3A7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| O | C | doub | 1.22Å | 1.22Å | |
| BR | C4 | sing | 1.89Å | 1.91Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.49Å | |
| C1 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C | N | sing | 1.35Å | 1.34Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.54Å | 1.51Å | |
| N | C15 | sing | 1.47Å | 1.49Å | |
| N | C7 | sing | 1.47Å | 1.48Å | |
| C8 | C13 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N2 | C21 | sing | 1.34Å | 1.35Å | Aromatic |
| N2 | C22 | doub | 1.30Å | 1.36Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.40Å | Aromatic |
| C22 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C16 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C17 | sing | 1.47Å | 1.50Å | |
| C20 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C18 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C9 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 119.8° | 120.2° |
| C3 | C2 | C1 | 119.8° | 119.8° |
| C3 | C2 | H1 | 120.1° | 120.1° |
| C2 | C3 | H2 | 120.1° | 119.9° |
| C3 | C4 | BR | 119.0° | 119.9° |
| C3 | C4 | C5 | 119.9° | 120.2° |
| C4 | C3 | H2 | 120.1° | 119.9° |
| C2 | C1 | C | 117.3° | 120.1° |
| C2 | C1 | C6 | 121.1° | 119.8° |
| C1 | C2 | H1 | 120.1° | 120.1° |
| O | C | C1 | 116.7° | 120.0° |
| O | C | N | 122.7° | 120.1° |
| BR | C4 | C5 | 121.0° | 119.8° |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C4 | C5 | H3 | 119.9° | 119.9° |
| C | C1 | C6 | 121.6° | 120.2° |
| C1 | C | N | 120.5° | 120.0° |
| C1 | C6 | C5 | 119.1° | 119.9° |
| C1 | C6 | H4 | 120.5° | 120.0° |
| C | N | C15 | 119.4° | 120.6° |
| C | N | C7 | 124.4° | 120.7° |
| C11 | C12 | C13 | 111.3° | 109.6° |
| C12 | C11 | C10 | 111.1° | 109.4° |
| C11 | C12 | H23 | 109.0° | 109.5° |
| C11 | C12 | H24 | 109.0° | 109.5° |
| C12 | C11 | H25 | 109.1° | 109.5° |
| C12 | C11 | H26 | 109.1° | 109.5° |
| C12 | C13 | C14 | 109.6° | 109.2° |
| C12 | C13 | C8 | 109.9° | 109.6° |
| C12 | C13 | H22 | 109.0° | 109.5° |
| C13 | C12 | H23 | 109.0° | 109.4° |
| C13 | C12 | H24 | 109.0° | 109.5° |
| C15 | C14 | C13 | 114.6° | 109.4° |
| C14 | C15 | N | 110.4° | 108.7° |
| C14 | C15 | C16 | 112.4° | 109.6° |
| C14 | C15 | H19 | 108.7° | 109.7° |
| C15 | C14 | H20 | 108.2° | 109.4° |
| C15 | C14 | H21 | 108.2° | 109.4° |
| C14 | C13 | C8 | 110.3° | 109.5° |
| C13 | C14 | H20 | 108.2° | 109.5° |
| C13 | C14 | H21 | 108.2° | 109.4° |
| C14 | C13 | H22 | 109.1° | 109.5° |
| C15 | N | C7 | 116.2° | 118.7° |
