NQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C8 | sing | 1.74Å | 1.74Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| O1 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C11 | sing | 1.51Å | 1.55Å | |
| C4 | C20 | sing | 1.53Å | 1.54Å | |
| O2 | C11 | doub | 1.21Å | 1.23Å | |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| C1 | C21 | sing | 1.53Å | 1.52Å | |
| C11 | N2 | sing | 1.35Å | 1.35Å | |
| C15 | N3 | sing | 1.46Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.54Å | 1.51Å | |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| N2 | C19 | sing | 1.47Å | 1.47Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | C16 | sing | 1.35Å | 1.34Å | |
| C16 | O3 | doub | 1.21Å | 1.29Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| N1 | H8 | sing | 1.01Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | CL2 | sing | 1.80Å | 1.07Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C8 | C9 | 119.3° | 120.0° |
| CL1 | C8 | C7 | 118.7° | 119.9° |
| C9 | C8 | C7 | 122.0° | 120.1° |
| C8 | C9 | C10 | 118.8° | 120.0° |
| C8 | C9 | H11 | 120.6° | 120.0° |
| C8 | C7 | C6 | 119.3° | 120.0° |
| C8 | C7 | H4 | 120.3° | 120.0° |
| C9 | C10 | C5 | 119.4° | 120.0° |
| C10 | C9 | H11 | 120.6° | 120.0° |
| C9 | C10 | H12 | 120.3° | 120.0° |
| C7 | C6 | C5 | 119.8° | 120.0° |
| C7 | C6 | H3 | 120.1° | 120.0° |
| C6 | C7 | H4 | 120.4° | 120.0° |
| C10 | C5 | C6 | 120.6° | 119.9° |
| C10 | C5 | O1 | 127.5° | 120.0° |
| C5 | C10 | H12 | 120.3° | 120.0° |
| C6 | C5 | O1 | 111.9° | 120.1° |
| C5 | C6 | H3 | 120.1° | 120.0° |
| C5 | O1 | C4 | 123.0° | 117.0° |
| C3 | C2 | C1 | 108.9° | 109.5° |
| C2 | C3 | C4 | 117.4° | 109.5° |
| C2 | C3 | H1 | 107.5° | 109.5° |
| C2 | C3 | H2 | 107.4° | 109.5° |
| C3 | C2 | H5 | 109.6° | 109.5° |
| C3 | C2 | H6 | 109.6° | 109.5° |
| C2 | C1 | N1 | 111.4° | 109.5° |
| C2 | C1 | C21 | 108.5° | 109.5° |
| C1 | C2 | H5 | 109.6° | 109.4° |
| C1 | C2 | H6 | 109.6° | 109.5° |
| C2 | C1 | H10 | 107.8° | 109.5° |
| C3 | C4 | O1 | 105.4° | 109.4° |
| C3 | C4 | C11 | 105.8° | 109.5° |
| C3 | C4 | C20 | 113.5° | 109.5° |
| C4 | C3 | H1 | 107.4° | 109.5° |
| C4 | C3 | H2 | 107.4° | 109.4° |
| O1 | C4 | C11 | 115.2° | 109.5° |
| O1 | C4 | C20 | 107.8° | 109.4° |
| C11 | C4 | C20 | 109.2° | 109.5° |
| C4 | C11 | O2 | 118.2° | 120.0° |
| C4 | C11 | N2 | 125.3° | 120.0° |
| C4 | C20 | C21 | 118.6° | 109.5° |
| C4 | C20 | H28 | 107.2° | 109.4° |
