.1° | 179.6° |
| N3 | C8 | C5 | H5 | 101.7° | 135.1° |
| C8 | N3 | C7 | H8 | 129.0° | 102.0° |
| C8 | N3 | C7 | H9 | 109.2° | 136.0° |
| O2 | C8 | C5 | H5 | 79.0° | 44.9° |
| O2 | C8 | N3 | H26 | 2.6° | 0.4° |
| H1 | C2 | C3 | H2 | 155.6° | 60.0° |
| H1 | C2 | C4 | H3 | 169.1° | 175.0° |
| H1 | C2 | C4 | H4 | 72.8° | 65.0° |
| H1 | C2 | N1 | H24 | 172.8° | 144.9° |
| H2 | C3 | N2 | H25 | 0.0° | 0.1° |
| H3 | C4 | C5 | H5 | 56.6° | 176.1° |
| H4 | C4 | C5 | H5 | 174.7° | 63.9° |
| H5 | C5 | C6 | H6 | 23.1° | 98.4° |
| H5 | C5 | C6 | H7 | 144.3° | 25.4° |
| H6 | C6 | C7 | H8 | 104.3° | 24.5° |
| H6 | C6 | C7 | H9 | 17.5° | 97.4° |
| H7 | C6 | C7 | H8 | 16.9° | 148.3° |
| H7 | C6 | C7 | H9 | 138.7° | 26.3° |
| H8 | C7 | N3 | H26 | 51.0° | 78.0° |
| H9 | C7 | N3 | H26 | 70.8° | 44.0° |
| H10 | C11 | C12 | H11 | 1.0° | 0.7° |
| H10 | C11 | C15 | H12 | 44.2° | 39.9° |
| H10 | C11 | C10 | H28 | 7.9° | 19.3° |
| H10 | C11 | C10 | H29 | 113.2° | 141.6° |
| H11 | C12 | C9 | H27 | 112.1° | 141.1° |
| H11 | C12 | C13 | H30 | 45.3° | 41.1° |
| H12 | C15 | C16 | H13 | 21.5° | 20.1° |
| H12 | C15 | C14 | H31 | 58.9° | 60.2° |
| H12 | C15 | C14 | H32 | 66.5° | 67.6° |
| H13 | C16 | C17 | H15 | 0.7° | 0.1° |
| H15 | C17 | C13 | H30 | 20.7° | 19.5° |
| H17 | C19 | N5 | H33 | 174.7° | 145.1° |
| H18 | C23 | H19 | H20 | 120.0° | 120.1° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H30 | C13 | C14 | H31 | 58.9° | 59.9° |
| H30 | C13 | C14 | H32 | 66.4° | 68.0° |
| H34 | C25 | H35 | H36 | 120.0° | 120.1° |