| N | C15 | C16 | 107.0° | 109.6° |
| N | C15 | H19 | 109.3° | 109.6° |
| N | C7 | C8 | 109.3° | 109.0° |
| N | C7 | H5 | 109.5° | 109.6° |
| N | C7 | H6 | 109.5° | 109.6° |
| C13 | C8 | C7 | 112.5° | 109.4° |
| C13 | C8 | C9 | 108.9° | 109.5° |
| C8 | C13 | H22 | 108.9° | 109.5° |
| C13 | C8 | H31 | 108.2° | 109.5° |
| C7 | C8 | C9 | 111.0° | 109.1° |
| C8 | C7 | H5 | 109.5° | 109.6° |
| C8 | C7 | H6 | 109.5° | 109.6° |
| C7 | C8 | H31 | 108.0° | 109.6° |
| C8 | C9 | C10 | 112.0° | 109.4° |
| C8 | C9 | H29 | 108.8° | 109.6° |
| C8 | C9 | H30 | 108.8° | 109.5° |
| C9 | C8 | H31 | 107.9° | 109.7° |
| C6 | C5 | H3 | 119.9° | 119.9° |
| C5 | C6 | H4 | 120.5° | 120.1° |
| C11 | C10 | C9 | 113.0° | 109.4° |
| C10 | C11 | H25 | 109.1° | 109.4° |
| C10 | C11 | H26 | 109.1° | 109.5° |
| C11 | C10 | H27 | 108.6° | 109.5° |
| C11 | C10 | H28 | 108.6° | 109.4° |
| C9 | C10 | H27 | 108.6° | 109.5° |
| C9 | C10 | H28 | 108.6° | 109.6° |
| C10 | C9 | H29 | 108.8° | 109.4° |
| C10 | C9 | H30 | 108.8° | 109.5° |
| C15 | C16 | N1 | 116.8° | 109.4° |
| C15 | C16 | H17 | 107.6° | 109.5° |
| C15 | C16 | H18 | 107.6° | 109.5° |
| C16 | C15 | H19 | 109.0° | 109.6° |
| C21 | N2 | C22 | 108.7° | 109.2° |
| N2 | C21 | C20 | 106.9° | 108.0° |
| N2 | C21 | H14 | 126.6° | 126.0° |
| N2 | C22 | N3 | 108.0° | 108.7° |
| N2 | C22 | H12 | 126.0° | 125.6° |
| C21 | C20 | N3 | 106.9° | 106.8° |
| C21 | C20 | C19 | 129.6° | 126.6° |
| C20 | C21 | H14 | 126.6° | 126.0° |
| C22 | N3 | C20 | 109.4° | 107.2° |
| C22 | N3 | H11 | 125.3° | 126.4° |
| N3 | C22 | H12 | 126.0° | 125.6° |
| C16 | N1 | C17 | 110.7° | 111.0° |
| C16 | N1 | H15 | 109.1° | 111.0° |
| N1 | C16 | H17 | 107.6° | 109.5° |
| N1 | C16 | H18 | 107.6° | 109.5° |
| N1 | C17 | C19 | 106.3° | 109.5° |
| N1 | C17 | C18 | 115.9° | 109.5° |
| N1 | C17 | H8 | 107.6° | 109.5° |
| C17 | N1 | H15 | 109.2° | 110.9° |
| N3 | C20 | C19 | 123.4° | 126.6° |
| C20 | N3 | H11 | 125.3° | 126.4° |
| C20 | C19 | C17 | 116.3° | 109.5° |
| C20 | C19 | H9 | 107.7° | 109.4° |
| C20 | C19 | H10 | 107.7° | 109.4° |
| C19 | C17 | C18 | 112.4° | 109.4° |
| C19 | C17 | H8 | 107.3° | 109.5° |
| C17 | C19 | H9 | 107.8° | 109.5° |
| C17 | C19 | H10 | 107.7° | 109.5° |
| C17 | C18 | O1 | 123.6° | 120.0° |
| C17 | C18 | H7 | 118.2° | 120.0° |
| C18 | C17 | H8 | 107.0° | 109.5° |
| O1 | C18 | H7 | 118.2° | 120.0° |
| H5 | C7 | H6 | 109.5° | 109.6° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.6° |
| H23 | C12 | H24 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.4° | 109.5° |
