A1AVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | N7 | sing | 1.39Å | 1.43Å | |
| C4 | O16 | sing | 1.36Å | 1.38Å | |
| C17 | O16 | sing | 1.36Å | 1.37Å | |
| N5 | N6 | doub | 1.29Å | 1.34Å | Aromatic |
| N7 | C8 | sing | 1.48Å | 1.46Å | |
| N7 | C10 | sing | 1.48Å | 1.45Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.54Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | sing | 1.54Å | 1.54Å | |
| C27 | C33 | sing | 1.55Å | 1.54Å | |
| C30 | C31 | sing | 1.54Å | 1.55Å | |
| C31 | C32 | sing | 1.55Å | 1.54Å | |
| C32 | C33 | sing | 1.54Å | 1.53Å | |
| C12 | N13 | sing | 1.47Å | 1.48Å | |
| C14 | N13 | sing | 1.47Å | 1.49Å | |
| C34 | N13 | sing | 1.47Å | 1.49Å | |
| C18 | C24 | sing | 1.48Å | 1.50Å | |
| C20 | F23 | sing | 1.35Å | 1.34Å | |
| C24 | N25 | sing | 1.35Å | 1.35Å | |
| C24 | O26 | doub | 1.22Å | 1.23Å | |
| N25 | C27 | sing | 1.49Å | 1.46Å | |
| N25 | C31 | sing | 1.48Å | 1.46Å | |
| C28 | O29 | sing | 1.43Å | 1.44Å | |
| C30 | O29 | sing | 1.43Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| C35 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | N6 | 125.7° | 121.1° |
| C1 | N2 | C3 | 117.0° | 119.4° |
| N2 | C1 | H14 | 117.2° | 119.4° |
| C1 | N6 | N5 | 118.3° | 121.6° |
| N6 | C1 | H14 | 117.2° | 119.4° |
| N2 | C3 | C4 | 118.3° | 118.5° |
| N2 | C3 | N7 | 115.4° | 120.8° |
| N5 | C4 | C3 | 121.7° | 118.9° |
| N5 | C4 | O16 | 118.1° | 120.6° |
| C4 | N5 | N6 | 119.1° | 120.5° |
| C4 | C3 | N7 | 126.2° | 120.8° |
| C3 | C4 | O16 | 120.2° | 120.6° |
| C18 | C17 | C22 | 120.6° | 119.7° |
| C17 | C18 | C19 | 120.4° | 119.7° |
| C18 | C17 | O16 | 117.0° | 120.1° |
| C17 | C18 | C24 | 118.1° | 120.2° |
| C17 | C22 | C21 | 119.4° | 120.1° |
| C22 | C17 | O16 | 122.4° | 120.1° |
| C17 | C22 | H13 | 120.3° | 120.0° |
| C18 | C19 | C20 | 118.7° | 119.9° |
| C19 | C18 | C24 | 121.5° | 120.1° |
| C18 | C19 | H15 | 120.6° | 120.1° |
| C19 | C20 | C21 | 121.3° | 120.3° |
| C19 | C20 | F23 | 119.2° | 119.9° |
| C20 | C19 | H15 | 120.7° | 120.1° |
| C20 | C21 | C22 | 119.6° | 120.3° |
| C21 | C20 | F23 | 119.5° | 119.8° |
| C20 | C21 | H16 | 120.2° | 119.8° |
| C21 | C22 | H13 | 120.3° | 119.9° |
| C22 | C21 | H16 | 120.2° | 119.9° |
| C3 | N7 | C8 | 122.1° | 111.0° |
| C3 | N7 | C10 | 119.1° | 111.0° |
| C4 | O16 | C17 | 125.2° | 118.0° |
| C8 | N7 | C10 | 92.9° | 90.8° |
| N7 | C8 | C9 | 88.1° | 86.0° |
| N7 | C8 | H11 | 114.5° | 113.7° |
| N7 | C8 | H12 | 114.5° | 113.9° |
| N7 | C10 | C9 | 87.9° | 86.0° |