| C4 | C20 | H29 | 107.1° | 109.5° |
| O2 | C11 | N2 | 116.5° | 120.0° |
| N1 | C1 | C21 | 112.9° | 109.4° |
| C1 | N1 | H7 | 109.5° | 111.0° |
| C1 | N1 | H8 | 109.5° | 111.0° |
| N1 | C1 | H10 | 108.3° | 109.5° |
| C1 | C21 | C20 | 110.8° | 109.5° |
| C21 | C1 | H10 | 107.8° | 109.4° |
| C1 | C21 | H30 | 109.2° | 109.4° |
| C1 | C21 | H31 | 109.1° | 109.5° |
| C11 | N2 | C19 | 121.9° | 120.6° |
| C11 | N2 | C12 | 129.0° | 120.6° |
| N3 | C15 | C14 | 121.0° | 109.5° |
| C15 | N3 | C16 | 121.9° | 120.0° |
| N3 | C15 | H18 | 106.5° | 109.5° |
| N3 | C15 | H19 | 106.5° | 109.5° |
| C15 | N3 | H20 | 119.0° | 120.0° |
| C15 | C14 | C18 | 111.1° | 109.4° |
| C15 | C14 | C13 | 110.5° | 109.5° |
| C15 | C14 | H17 | 108.5° | 109.4° |
| C14 | C15 | H18 | 106.5° | 109.5° |
| C14 | C15 | H19 | 106.5° | 109.5° |
| C21 | C20 | H28 | 107.2° | 109.5° |
| C21 | C20 | H29 | 107.2° | 109.5° |
| C20 | C21 | H30 | 109.1° | 109.4° |
| C20 | C21 | H31 | 109.1° | 109.5° |
| C19 | C18 | C14 | 112.3° | 109.2° |
| C18 | C19 | N2 | 109.7° | 108.6° |
| C19 | C18 | H24 | 108.8° | 109.5° |
| C19 | C18 | H25 | 108.8° | 109.5° |
| C18 | C19 | H26 | 109.4° | 109.8° |
| C18 | C19 | H27 | 109.4° | 109.7° |
| C18 | C14 | C13 | 109.6° | 109.6° |
| C18 | C14 | H17 | 108.6° | 109.5° |
| C14 | C18 | H24 | 108.8° | 109.7° |
| C14 | C18 | H25 | 108.7° | 109.4° |
| C19 | N2 | C12 | 109.0° | 118.7° |
| N2 | C19 | H26 | 109.4° | 109.5° |
| N2 | C19 | H27 | 109.4° | 109.6° |
| N2 | C12 | C13 | 109.9° | 108.8° |
| N2 | C12 | H13 | 109.4° | 109.5° |
| N2 | C12 | H14 | 109.4° | 109.6° |
| C14 | C13 | C12 | 114.6° | 109.3° |
| C14 | C13 | H15 | 108.2° | 109.5° |
| C14 | C13 | H16 | 108.2° | 109.5° |
| C13 | C14 | H17 | 108.5° | 109.5° |
| C13 | C12 | H13 | 109.3° | 109.6° |
| C13 | C12 | H14 | 109.3° | 109.7° |
| C12 | C13 | H15 | 108.2° | 109.5° |
| C12 | C13 | H16 | 108.2° | 109.5° |
| N3 | C16 | O3 | 122.2° | 120.0° |
| N3 | C16 | C17 | 118.5° | 120.0° |
| C16 | N3 | H20 | 119.1° | 120.0° |
| O3 | C16 | C17 | 119.3° | 120.0° |
| C16 | C17 | H21 | 109.5° | 109.5° |
| C16 | C17 | H22 | 109.6° | 109.5° |
| C16 | C17 | CL2 | 109.2° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | N1 | H8 | 109.4° | 111.0° |
| H13 | C12 | H14 | 109.5° | 109.6° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H21 | C17 | CL2 | 109.5° | 109.5° |
| H22 | C17 | CL2 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.4° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.7° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C8 | C9 | C7 | 179.2° | 179.7° |