| H29 | C9 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | BR | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C1 | C | 179.8° | 180.0° |
| C3 | C2 | C1 | C6 | 0.9° | 0.3° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | BR | C5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | C3 | C2 | H1 | 179.5° | 179.9° |
| C3 | C4 | C5 | H3 | 179.9° | 180.0° |
| C2 | C1 | C | O | 54.4° | 129.7° |
| C2 | C1 | C | C6 | 179.0° | 179.8° |
| C2 | C1 | C | N | 121.4° | 50.4° |
| C2 | C1 | C6 | C5 | 0.7° | 0.5° |
| C1 | C2 | C3 | H2 | 179.4° | 180.0° |
| C2 | C1 | C6 | H4 | 179.3° | 179.7° |
| O | C | C1 | N | 175.8° | 180.0° |
| O | C | C1 | C6 | 126.7° | 50.6° |
| O | C | N | C15 | 17.1° | 4.1° |
| O | C | N | C7 | 160.7° | 176.0° |
| BR | C4 | C5 | C6 | 180.0° | 179.7° |
| BR | C4 | C3 | H2 | 0.1° | 0.0° |
| BR | C4 | C5 | H3 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.6° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C5 | C4 | C3 | H2 | 179.9° | 180.0° |
| C4 | C5 | C6 | H4 | 179.8° | 179.7° |
| C1 | C | N | C15 | 167.4° | 175.9° |
| C1 | C | N | C7 | 14.8° | 4.1° |
| C | C1 | C6 | C5 | 179.6° | 179.7° |
| C | C1 | C2 | H1 | 0.2° | 0.1° |
| C | C1 | C6 | H4 | 0.4° | 0.0° |
| C6 | C1 | C | N | 57.5° | 129.4° |
| C1 | C6 | C5 | H4 | 180.0° | 179.7° |
| C6 | C1 | C2 | H1 | 179.2° | 179.8° |
| C1 | C6 | C5 | H3 | 179.8° | 179.7° |
| C | N | C15 | C14 | 127.5° | 126.3° |
| C | N | C15 | C7 | 178.0° | 180.0° |
| C | N | C7 | C8 | 123.1° | 126.3° |
| C | N | C15 | C16 | 109.8° | 114.0° |
| C | N | C7 | H5 | 3.2° | 113.9° |
| C | N | C7 | H6 | 116.9° | 6.4° |
| C | N | C15 | H19 | 8.0° | 6.3° |
| C11 | C12 | C13 | H23 | 120.3° | 120.0° |
| C11 | C12 | C13 | H24 | 120.2° | 120.1° |
| C11 | C12 | C13 | C14 | 177.1° | 179.8° |
| C11 | C12 | C13 | C8 | 61.5° | 59.8° |
| C12 | C11 | C10 | H25 | 120.3° | 120.0° |
| C12 | C11 | C10 | H26 | 120.3° | 120.0° |
| C12 | C11 | C10 | C9 | 49.9° | 60.2° |
| C11 | C12 | C13 | H22 | 57.8° | 60.3° |
| C11 | C12 | H23 | H24 | 119.1° | 120.0° |
| C12 | C11 | H25 | H26 | 119.3° | 120.1° |
| C12 | C11 | C10 | H27 | 170.4° | 179.9° |
| C12 | C11 | C10 | H28 | 70.7° | 59.8° |
| C12 | C13 | C14 | C15 | 171.9° | 178.8° |
| C12 | C13 | C14 | C8 | 121.1° | 120.0° |
| C12 | C13 | C14 | H22 | 119.2° | 119.9° |
| C12 | C13 | C8 | H22 | 119.3° | 120.2° |
| C12 | C13 | C8 | C7 | 175.7° | 179.2° |
| C12 | C13 | C8 | C9 | 60.7° | 59.7° |
| C13 | C12 | C11 | C10 | 54.9° | 60.1° |
| C12 | C13 | C14 | H20 | 67.3° | 58.8° |