| N7 | C10 | H9 | 114.5° | 113.8° |
| N7 | C10 | H10 | 114.6° | 113.9° |
| C8 | C9 | C10 | 86.6° | 86.9° |
| C8 | C9 | C11 | 116.6° | 113.7° |
| C8 | C9 | C15 | 116.0° | 113.7° |
| C9 | C8 | H11 | 114.5° | 113.8° |
| C9 | C8 | H12 | 114.5° | 113.8° |
| C10 | C9 | C11 | 118.4° | 113.7° |
| C10 | C9 | C15 | 114.4° | 113.7° |
| C9 | C10 | H9 | 114.5° | 113.8° |
| C9 | C10 | H10 | 114.6° | 113.8° |
| C11 | C9 | C15 | 104.8° | 112.8° |
| C9 | C11 | C12 | 113.4° | 109.0° |
| C9 | C11 | H7 | 108.5° | 109.5° |
| C9 | C11 | H8 | 108.5° | 109.7° |
| C9 | C15 | C14 | 111.8° | 109.0° |
| C9 | C15 | H5 | 108.9° | 109.6° |
| C9 | C15 | H6 | 108.9° | 109.6° |
| C11 | C12 | N13 | 111.9° | 109.4° |
| C11 | C12 | H3 | 108.9° | 109.5° |
| C11 | C12 | H4 | 108.9° | 109.5° |
| C12 | C11 | H7 | 108.5° | 109.5° |
| C12 | C11 | H8 | 108.4° | 109.5° |
| C15 | C14 | N13 | 110.3° | 109.4° |
| C15 | C14 | H1 | 109.3° | 109.5° |
| C15 | C14 | H2 | 109.2° | 109.5° |
| C14 | C15 | H5 | 108.9° | 109.6° |
| C14 | C15 | H6 | 108.9° | 109.5° |
| C28 | C27 | C33 | 108.9° | 107.6° |
| C28 | C27 | N25 | 103.2° | 106.8° |
| C27 | C28 | O29 | 110.0° | 108.8° |
| C28 | C27 | H17 | 112.4° | 112.4° |
| C27 | C28 | H18 | 109.3° | 109.5° |
| C27 | C28 | H19 | 109.3° | 109.5° |
| C27 | C33 | C32 | 105.0° | 104.6° |
| C33 | C27 | N25 | 105.5° | 104.0° |
| C33 | C27 | H17 | 112.5° | 112.5° |
| C27 | C33 | H25 | 110.6° | 110.4° |
| C27 | C33 | H26 | 110.6° | 110.4° |
| C30 | C31 | C32 | 107.5° | 107.6° |
| C30 | C31 | N25 | 104.7° | 106.9° |
| C31 | C30 | O29 | 111.5° | 108.8° |
| C31 | C30 | H20 | 109.0° | 109.5° |
| C31 | C30 | H21 | 109.0° | 109.6° |
| C30 | C31 | H22 | 112.5° | 112.3° |
| C31 | C32 | C33 | 104.3° | 104.6° |
| C32 | C31 | N25 | 105.0° | 104.0° |
| C32 | C31 | H22 | 112.6° | 112.4° |
| C31 | C32 | H23 | 110.7° | 110.4° |
| C31 | C32 | H24 | 110.7° | 110.4° |
| C33 | C32 | H23 | 110.8° | 110.4° |
| C33 | C32 | H24 | 110.8° | 110.5° |
| C32 | C33 | H25 | 110.6° | 110.4° |
| C32 | C33 | H26 | 110.6° | 110.4° |
| C12 | N13 | C14 | 110.4° | 111.5° |
| C12 | N13 | C34 | 112.2° | 111.0° |
| N13 | C12 | H3 | 108.9° | 109.5° |
| N13 | C12 | H4 | 108.8° | 109.4° |
| C14 | N13 | C34 | 113.4° | 111.0° |
| N13 | C14 | H1 | 109.3° | 109.5° |
| N13 | C14 | H2 | 109.3° | 109.5° |
| N13 | C34 | C35 | 115.8° | 109.4° |
| N13 | C34 | H27 | 107.8° | 109.4° |
| N13 | C34 | H28 | 107.8° | 109.5° |
| C18 | C24 | N25 | 118.2° | 120.1° |
| C18 | C24 | O26 | 118.1° | 120.0° |