| CL1 | C8 | C9 | C10 | 179.7° | 180.0° |
| CL1 | C8 | C7 | C6 | 179.8° | 179.7° |
| CL1 | C8 | C7 | H4 | 0.2° | 0.3° |
| CL1 | C8 | C9 | H11 | 0.3° | 0.3° |
| C8 | C9 | C10 | H11 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 1.0° | 0.1° |
| C8 | C9 | C10 | C5 | 0.4° | 0.5° |
| C9 | C8 | C7 | H4 | 179.0° | 180.0° |
| C8 | C9 | C10 | H12 | 179.6° | 180.0° |
| C7 | C8 | C9 | C10 | 1.1° | 0.2° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H3 | 179.7° | 180.0° |
| C7 | C8 | C9 | H11 | 178.9° | 179.9° |
| C9 | C10 | C5 | H12 | 180.0° | 179.5° |
| C9 | C10 | C5 | C6 | 0.2° | 0.5° |
| C9 | C10 | C5 | O1 | 179.3° | 179.7° |
| C7 | C6 | C5 | C10 | 0.3° | 0.3° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | O1 | 179.3° | 180.0° |
| C10 | C5 | C6 | O1 | 179.6° | 179.7° |
| C10 | C5 | O1 | C4 | 22.5° | 3.7° |
| C10 | C5 | C6 | H3 | 179.7° | 179.7° |
| C5 | C10 | C9 | H11 | 179.5° | 179.8° |
| C6 | C5 | O1 | C4 | 157.1° | 176.6° |
| C5 | C6 | C7 | H4 | 179.7° | 180.0° |
| C6 | C5 | C10 | H12 | 179.8° | 180.0° |
| C5 | O1 | C4 | C3 | 84.7° | 177.6° |
| C5 | O1 | C4 | C11 | 31.5° | 57.6° |
| C5 | O1 | C4 | C20 | 153.7° | 62.4° |
| O1 | C5 | C6 | H3 | 0.7° | 0.0° |
| O1 | C5 | C10 | H12 | 0.7° | 0.2° |
| C3 | C2 | C1 | H5 | 119.9° | 120.0° |
| C3 | C2 | C1 | H6 | 119.9° | 120.0° |
| C2 | C3 | C4 | H1 | 121.2° | 120.1° |
| C2 | C3 | C4 | H2 | 121.1° | 120.0° |
| C2 | C3 | C4 | O1 | 89.4° | 60.0° |
| C2 | C3 | C4 | C11 | 148.1° | 180.0° |
| C2 | C3 | C4 | C20 | 28.4° | 59.9° |
| C3 | C2 | C1 | N1 | 168.6° | 180.0° |
| C3 | C2 | C1 | C21 | 66.6° | 60.0° |
| C2 | C3 | H1 | H2 | 116.4° | 120.0° |
| C3 | C2 | H5 | H6 | 120.3° | 120.0° |
| C3 | C2 | C1 | H10 | 49.9° | 60.0° |
| C1 | C2 | C3 | C4 | 50.1° | 60.0° |
| C2 | C1 | N1 | C21 | 122.4° | 120.0° |
| C2 | C1 | N1 | H10 | 118.4° | 120.0° |
| C2 | C1 | C21 | H10 | 116.5° | 120.0° |
| C2 | C1 | C21 | C20 | 62.6° | 59.9° |
| C1 | C2 | C3 | H1 | 71.1° | 180.0° |
| C1 | C2 | C3 | H2 | 171.2° | 60.0° |
| C1 | C2 | H5 | H6 | 120.3° | 120.0° |
| C2 | C1 | N1 | H7 | 180.0° | 180.0° |
| C2 | C1 | N1 | H8 | 60.0° | 56.1° |
| C2 | C1 | C21 | H30 | 57.6° | 60.0° |
| C2 | C1 | C21 | H31 | 177.3° | 180.0° |
| C3 | C4 | O1 | C11 | 116.2° | 120.0° |
| C3 | C4 | O1 | C20 | 121.5° | 120.0° |
| C3 | C4 | C11 | C20 | 122.5° | 120.0° |
| C3 | C4 | C11 | O2 | 1.2° | 100.5° |