| C12 | C13 | C14 | H21 | 51.2° | 61.3° |
| C13 | C12 | H23 | H24 | 119.2° | 119.9° |
| C13 | C12 | C11 | H25 | 65.3° | 59.8° |
| C13 | C12 | C11 | H26 | 175.2° | 179.9° |
| C12 | C13 | C8 | H31 | 56.4° | 60.7° |
| C15 | C14 | C13 | H20 | 120.8° | 120.0° |
| C15 | C14 | C13 | H21 | 120.8° | 119.9° |
| C14 | C15 | N | C16 | 122.7° | 119.7° |
| C14 | C15 | N | H19 | 119.5° | 120.0° |
| C14 | C15 | N | C7 | 50.5° | 53.7° |
| C15 | C14 | C13 | C8 | 50.8° | 61.2° |
| C14 | C15 | C16 | H19 | 120.5° | 120.5° |
| C14 | C15 | C16 | N1 | 72.1° | 174.5° |
| C14 | C15 | C16 | H17 | 49.0° | 54.5° |
| C14 | C15 | C16 | H18 | 166.9° | 65.5° |
| C15 | C14 | H20 | H21 | 117.7° | 120.0° |
| C15 | C14 | C13 | H22 | 68.8° | 58.9° |
| C13 | C14 | C15 | N | 47.8° | 54.7° |
| C14 | C13 | C8 | H22 | 119.7° | 120.1° |
| C14 | C13 | C8 | C7 | 54.8° | 61.0° |
| C14 | C13 | C8 | C9 | 178.3° | 179.5° |
| C13 | C14 | C15 | C16 | 71.6° | 65.1° |
| C13 | C14 | C15 | H19 | 167.7° | 174.6° |
| C13 | C14 | H20 | H21 | 117.7° | 120.0° |
| C14 | C13 | C12 | H23 | 62.6° | 60.2° |
| C14 | C13 | C12 | H24 | 56.9° | 59.7° |
| C14 | C13 | C8 | H31 | 64.6° | 59.1° |
| C15 | N | C7 | C8 | 54.7° | 53.7° |
| N | C15 | C16 | H19 | 118.1° | 120.3° |
| N | C15 | C16 | N1 | 166.5° | 55.3° |
| C15 | N | C7 | H5 | 174.7° | 66.2° |
| C15 | N | C7 | H6 | 65.2° | 173.6° |
| N | C15 | C16 | H17 | 72.4° | 64.7° |
| N | C15 | C16 | H18 | 45.4° | 175.3° |
| N | C15 | C14 | H20 | 168.6° | 174.7° |
| N | C15 | C14 | H21 | 72.9° | 65.2° |
| N | C7 | C8 | C13 | 55.9° | 54.6° |
| N | C7 | C8 | H5 | 119.9° | 119.9° |
| N | C7 | C8 | H6 | 120.0° | 119.9° |
| N | C7 | C8 | C9 | 178.3° | 174.4° |
| C7 | N | C15 | C16 | 72.2° | 66.0° |
| N | C7 | H5 | H6 | 120.1° | 120.2° |
| C7 | N | C15 | H19 | 170.0° | 173.7° |
| N | C7 | C8 | H31 | 63.5° | 65.5° |
| C13 | C8 | C7 | C9 | 122.4° | 119.8° |
| C13 | C8 | C7 | H31 | 119.4° | 120.1° |
| C13 | C8 | C9 | H31 | 117.3° | 120.3° |
| C13 | C8 | C9 | C10 | 55.8° | 59.8° |
| C13 | C8 | C7 | H5 | 175.9° | 65.3° |
| C13 | C8 | C7 | H6 | 64.1° | 174.5° |
| C8 | C13 | C14 | H20 | 171.5° | 178.8° |
| C8 | C13 | C14 | H21 | 70.0° | 58.7° |
| C8 | C13 | C12 | H23 | 58.8° | 179.9° |
| C8 | C13 | C12 | H24 | 178.3° | 60.2° |
| C13 | C8 | C9 | H29 | 176.2° | 60.2° |
| C13 | C8 | C9 | H30 | 64.6° | 179.8° |
| C7 | C8 | C9 | H31 | 118.2° | 120.1° |
| C7 | C8 | C9 | C10 | 179.7° | 179.5° |
| C8 | C7 | H5 | H6 | 120.1° | 120.3° |
| C7 | C8 | C13 | H22 | 65.0° | 59.0° |
| C7 | C8 | C9 | H29 | 59.3° | 59.5° |