| N25 | C24 | O26 | 122.2° | 120.0° |
| C24 | N25 | C27 | 125.4° | 128.5° |
| C24 | N25 | C31 | 127.9° | 128.5° |
| C27 | N25 | C31 | 104.7° | 103.0° |
| N25 | C27 | H17 | 113.8° | 113.0° |
| N25 | C31 | H22 | 113.8° | 113.1° |
| C28 | O29 | C30 | 116.2° | 114.6° |
| O29 | C28 | H18 | 109.3° | 109.6° |
| O29 | C28 | H19 | 109.3° | 109.6° |
| O29 | C30 | H20 | 109.0° | 109.6° |
| O29 | C30 | H21 | 109.0° | 109.6° |
| C34 | C35 | C36 | 112.5° | 115.5° |
| C34 | C35 | C37 | 117.6° | 117.5° |
| C34 | C35 | C38 | 120.2° | 117.5° |
| C35 | C34 | H27 | 107.8° | 109.5° |
| C35 | C34 | H28 | 107.9° | 109.5° |
| C36 | C35 | C37 | 118.7° | 117.5° |
| C36 | C35 | C38 | 118.7° | 117.6° |
| C35 | C36 | H29 | 109.5° | 109.5° |
| C35 | C36 | H30 | 109.5° | 109.4° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C37 | C35 | C38 | 59.7° | 60.0° |
| C35 | C37 | C38 | 60.3° | 60.0° |
| C35 | C37 | H32 | 120.0° | 117.5° |
| C35 | C37 | H33 | 120.0° | 117.5° |
| C35 | C38 | C37 | 60.0° | 60.0° |
| C35 | C38 | H34 | 120.0° | 117.5° |
| C35 | C38 | H35 | 120.0° | 117.5° |
| C38 | C37 | H32 | 120.0° | 117.5° |
| C38 | C37 | H33 | 120.0° | 117.5° |
| C37 | C38 | H34 | 120.0° | 117.5° |
| C37 | C38 | H35 | 120.0° | 117.5° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.6° |
| H7 | C11 | H8 | 109.5° | 109.6° |
| H9 | C10 | H10 | 109.5° | 112.9° |
| H11 | C8 | H12 | 109.5° | 113.0° |
| H18 | C28 | H19 | 109.5° | 109.7° |
| H20 | C30 | H21 | 109.5° | 109.7° |
| H23 | C32 | H24 | 109.5° | 110.5° |
| H25 | C33 | H26 | 109.4° | 110.4° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.4° |
| H32 | C37 | H33 | 109.4° | 115.6° |
| H34 | C38 | H35 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | N6 | H14 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 1.3° | 0.1° |
| C1 | N2 | C3 | N7 | 178.7° | 180.0° |
| N2 | C1 | N6 | N5 | 0.2° | 0.1° |
| N6 | C1 | N2 | C3 | 0.7° | 0.1° |
| C1 | N6 | N5 | C4 | 0.3° | 0.0° |
| N2 | C3 | C4 | N5 | 1.4° | 0.1° |
| N2 | C3 | C4 | N7 | 177.1° | 179.9° |
| N2 | C3 | C4 | O16 | 179.4° | 180.0° |
| N2 | C3 | N7 | C8 | 164.6° | 0.0° |
| N2 | C3 | N7 | C10 | 49.8° | 99.4° |
| C3 | N2 | C1 | H14 | 179.3° | 180.0° |
| N5 | C4 | C3 | O16 | 178.0° | 179.9° |
| N5 | C4 | C3 | N7 | 178.6° | 180.0° |
| N5 | C4 | O16 | C17 | 22.9° | 3.8° |
| C3 | C4 | O16 | C17 | 159.1° | 176.2° |
| C3 | C4 | N5 | N6 | 1.0° | 0.0° |
| C4 | C3 | N7 | C8 | 18.2° | 179.9° |
| C4 | C3 | N7 | C10 | 133.0° | 80.5° |
| C18 | C17 | C22 | O16 | 178.7° | 179.9° |