| C3 | C4 | C11 | N2 | 178.8° | 79.5° |
| C3 | C4 | C20 | C21 | 24.0° | 59.9° |
| C4 | C3 | H1 | H2 | 116.4° | 119.9° |
| C4 | C3 | C2 | H5 | 69.9° | 60.0° |
| C4 | C3 | C2 | H6 | 170.0° | 180.0° |
| C3 | C4 | C20 | H28 | 97.3° | 60.0° |
| C3 | C4 | C20 | H29 | 145.3° | 180.0° |
| O1 | C4 | C11 | C20 | 121.5° | 120.0° |
| O1 | C4 | C11 | O2 | 117.2° | 139.5° |
| O1 | C4 | C11 | N2 | 62.8° | 40.5° |
| O1 | C4 | C20 | C21 | 92.4° | 60.0° |
| O1 | C4 | C3 | H1 | 149.4° | 60.1° |
| O1 | C4 | C3 | H2 | 31.7° | 180.0° |
| O1 | C4 | C20 | H28 | 146.3° | 180.0° |
| O1 | C4 | C20 | H29 | 28.9° | 60.0° |
| C4 | C11 | O2 | N2 | 180.0° | 180.0° |
| C11 | C4 | C20 | C21 | 141.8° | 180.0° |
| C4 | C11 | N2 | C19 | 174.4° | 174.3° |
| C4 | C11 | N2 | C12 | 4.2° | 5.5° |
| C11 | C4 | C3 | H1 | 26.9° | 59.9° |
| C11 | C4 | C3 | H2 | 90.7° | 60.0° |
| C11 | C4 | C20 | H28 | 20.4° | 60.0° |
| C11 | C4 | C20 | H29 | 96.9° | 59.9° |
| C20 | C4 | C11 | O2 | 121.3° | 19.6° |
| C4 | C20 | C21 | C1 | 41.6° | 59.9° |
| C20 | C4 | C11 | N2 | 58.7° | 160.5° |
| C4 | C20 | C21 | H28 | 121.3° | 120.0° |
| C4 | C20 | C21 | H29 | 121.3° | 120.0° |
| C20 | C4 | C3 | H1 | 92.8° | 180.0° |
| C20 | C4 | C3 | H2 | 149.5° | 60.1° |
| C4 | C20 | H28 | H29 | 115.9° | 120.0° |
| C4 | C20 | C21 | H30 | 78.6° | 60.0° |
| C4 | C20 | C21 | H31 | 161.8° | 180.0° |
| O2 | C11 | N2 | C19 | 5.6° | 5.8° |
| O2 | C11 | N2 | C12 | 175.8° | 174.5° |
| N1 | C1 | C21 | H10 | 119.5° | 120.0° |
| N1 | C1 | C21 | C20 | 173.5° | 180.0° |
| N1 | C1 | C2 | H5 | 71.5° | 60.0° |
| N1 | C1 | C2 | H6 | 48.7° | 60.0° |
| C1 | N1 | H7 | H8 | 120.0° | 124.0° |
| N1 | C1 | C21 | H30 | 66.3° | 60.1° |
| N1 | C1 | C21 | H31 | 53.3° | 60.0° |
| C1 | C21 | C20 | H30 | 120.2° | 119.9° |
| C1 | C21 | C20 | H31 | 120.2° | 120.0° |
| C21 | C1 | C2 | H5 | 53.3° | 60.0° |
| C21 | C1 | C2 | H6 | 173.5° | 180.0° |
| C21 | C1 | N1 | H7 | 57.6° | 60.0° |
| C21 | C1 | N1 | H8 | 62.4° | 64.0° |
| C1 | C21 | C20 | H28 | 79.7° | 60.0° |
| C1 | C21 | C20 | H29 | 162.9° | 180.0° |
| C1 | C21 | H30 | H31 | 119.4° | 120.0° |
| C11 | N2 | C19 | C18 | 113.3° | 126.3° |
| C11 | N2 | C19 | C12 | 178.9° | 179.8° |
| C11 | N2 | C12 | C13 | 116.5° | 126.4° |
| C11 | N2 | C12 | H13 | 3.5° | 6.6° |
| C11 | N2 | C12 | H14 | 123.4° | 113.7° |
| C11 | N2 | C19 | H26 | 6.7° | 113.8° |
| C11 | N2 | C19 | H27 | 126.7° | 6.6° |
| N3 | C15 | C14 | H18 | 121.6° | 120.0° |
