A1DAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL35 | C32 | sing | 1.74Å | 1.78Å | |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| CL37 | C03 | sing | 1.74Å | 1.78Å | |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C27 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| N26 | C27 | sing | 1.46Å | 1.45Å | |
| N26 | C04 | sing | 1.39Å | 1.45Å | |
| C30 | CL36 | sing | 1.74Å | 1.78Å | |
| C03 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | N05 | sing | 1.33Å | 1.32Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | N07 | doub | 1.32Å | 1.31Å | Aromatic |
| N05 | C06 | doub | 1.32Å | 1.32Å | Aromatic |
| N07 | C06 | sing | 1.32Å | 1.31Å | Aromatic |
| C06 | N08 | sing | 1.39Å | 1.45Å | |
| N08 | C11 | sing | 1.48Å | 1.48Å | |
| N08 | C09 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.54Å | 1.49Å | |
| C09 | C10 | sing | 1.54Å | 1.49Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C17 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C17 | N16 | sing | 1.47Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| N16 | C18 | sing | 1.47Å | 1.46Å | |
| N16 | C15 | sing | 1.47Å | 1.48Å | |
| C19 | C18 | sing | 1.54Å | 1.51Å | |
| C19 | C20 | sing | 1.54Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C21 | sing | 1.54Å | 1.51Å | |
| C20 | C21 | sing | 1.54Å | 1.51Å | |
| C20 | C23 | sing | 1.51Å | 1.47Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C23 | O24 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.26Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C33 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C01 | H28 | sing | 1.09Å | 1.10Å | |
| C01 | H29 | sing | 1.09Å | 1.10Å | |
| C01 | H30 | sing | 1.09Å | 1.10Å | |
| C09 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.09Å | 1.10Å | |
| N26 | H34 | sing | 0.97Å | 1.00Å | |
| O25 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL35 | C32 | C33 | 119.8° | 120.0° |
| CL35 | C32 | C31 | 120.1° | 120.0° |
| C32 | C33 | C34 | 119.7° | 120.0° |
| C33 | C32 | C31 | 120.1° | 120.0° |
| C32 | C33 | H26 | 120.2° | 120.1° |
| C33 | C34 | C29 | 120.2° | 120.1° |
| C34 | C33 | H26 | 120.2° | 119.9° |
| C33 | C34 | H27 | 119.9° | 120.0° |
| C32 | C31 | C30 | 120.1° | 119.9° |
| C32 | C31 | H25 | 119.9° | 120.0° |
| C34 | C29 | C30 | 120.2° | 120.0° |
| C34 | C29 | C27 | 119.4° | 120.0° |
| C29 | C34 | H27 | 119.9° | 119.9° |
| CL37 | C03 | C04 | 121.9° | 120.8° |
| CL37 | C03 | C02 | 119.4° | 120.8° |
| C31 | C30 | C29 | 119.7° | 120.0° |
| C31 | C30 | CL36 | 120.0° | 120.0° |
| C30 | C31 | H25 | 119.9° | 120.1° |
| C30 | C29 | C27 | 120.3° | 120.0° |
| C29 | C30 | CL36 | 120.3° | 120.0° |
| C29 | C27 | C28 | 108.7° | 109.5° |
| C29 | C27 | N26 | 108.4° | 109.4° |
| C29 | C27 | H21 | 109.8° | 109.4° |
| C28 | C27 | N26 | 109.4° | 109.5° |
| C28 | C27 | H21 | 109.7° | 109.5° |
| C27 | C28 | H22 | 109.5° | 109.5° |
| C27 | C28 | H23 | 109.4° | 109.5° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | N26 | C04 | 120.3° | 120.0° |
| N26 | C27 | H21 | 110.7° | 109.5° |
| C27 | N26 | H34 | 106.7° | 120.0° |
| N26 | C04 | C03 | 119.9° | 120.5° |
| N26 | C04 | N05 | 120.5° | 120.4° |
| C04 | N26 | H34 | 106.7° | 120.0° |
| C04 | C03 | C02 | 118.7° | 118.4° |
| C03 | C04 | N05 | 119.6° | 119.1° |
| C03 | C02 | C01 | 120.6° | 120.3° |