| C17 | C18 | C19 | C24 | 179.7° | 179.7° |
| C17 | C18 | C19 | C20 | 0.2° | 0.3° |
| C18 | C17 | C22 | C21 | 0.5° | 0.0° |
| C18 | C17 | O16 | C4 | 104.7° | 82.7° |
| C17 | C18 | C24 | N25 | 70.6° | 144.9° |
| C17 | C18 | C24 | O26 | 95.8° | 35.1° |
| C18 | C17 | C22 | H13 | 179.5° | 179.9° |
| C17 | C18 | C19 | H15 | 179.8° | 179.7° |
| C22 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C22 | C21 | C20 | 0.3° | 0.3° |
| C17 | C22 | C21 | H13 | 180.0° | 179.9° |
| C22 | C17 | O16 | C4 | 76.5° | 97.4° |
| C22 | C17 | C18 | C24 | 179.5° | 179.7° |
| C17 | C22 | C21 | H16 | 179.7° | 179.7° |
| C18 | C19 | C20 | H15 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.5° |
| C19 | C18 | C17 | O16 | 179.0° | 180.0° |
| C18 | C19 | C20 | F23 | 179.9° | 180.0° |
| C19 | C18 | C24 | N25 | 109.7° | 34.7° |
| C19 | C18 | C24 | O26 | 83.9° | 145.3° |
| C19 | C20 | C21 | F23 | 179.5° | 179.5° |
| C19 | C20 | C21 | C22 | 0.1° | 0.5° |
| C20 | C19 | C18 | C24 | 179.9° | 179.9° |
| C19 | C20 | C21 | H16 | 179.9° | 180.0° |
| C20 | C21 | C22 | H16 | 180.0° | 179.4° |
| C20 | C21 | C22 | H13 | 179.7° | 179.8° |
| C21 | C20 | C19 | H15 | 179.6° | 179.4° |
| C21 | C22 | C17 | O16 | 179.2° | 180.0° |
| C22 | C21 | C20 | F23 | 179.6° | 180.0° |
| N7 | C3 | C4 | O16 | 3.4° | 0.1° |
| C3 | N7 | C8 | C10 | 127.4° | 112.9° |
| C3 | N7 | C8 | C9 | 143.7° | 137.3° |
| C3 | N7 | C10 | C9 | 145.8° | 137.3° |
| C3 | N7 | C10 | H9 | 98.0° | 23.0° |
| C3 | N7 | C10 | H10 | 29.7° | 108.4° |
| C3 | N7 | C8 | H11 | 27.5° | 108.5° |
| C3 | N7 | C8 | H12 | 100.1° | 22.9° |
| O16 | C4 | N5 | N6 | 179.0° | 180.0° |
| O16 | C17 | C18 | C24 | 0.7° | 0.4° |
| O16 | C17 | C22 | H13 | 0.8° | 0.1° |
| N5 | N6 | C1 | H14 | 179.8° | 179.9° |
| N7 | C8 | C9 | H11 | 116.2° | 114.2° |
| N7 | C8 | C9 | H12 | 116.2° | 114.4° |
| C8 | N7 | C10 | C9 | 16.2° | 24.3° |
| N7 | C8 | C9 | C11 | 104.9° | 91.1° |
| N7 | C8 | C9 | C15 | 130.9° | 138.0° |
| C8 | N7 | C10 | H9 | 132.3° | 89.9° |
| C8 | N7 | C10 | H10 | 99.9° | 138.7° |
| N7 | C8 | H11 | H12 | 130.1° | 131.8° |
| N7 | C10 | C9 | H9 | 116.1° | 114.3° |
| N7 | C10 | C9 | H10 | 116.2° | 114.4° |
| N7 | C10 | C9 | C11 | 103.2° | 91.1° |
| N7 | C10 | C9 | C15 | 132.5° | 138.0° |
| N7 | C10 | H9 | H10 | 130.2° | 131.9° |
| C10 | N7 | C8 | H11 | 99.9° | 138.6° |
| C10 | N7 | C8 | H12 | 132.5° | 90.0° |
| C8 | C9 | C10 | C11 | 118.6° | 114.6° |
| C8 | C9 | C10 | C15 | 117.1° | 114.5° |
| C8 | C9 | C11 | C15 | 129.8° | 131.3° |