| N3 | C15 | C14 | H19 | 121.6° | 120.1° |
| N3 | C15 | C14 | C18 | 149.6° | 64.9° |
| N3 | C15 | C14 | C13 | 88.6° | 175.0° |
| C15 | N3 | C16 | H20 | 180.0° | 179.9° |
| C15 | N3 | C16 | O3 | 1.5° | 0.1° |
| C15 | N3 | C16 | C17 | 176.4° | 180.0° |
| N3 | C15 | C14 | H17 | 30.2° | 55.1° |
| N3 | C15 | H18 | H19 | 114.8° | 120.0° |
| C15 | C14 | C18 | C19 | 170.2° | 178.5° |
| C15 | C14 | C18 | C13 | 122.3° | 120.0° |
| C15 | C14 | C18 | H17 | 119.3° | 119.9° |
| C15 | C14 | C13 | H17 | 118.9° | 119.9° |
| C15 | C14 | C13 | C12 | 168.6° | 178.6° |
| C14 | C15 | N3 | C16 | 82.1° | 179.9° |
| C15 | C14 | C13 | H15 | 70.6° | 61.4° |
| C15 | C14 | C13 | H16 | 47.9° | 58.6° |
| C14 | C15 | H18 | H19 | 114.8° | 120.0° |
| C14 | C15 | N3 | H20 | 97.9° | 0.1° |
| C15 | C14 | C18 | H24 | 69.3° | 61.5° |
| C15 | C14 | C18 | H25 | 49.8° | 58.7° |
| C20 | C21 | C1 | H10 | 54.0° | 60.1° |
| C21 | C20 | H28 | H29 | 115.9° | 120.0° |
| C20 | C21 | H30 | H31 | 119.4° | 120.0° |
| C19 | C18 | C14 | H24 | 120.5° | 120.0° |
| C19 | C18 | C14 | H25 | 120.4° | 119.8° |
| C18 | C19 | N2 | H26 | 120.0° | 119.9° |
| C18 | C19 | N2 | H27 | 120.0° | 119.8° |
| C18 | C19 | N2 | C12 | 65.5° | 53.9° |
| C19 | C18 | C14 | C13 | 47.9° | 61.5° |
| C19 | C18 | C14 | H17 | 70.5° | 58.6° |
| C19 | C18 | H24 | H25 | 118.7° | 120.1° |
| C18 | C19 | H26 | H27 | 119.9° | 120.6° |
| C14 | C18 | C19 | N2 | 59.0° | 54.8° |
| C18 | C14 | C13 | H17 | 118.4° | 120.0° |
| C18 | C14 | C13 | C12 | 45.9° | 61.4° |
| C18 | C14 | C13 | H15 | 166.6° | 58.6° |
| C18 | C14 | C13 | H16 | 74.8° | 178.7° |
| C18 | C14 | C15 | H18 | 88.8° | 55.1° |
| C18 | C14 | C15 | H19 | 28.0° | 175.0° |
| C14 | C18 | H24 | H25 | 118.7° | 120.1° |
| C14 | C18 | C19 | H26 | 179.0° | 64.9° |
| C14 | C18 | C19 | H27 | 61.1° | 174.5° |
| C19 | N2 | C12 | C13 | 62.3° | 53.9° |
| C19 | N2 | C12 | H13 | 177.7° | 173.7° |
| C19 | N2 | C12 | H14 | 57.8° | 66.1° |
| N2 | C19 | C18 | H24 | 179.4° | 65.3° |
| N2 | C19 | C18 | H25 | 61.5° | 174.6° |
| N2 | C19 | H26 | H27 | 119.9° | 120.3° |
| N2 | C12 | C13 | C14 | 53.7° | 54.6° |
| N2 | C12 | C13 | H13 | 120.1° | 119.7° |
| N2 | C12 | C13 | H14 | 120.1° | 119.8° |
| N2 | C12 | H13 | H14 | 119.8° | 120.2° |
| N2 | C12 | C13 | H15 | 174.5° | 65.3° |
| N2 | C12 | C13 | H16 | 67.0° | 174.6° |
| C12 | N2 | C19 | H26 | 174.4° | 65.9° |
| C12 | N2 | C19 | H27 | 54.5° | 173.7° |
| C14 | C13 | C12 | H15 | 120.7° | 120.0° |