| C7 | C8 | C9 | H30 | 59.9° | 60.6° |
| C8 | C9 | C10 | C11 | 51.0° | 60.1° |
| C8 | C9 | C10 | H29 | 120.4° | 120.1° |
| C8 | C9 | C10 | H30 | 120.4° | 120.0° |
| C9 | C8 | C7 | H5 | 61.7° | 54.5° |
| C9 | C8 | C7 | H6 | 58.3° | 65.8° |
| C9 | C8 | C13 | H22 | 58.6° | 60.5° |
| C8 | C9 | C10 | H27 | 171.6° | 179.9° |
| C8 | C9 | C10 | H28 | 69.6° | 59.8° |
| C8 | C9 | H29 | H30 | 118.8° | 120.1° |
| C11 | C10 | C9 | H27 | 120.6° | 120.0° |
| C11 | C10 | C9 | H28 | 120.5° | 119.9° |
| C10 | C11 | C12 | H23 | 65.3° | 179.9° |
| C10 | C11 | C12 | H24 | 175.2° | 60.0° |
| C10 | C11 | H25 | H26 | 119.3° | 120.0° |
| C11 | C10 | H27 | H28 | 118.4° | 120.0° |
| C11 | C10 | C9 | H29 | 171.4° | 59.9° |
| C11 | C10 | C9 | H30 | 69.4° | 179.9° |
| C9 | C10 | C11 | H25 | 70.4° | 59.8° |
| C9 | C10 | C11 | H26 | 170.1° | 179.8° |
| C9 | C10 | H27 | H28 | 118.4° | 120.1° |
| C10 | C9 | H29 | H30 | 118.9° | 120.0° |
| C10 | C9 | C8 | H31 | 61.5° | 60.5° |
| C15 | C16 | N1 | H17 | 121.1° | 120.0° |
| C15 | C16 | N1 | H18 | 121.1° | 120.0° |
| C15 | C16 | N1 | C17 | 129.0° | 180.0° |
| C15 | C16 | N1 | H15 | 8.8° | 56.1° |
| C15 | C16 | H17 | H18 | 116.7° | 120.0° |
| C16 | C15 | C14 | H20 | 49.1° | 55.0° |
| C16 | C15 | C14 | H21 | 167.6° | 175.0° |
| N2 | C21 | C20 | H14 | 180.0° | 179.6° |
| C21 | N2 | C22 | N3 | 1.2° | 0.3° |
| N2 | C21 | C20 | N3 | 0.6° | 0.4° |
| N2 | C21 | C20 | C19 | 177.2° | 179.9° |
| C21 | N2 | C22 | H12 | 178.8° | 179.8° |
| C22 | N2 | C21 | C20 | 0.4° | 0.4° |
| N2 | C22 | N3 | H12 | 180.0° | 179.9° |
| N2 | C22 | N3 | C20 | 1.7° | 0.0° |
| N2 | C22 | N3 | H11 | 178.3° | 180.0° |
| C22 | N2 | C21 | H14 | 179.6° | 180.0° |
| C21 | C20 | N3 | C22 | 1.4° | 0.2° |
| C21 | C20 | N3 | C19 | 178.0° | 179.8° |
| C21 | C20 | C19 | C17 | 14.1° | 85.3° |
| C21 | C20 | C19 | H9 | 106.9° | 154.7° |
| C21 | C20 | C19 | H10 | 135.1° | 34.7° |
| C21 | C20 | N3 | H11 | 178.6° | 179.8° |
| C22 | N3 | C20 | H11 | 180.0° | 180.0° |
| C22 | N3 | C20 | C19 | 176.6° | 180.0° |
| C16 | N1 | C17 | H15 | 120.2° | 123.9° |
| C16 | N1 | C17 | C19 | 179.9° | 155.0° |
| C16 | N1 | C17 | C18 | 54.5° | 85.0° |
| C16 | N1 | C17 | H8 | 65.2° | 35.0° |
| N1 | C16 | H17 | H18 | 116.7° | 120.0° |
| N1 | C16 | C15 | H19 | 48.4° | 65.0° |
| N1 | C17 | C19 | C20 | 91.9° | 65.0° |
| N1 | C17 | C19 | C18 | 127.7° | 120.0° |
| N1 | C17 | C19 | H8 | 114.9° | 120.0° |
| N1 | C17 | C18 | H8 | 120.0° | 120.0° |
| N1 | C17 | C18 | O1 | 161.6° | 0.0° |
| N1 | C17 | C18 | H7 | 18.4° | 179.9° |