| C8 | C9 | C11 | C12 | 174.4° | 174.9° |
| C8 | C9 | C15 | C14 | 170.6° | 174.9° |
| C8 | C9 | C15 | H5 | 50.2° | 65.2° |
| C8 | C9 | C15 | H6 | 69.1° | 55.1° |
| C8 | C9 | C11 | H7 | 65.0° | 55.2° |
| C8 | C9 | C11 | H8 | 53.9° | 65.2° |
| C8 | C9 | C10 | H9 | 131.5° | 90.8° |
| C8 | C9 | C10 | H10 | 100.8° | 137.9° |
| C9 | C8 | H11 | H12 | 130.2° | 131.8° |
| C10 | C9 | C11 | C15 | 128.9° | 131.3° |
| C10 | C9 | C11 | C12 | 73.1° | 77.6° |
| C10 | C9 | C15 | C14 | 72.0° | 77.6° |
| C10 | C9 | C15 | H5 | 48.3° | 162.5° |
| C10 | C9 | C15 | H6 | 167.7° | 42.3° |
| C10 | C9 | C11 | H7 | 166.3° | 42.2° |
| C10 | C9 | C11 | H8 | 47.4° | 162.5° |
| C9 | C10 | H9 | H10 | 130.3° | 131.7° |
| C10 | C9 | C8 | H11 | 100.8° | 137.7° |
| C10 | C9 | C8 | H12 | 131.5° | 90.9° |
| C9 | C11 | C12 | H7 | 120.6° | 119.8° |
| C9 | C11 | C12 | H8 | 120.6° | 120.0° |
| C11 | C9 | C15 | C14 | 59.3° | 53.8° |
| C9 | C11 | C12 | N13 | 55.5° | 56.8° |
| C9 | C11 | C12 | H3 | 175.9° | 176.8° |
| C9 | C11 | C12 | H4 | 64.8° | 63.1° |
| C11 | C9 | C15 | H5 | 179.6° | 66.1° |
| C11 | C9 | C15 | H6 | 61.0° | 173.6° |
| C9 | C11 | H7 | H8 | 118.2° | 120.4° |
| C11 | C9 | C10 | H9 | 12.9° | 154.6° |
| C11 | C9 | C10 | H10 | 140.6° | 23.3° |
| C11 | C9 | C8 | H11 | 138.9° | 23.1° |
| C11 | C9 | C8 | H12 | 11.3° | 154.6° |
| C15 | C9 | C11 | C12 | 55.8° | 53.7° |
| C9 | C15 | C14 | H5 | 120.3° | 119.9° |
| C9 | C15 | C14 | H6 | 120.3° | 119.9° |
| C9 | C15 | C14 | N13 | 62.8° | 56.9° |
| C9 | C15 | C14 | H1 | 57.4° | 63.1° |
| C9 | C15 | C14 | H2 | 177.1° | 176.8° |
| C9 | C15 | H5 | H6 | 119.0° | 120.3° |
| C15 | C9 | C11 | H7 | 64.8° | 173.5° |
| C15 | C9 | C11 | H8 | 176.3° | 66.2° |
| C15 | C9 | C10 | H9 | 111.4° | 23.7° |
| C15 | C9 | C10 | H10 | 16.3° | 107.6° |
| C15 | C9 | C8 | H11 | 14.7° | 107.8° |
| C15 | C9 | C8 | H12 | 113.0° | 23.7° |
| C11 | C12 | N13 | H3 | 120.4° | 120.0° |
| C11 | C12 | N13 | H4 | 120.4° | 120.0° |
| C11 | C12 | N13 | C14 | 54.1° | 63.6° |
| C11 | C12 | N13 | C34 | 178.3° | 172.2° |
| C11 | C12 | H3 | H4 | 118.9° | 120.1° |
| C12 | C11 | H7 | H8 | 118.2° | 120.2° |
| C15 | C14 | N13 | C12 | 57.6° | 63.6° |
| C15 | C14 | N13 | H1 | 120.1° | 120.0° |
| C15 | C14 | N13 | H2 | 120.1° | 119.9° |
| C15 | C14 | N13 | C34 | 175.5° | 172.1° |
| C15 | C14 | H1 | H2 | 119.6° | 120.0° |
| C14 | C15 | H5 | H6 | 119.0° | 120.2° |
| C28 | C27 | C33 | N25 | 110.2° | 113.0° |
| C28 | C27 | C33 | H17 | 125.2° | 124.3° |