| C14 | C13 | C12 | H16 | 120.7° | 119.9° |
| C14 | C13 | C12 | H13 | 173.8° | 174.4° |
| C14 | C13 | C12 | H14 | 66.3° | 65.2° |
| C14 | C13 | H15 | H16 | 117.7° | 120.1° |
| C13 | C14 | C15 | H18 | 33.0° | 65.0° |
| C13 | C14 | C15 | H19 | 149.8° | 55.0° |
| C13 | C14 | C18 | H24 | 168.4° | 58.5° |
| C13 | C14 | C18 | H25 | 72.5° | 178.7° |
| C13 | C12 | H13 | H14 | 119.8° | 120.5° |
| C12 | C13 | H15 | H16 | 117.7° | 120.1° |
| C12 | C13 | C14 | H17 | 72.5° | 58.6° |
| N3 | C16 | O3 | C17 | 178.0° | 179.9° |
| C16 | N3 | C15 | H18 | 156.2° | 60.1° |
| C16 | N3 | C15 | H19 | 39.5° | 59.9° |
| N3 | C16 | C17 | H21 | 122.5° | 60.1° |
| N3 | C16 | C17 | H22 | 2.4° | 60.0° |
| N3 | C16 | C17 | CL2 | 117.5° | 179.9° |
| O3 | C16 | N3 | H20 | 178.5° | 179.9° |
| O3 | C16 | C17 | H21 | 59.5° | 120.0° |
| O3 | C16 | C17 | H22 | 179.5° | 120.0° |
| O3 | C16 | C17 | CL2 | 60.5° | 0.0° |
| C17 | C16 | N3 | H20 | 3.6° | 0.1° |
| C16 | C17 | H21 | H22 | 120.1° | 120.0° |
| C16 | C17 | H21 | CL2 | 119.8° | 120.0° |
| C16 | C17 | H22 | CL2 | 119.8° | 120.0° |
| H1 | C3 | C2 | H5 | 169.0° | 60.1° |
| H1 | C3 | C2 | H6 | 48.8° | 60.0° |
| H2 | C3 | C2 | H5 | 51.3° | 180.0° |
| H2 | C3 | C2 | H6 | 68.9° | 60.0° |
| H3 | C6 | C7 | H4 | 0.3° | 0.0° |
| H5 | C2 | C1 | H10 | 169.8° | 180.0° |
| H6 | C2 | C1 | H10 | 70.0° | 60.1° |
| H7 | N1 | C1 | H10 | 61.6° | 59.9° |
| H8 | N1 | C1 | H10 | 178.4° | 176.1° |
| H10 | C1 | C21 | H30 | 174.2° | 180.0° |
| H10 | C1 | C21 | H31 | 66.2° | 60.0° |
| H11 | C9 | C10 | H12 | 0.5° | 0.3° |
| H13 | C12 | C13 | H15 | 65.5° | 54.4° |
| H13 | C12 | C13 | H16 | 53.1° | 65.7° |
| H14 | C12 | C13 | H15 | 54.4° | 174.8° |
| H14 | C12 | C13 | H16 | 173.0° | 54.7° |
| H15 | C13 | C14 | H17 | 48.2° | 178.6° |
| H16 | C13 | C14 | H17 | 166.7° | 61.3° |
| H17 | C14 | C15 | H18 | 151.9° | 175.1° |
| H17 | C14 | C15 | H19 | 91.3° | 65.0° |
| H17 | C14 | C18 | H24 | 50.0° | 178.6° |
| H17 | C14 | C18 | H25 | 169.1° | 61.3° |
| H18 | C15 | N3 | H20 | 23.7° | 120.1° |
| H19 | C15 | N3 | H20 | 140.5° | 119.9° |
| H21 | C17 | H22 | CL2 | 120.1° | 120.0° |
| H24 | C18 | C19 | H26 | 60.6° | 175.0° |
| H24 | C18 | C19 | H27 | 59.4° | 54.4° |
| H25 | C18 | C19 | H26 | 58.6° | 54.9° |
| H25 | C18 | C19 | H27 | 178.5° | 65.7° |
| H28 | C20 | C21 | H30 | 160.1° | 180.0° |
| H28 | C20 | C21 | H31 | 40.5° | 60.0° |
| H29 | C20 | C21 | H30 | 42.7° | 60.0° |
| H29 | C20 | C21 | H31 | 76.9° | 60.0° |