| N1 | C17 | C19 | H9 | 147.1° | 55.0° |
| N1 | C17 | C19 | H10 | 29.1° | 175.0° |
| C17 | N1 | C16 | H17 | 109.9° | 60.0° |
| C17 | N1 | C16 | H18 | 7.9° | 60.0° |
| N3 | C20 | C19 | C17 | 168.4° | 95.0° |
| N3 | C20 | C19 | H9 | 70.5° | 25.0° |
| N3 | C20 | C19 | H10 | 47.5° | 145.0° |
| C20 | N3 | C22 | H12 | 178.4° | 179.9° |
| N3 | C20 | C21 | H14 | 179.4° | 179.9° |
| C20 | C19 | C17 | H9 | 121.0° | 120.0° |
| C20 | C19 | C17 | H10 | 121.0° | 120.0° |
| C20 | C19 | C17 | C18 | 140.4° | 175.0° |
| C20 | C19 | C17 | H8 | 23.0° | 55.0° |
| C20 | C19 | H9 | H10 | 116.9° | 120.0° |
| C19 | C20 | N3 | H11 | 3.5° | 0.0° |
| C19 | C20 | C21 | H14 | 2.8° | 0.3° |
| C19 | C17 | C18 | H8 | 117.5° | 120.0° |
| C19 | C17 | C18 | O1 | 39.1° | 120.0° |
| C19 | C17 | C18 | H7 | 140.9° | 60.1° |
| C17 | C19 | H9 | H10 | 116.9° | 120.1° |
| C19 | C17 | N1 | H15 | 59.7° | 31.1° |
| C17 | C18 | O1 | H7 | 180.0° | 179.9° |
| C18 | C17 | C19 | H9 | 19.4° | 65.0° |
| C18 | C17 | C19 | H10 | 98.6° | 55.0° |
| C18 | C17 | N1 | H15 | 174.6° | 151.0° |
| O1 | C18 | C17 | H8 | 78.4° | 120.0° |
| H1 | C2 | C3 | H2 | 0.6° | 0.1° |
| H3 | C5 | C6 | H4 | 0.2° | 0.0° |
| H5 | C7 | C8 | H31 | 56.4° | 174.7° |
| H6 | C7 | C8 | H31 | 176.5° | 54.4° |
| H7 | C18 | C17 | H8 | 101.6° | 59.9° |
| H8 | C17 | C19 | H9 | 98.0° | 175.0° |
| H8 | C17 | C19 | H10 | 144.0° | 64.9° |
| H8 | C17 | N1 | H15 | 55.0° | 89.0° |
| H11 | N3 | C22 | H12 | 1.6° | 0.1° |
| H15 | N1 | C16 | H17 | 129.9° | 63.9° |
| H15 | N1 | C16 | H18 | 112.3° | 176.1° |
| H17 | C16 | C15 | H19 | 169.5° | 175.0° |
| H18 | C16 | C15 | H19 | 72.6° | 55.0° |
| H19 | C15 | C14 | H20 | 71.6° | 65.4° |
| H19 | C15 | C14 | H21 | 46.9° | 54.7° |
| H20 | C14 | C13 | H22 | 51.9° | 61.1° |
| H21 | C14 | C13 | H22 | 170.4° | 178.8° |
| H22 | C13 | C12 | H23 | 178.1° | 59.7° |
| H22 | C13 | C12 | H24 | 62.4° | 179.6° |
| H22 | C13 | C8 | H31 | 175.7° | 179.1° |
| H23 | C12 | C11 | H25 | 174.4° | 60.2° |
| H23 | C12 | C11 | H26 | 54.9° | 59.9° |
| H24 | C12 | C11 | H25 | 55.0° | 179.9° |
| H24 | C12 | C11 | H26 | 64.5° | 60.0° |
| H25 | C11 | C10 | H27 | 50.2° | 60.2° |
| H25 | C11 | C10 | H28 | 169.1° | 179.8° |
| H26 | C11 | C10 | H27 | 69.3° | 59.8° |
| H26 | C11 | C10 | H28 | 49.6° | 60.2° |
| H27 | C10 | C9 | H29 | 68.1° | 60.0° |
| H27 | C10 | C9 | H30 | 51.2° | 59.9° |
| H28 | C10 | C9 | H29 | 50.8° | 179.9° |
| H28 | C10 | C9 | H30 | 170.1° | 60.1° |
| H29 | C9 | C8 | H31 | 58.9° | 179.5° |
| H30 | C9 | C8 | H31 | 178.2° | 59.5° |