| C28 | C27 | C33 | C32 | 89.2° | 86.9° |
| C28 | C27 | N25 | C24 | 88.4° | 109.6° |
| C28 | C27 | N25 | H17 | 122.1° | 124.1° |
| C28 | C27 | N25 | C31 | 76.6° | 70.4° |
| C27 | C28 | O29 | H18 | 120.1° | 119.8° |
| C27 | C28 | O29 | H19 | 120.1° | 119.8° |
| C27 | C28 | O29 | C30 | 47.7° | 54.4° |
| C27 | C28 | H18 | H19 | 119.8° | 120.3° |
| C28 | C27 | C33 | H25 | 151.4° | 154.3° |
| C28 | C27 | C33 | H26 | 30.0° | 31.9° |
| C27 | C33 | C32 | C31 | 2.7° | 0.0° |
| C27 | C33 | C32 | H25 | 119.3° | 118.8° |
| C27 | C33 | C32 | H26 | 119.3° | 118.8° |
| C33 | C27 | N25 | C24 | 157.4° | 136.8° |
| C33 | C27 | N25 | H17 | 123.8° | 122.3° |
| C33 | C27 | N25 | C31 | 37.5° | 43.1° |
| C33 | C27 | C28 | O29 | 50.2° | 49.1° |
| C33 | C27 | C28 | H18 | 69.9° | 70.7° |
| C33 | C27 | C28 | H19 | 170.2° | 168.9° |
| C27 | C33 | C32 | H23 | 121.9° | 118.7° |
| C27 | C33 | C32 | H24 | 116.5° | 118.8° |
| C27 | C33 | H25 | H26 | 122.1° | 122.4° |
| C30 | C31 | C32 | N25 | 111.1° | 113.1° |
| C30 | C31 | C32 | H22 | 124.5° | 124.2° |
| C30 | C31 | C32 | C33 | 85.8° | 87.0° |
| C30 | C31 | N25 | C24 | 90.7° | 109.6° |
| C30 | C31 | N25 | C27 | 73.8° | 70.5° |
| C30 | C31 | N25 | H22 | 123.3° | 124.1° |
| C31 | C30 | O29 | C28 | 45.0° | 54.3° |
| C31 | C30 | O29 | H20 | 120.3° | 119.8° |
| C31 | C30 | O29 | H21 | 120.3° | 119.8° |
| C31 | C30 | H20 | H21 | 119.1° | 120.3° |
| C30 | C31 | C32 | H23 | 33.4° | 31.8° |
| C30 | C31 | C32 | H24 | 155.0° | 154.2° |
| C31 | C32 | C33 | H23 | 119.2° | 118.7° |
| C31 | C32 | C33 | H24 | 119.2° | 118.8° |
| C32 | C31 | N25 | C24 | 156.2° | 136.8° |
| C32 | C31 | N25 | C27 | 39.3° | 43.2° |
| C32 | C31 | N25 | H22 | 123.6° | 122.2° |
| C32 | C31 | C30 | O29 | 55.4° | 49.2° |
| C32 | C31 | C30 | H20 | 175.7° | 168.9° |
| C32 | C31 | C30 | H21 | 64.9° | 70.7° |
| C31 | C32 | H23 | H24 | 122.4° | 122.4° |
| C31 | C32 | C33 | H25 | 122.0° | 118.8° |
| C31 | C32 | C33 | H26 | 116.6° | 118.8° |
| C32 | C33 | C27 | N25 | 20.9° | 26.1° |
| C33 | C32 | C31 | N25 | 25.3° | 26.2° |
| C32 | C33 | C27 | H17 | 145.5° | 148.7° |
| C33 | C32 | C31 | H22 | 149.7° | 148.8° |
| C33 | C32 | H23 | H24 | 122.4° | 122.5° |
| C32 | C33 | H25 | H26 | 122.0° | 122.4° |
| C12 | N13 | C14 | C34 | 126.9° | 124.3° |
| C12 | N13 | C34 | C35 | 175.5° | 159.9° |
| C12 | N13 | C14 | H1 | 62.5° | 56.4° |
| C12 | N13 | C14 | H2 | 177.7° | 176.5° |
| N13 | C12 | H3 | H4 | 118.9° | 120.0° |
| N13 | C12 | C11 | H7 | 65.0° | 176.6° |
| N13 | C12 | C11 | H8 | 176.1° | 63.2° |
| C12 | N13 | C34 | H27 | 63.6° | 80.2° |
| C12 | N13 | C34 | H28 | 54.5° | 39.9° |
| C14 | N13 | C34 | C35 | 49.5° | 75.6° |
| N13 | C14 | H1 | H2 | 119.6° | 120.0° |
| C14 | N13 | C12 | H3 | 174.5° | 176.5° |
| C14 | N13 | C12 | H4 | 66.2° | 56.4° |
| N13 | C14 | C15 | H5 | 176.9° | 63.1° |
| N13 | C14 | C15 | H6 | 57.6° | 176.7° |
| C14 | N13 | C34 | H27 | 170.4° | 44.4° |
| C14 | N13 | C34 | H28 | 71.4° | 164.4° |
| N13 | C34 | C35 | H27 | 120.9° | 120.0° |
| N13 | C34 | C35 | H28 | 120.9° | 120.0° |
| N13 | C34 | C35 | C36 | 65.0° | 39.4° |
| N13 | C34 | C35 | C37 | 151.5° | 175.0° |
| N13 | C34 | C35 | C38 | 82.3° | 106.4° |
| C34 | N13 | C14 | H1 | 64.4° | 67.8° |
| C34 | N13 | C14 | H2 | 55.4° | 52.2° |
| C34 | N13 | C12 | H3 | 57.9° | 52.2° |
| C34 | N13 | C12 | H4 | 61.4° | 67.9° |
| N13 | C34 | H27 | H28 | 117.1° | 120.0° |
| C18 | C24 | N25 | O26 | 165.8° | 180.0° |
| C18 | C24 | N25 | C27 | 176.1° | 175.3° |
| C18 | C24 | N25 | C31 | 22.4° | 4.7° |
| C24 | C18 | C19 | H15 | 0.1° | 0.0° |
| F23 | C20 | C19 | H15 | 0.1° | 0.1° |
| F23 | C20 | C21 | H16 | 0.4° | 0.5° |
| C24 | N25 | C27 | C31 | 165.1° | 180.0° |
| C24 | N25 | C27 | H17 | 33.7° | 14.5° |
| C24 | N25 | C31 | H22 | 32.6° | 14.6° |
| O26 | C24 | N25 | C27 | 10.2° | 4.7° |
| O26 | C24 | N25 | C31 | 171.8° | 175.3° |
| N25 | C27 | C28 | O29 | 61.6° | 62.0° |
| N25 | C27 | C28 | H18 | 178.4° | 178.2° |
| N25 | C27 | C28 | H19 | 58.5° | 57.8° |
| C27 | N25 | C31 | H22 | 162.9° | 165.4° |
| N25 | C27 | C33 | H25 | 98.4° | 92.7° |
| N25 | C27 | C33 | H26 | 140.2° | 144.9° |
| N25 | C31 | C30 | O29 | 55.9° | 62.0° |
| C31 | N25 | C27 | H17 | 161.3° | 165.4° |
| N25 | C31 | C30 | H20 | 64.4° | 57.8° |
| N25 | C31 | C30 | H21 | 176.2° | 178.2° |
| N25 | C31 | C32 | H23 | 144.5° | 144.9° |
| N25 | C31 | C32 | H24 | 93.9° | 92.7° |
| O29 | C28 | C27 | H17 | 175.5° | 173.5° |
| O29 | C28 | H18 | H19 | 119.8° | 120.4° |
| C28 | O29 | C30 | H20 | 75.3° | 65.4° |
| C28 | O29 | C30 | H21 | 165.3° | 174.1° |
| C30 | O29 | C28 | H18 | 167.8° | 174.1° |
| C30 | O29 | C28 | H19 | 72.3° | 65.4° |
| O29 | C30 | H20 | H21 | 119.1° | 120.4° |
| O29 | C30 | C31 | H22 | 179.9° | 173.4° |
| C34 | C35 | C36 | C37 | 143.0° | 145.6° |
| C34 | C35 | C36 | C38 | 147.8° | 145.8° |
| C34 | C35 | C37 | C38 | 110.6° | 107.5° |
| C35 | C34 | H27 | H28 | 117.1° | 120.0° |
| C34 | C35 | C36 | H29 | 180.0° | 65.6° |
| C34 | C35 | C36 | H30 | 60.0° | 174.3° |
| C34 | C35 | C36 | H31 | 60.0° | 54.4° |
| C34 | C35 | C37 | H32 | 139.9° | 145.0° |
| C34 | C35 | C37 | H33 | 1.0° | 0.1° |
| C34 | C35 | C38 | H34 | 3.1° | 0.0° |
| C34 | C35 | C38 | H35 | 144.2° | 145.1° |
| C36 | C35 | C37 | C38 | 108.3° | 107.6° |
| C36 | C35 | C34 | H27 | 55.9° | 159.4° |
| C36 | C35 | C34 | H28 | 174.1° | 80.6° |
| C35 | C36 | H29 | H30 | 120.0° | 120.0° |
| C35 | C36 | H29 | H31 | 120.0° | 120.0° |
| C35 | C36 | H30 | H31 | 120.0° | 119.9° |
| C36 | C35 | C37 | H32 | 1.3° | 0.1° |
| C36 | C35 | C37 | H33 | 142.2° | 145.0° |
| C36 | C35 | C38 | H34 | 142.2° | 145.0° |
| C36 | C35 | C38 | H35 | 1.1° | 0.0° |
| C35 | C37 | C38 | H32 | 109.5° | 107.5° |
| C35 | C37 | C38 | H33 | 109.6° | 107.5° |
| C37 | C35 | C34 | H27 | 87.6° | 55.0° |
| C37 | C35 | C34 | H28 | 30.6° | 65.0° |
| C37 | C35 | C36 | H29 | 37.0° | 79.9° |
| C37 | C35 | C36 | H30 | 157.0° | 40.1° |
| C37 | C35 | C36 | H31 | 83.0° | 160.0° |
| C35 | C37 | H32 | H33 | 144.6° | 145.8° |
| C37 | C35 | C38 | H34 | 109.5° | 107.5° |
| C37 | C35 | C38 | H35 | 109.5° | 107.5° |
| C38 | C35 | C34 | H27 | 156.8° | 13.6° |
| C38 | C35 | C34 | H28 | 38.6° | 133.6° |
| C38 | C35 | C36 | H29 | 32.1° | 148.6° |
| C38 | C35 | C36 | H30 | 87.8° | 28.6° |
| C38 | C35 | C36 | H31 | 152.2° | 91.3° |
| C35 | C38 | H34 | H35 | 144.7° | 145.7° |
| C38 | C37 | H32 | H33 | 144.6° | 145.7° |
| C37 | C38 | H34 | H35 | 144.7° | 145.6° |
| H1 | C14 | C15 | H5 | 63.0° | 176.9° |
| H1 | C14 | C15 | H6 | 177.7° | 56.7° |
| H2 | C14 | C15 | H5 | 56.8° | 56.9° |
| H2 | C14 | C15 | H6 | 62.5° | 63.3° |
| H3 | C12 | C11 | H7 | 55.3° | 63.4° |
| H3 | C12 | C11 | H8 | 63.5° | 56.8° |
| H4 | C12 | C11 | H7 | 174.6° | 56.7° |
| H4 | C12 | C11 | H8 | 55.8° | 176.9° |
| H13 | C22 | C21 | H16 | 0.3° | 0.4° |
| H17 | C27 | C28 | H18 | 55.4° | 53.6° |
| H17 | C27 | C28 | H19 | 64.5° | 66.7° |
| H17 | C27 | C33 | H25 | 26.2° | 29.9° |
| H17 | C27 | C33 | H26 | 95.2° | 92.5° |
| H20 | C30 | C31 | H22 | 59.7° | 66.8° |
| H21 | C30 | C31 | H22 | 59.6° | 53.6° |
| H22 | C31 | C32 | H23 | 91.1° | 92.4° |
| H22 | C31 | C32 | H24 | 30.5° | 30.0° |
| H23 | C32 | C33 | H25 | 118.8° | 122.5° |
| H23 | C32 | C33 | H26 | 2.5° | 0.0° |
| H24 | C32 | C33 | H25 | 2.8° | 0.0° |
| H24 | C32 | C33 | H26 | 124.2° | 122.5° |
| H29 | C36 | H30 | H31 | 120.0° | 120.0° |
| H32 | C37 | C38 | H34 | 141.0° | 145.0° |
| H32 | C37 | C38 | H35 | 0.0° | 0.0° |
| H33 | C37 | C38 | H34 | 0.1° | 0.0° |
| H33 | C37 | C38 | H35 | 140.9° | 145.0° |