| C03 | C02 | N07 | 118.8° | 119.3° |
| C04 | N05 | C06 | 119.2° | 120.6° |
| C01 | C02 | N07 | 120.5° | 120.4° |
| C02 | C01 | H28 | 109.5° | 109.4° |
| C02 | C01 | H29 | 109.5° | 109.5° |
| C02 | C01 | H30 | 109.5° | 109.5° |
| C02 | N07 | C06 | 120.4° | 120.9° |
| N05 | C06 | N07 | 123.3° | 121.7° |
| N05 | C06 | N08 | 120.6° | 119.1° |
| N07 | C06 | N08 | 116.1° | 119.2° |
| C06 | N08 | C11 | 115.6° | 111.0° |
| C06 | N08 | C09 | 111.6° | 111.1° |
| C11 | N08 | C09 | 84.8° | 90.8° |
| N08 | C11 | C10 | 83.6° | 86.2° |
| N08 | C11 | H2 | 115.5° | 113.8° |
| N08 | C11 | H3 | 115.5° | 113.9° |
| N08 | C09 | C10 | 83.6° | 86.1° |
| N08 | C09 | H31 | 115.5° | 113.8° |
| N08 | C09 | H32 | 115.5° | 114.0° |
| C11 | C10 | C09 | 84.6° | 86.4° |
| C11 | C10 | C12 | 100.7° | 113.7° |
| C11 | C10 | H1 | 109.7° | 113.7° |
| C10 | C11 | H2 | 115.5° | 113.7° |
| C10 | C11 | H3 | 115.5° | 113.8° |
| C09 | C10 | C12 | 136.3° | 113.8° |
| C09 | C10 | H1 | 109.8° | 113.8° |
| C10 | C09 | H31 | 115.5° | 113.7° |
| C10 | C09 | H32 | 115.5° | 113.7° |
| C10 | C12 | C17 | 108.6° | 109.5° |
| C10 | C12 | C13 | 108.2° | 109.5° |
| C12 | C10 | H1 | 108.9° | 113.0° |
| C10 | C12 | H4 | 108.6° | 109.5° |
| C17 | C12 | C13 | 112.9° | 109.3° |
| C12 | C17 | N16 | 112.6° | 109.5° |
| C17 | C12 | H4 | 108.9° | 109.5° |
| C12 | C17 | H11 | 108.7° | 109.5° |
| C12 | C17 | H12 | 108.7° | 109.5° |
| C12 | C13 | C14 | 114.3° | 109.2° |
| C13 | C12 | H4 | 109.6° | 109.6° |
| C12 | C13 | H5 | 108.3° | 109.5° |
| C12 | C13 | H6 | 108.3° | 109.5° |
| C17 | N16 | C18 | 107.1° | 111.0° |
| C17 | N16 | C15 | 108.2° | 111.2° |
| N16 | C17 | H11 | 108.7° | 109.5° |
| N16 | C17 | H12 | 108.7° | 109.4° |
| C13 | C14 | C15 | 113.6° | 109.3° |
| C14 | C13 | H5 | 108.2° | 109.5° |
| C14 | C13 | H6 | 108.2° | 109.5° |
| C13 | C14 | H7 | 108.4° | 109.6° |
| C13 | C14 | H8 | 108.4° | 109.5° |
| C18 | N16 | C15 | 110.4° | 111.0° |
| N16 | C18 | C19 | 137.0° | 113.7° |
| N16 | C18 | C21 | 100.3° | 113.6° |
| N16 | C18 | H13 | 109.1° | 112.8° |
| N16 | C15 | C14 | 111.0° | 109.5° |
| N16 | C15 | H9 | 109.1° | 109.5° |
| N16 | C15 | H10 | 109.1° | 109.5° |
| C18 | C19 | C20 | 86.6° | 87.0° |
| C19 | C18 | C21 | 87.3° | 87.1° |
| C19 | C18 | H13 | 108.4° | 113.7° |
| C18 | C19 | H14 | 114.9° | 113.6° |
| C18 | C19 | H15 | 114.9° | 113.6° |
| C19 | C20 | C21 | 87.5° | 87.1° |
| C19 | C20 | C23 | 112.1° | 113.6° |
| C19 | C20 | C22 | 113.4° | 113.6° |
| C20 | C19 | H14 | 114.8° | 113.6° |
| C20 | C19 | H15 | 114.9° | 113.6° |
| C15 | C14 | H7 | 108.4° | 109.5° |
| C15 | C14 | H8 | 108.4° | 109.5° |
| C14 | C15 | H9 | 109.1° | 109.4° |
| C14 | C15 | H10 | 109.1° | 109.4° |
| C18 | C21 | C20 | 86.5° | 87.1° |
| C21 | C18 | H13 | 108.3° | 113.7° |
| C18 | C21 | H16 | 114.9° | 113.7° |
| C18 | C21 | H17 | 114.9° | 113.6° |
| C21 | C20 | C23 | 113.5° | 113.6° |
| C21 | C20 | C22 | 112.9° | 113.6° |
| C20 | C21 | H16 | 114.9° | 113.6° |
| C20 | C21 | H17 | 114.9° | 113.6° |
| C23 | C20 | C22 | 114.5° | 112.9° |
| C20 | C23 | O24 | 119.9° | 120.0° |
| C20 | C23 | O25 | 120.3° | 120.0° |
| C20 | C22 | H18 | 109.5° | 109.5° |
| C20 | C22 | H19 | 109.4° | 109.4° |
| C20 | C22 | H20 | 109.5° | 109.5° |
| O24 | C23 | O25 | 119.9° | 120.0° |
| C23 | O25 | H35 | 109.5° | 117.0° |
| H2 | C11 | H3 | 109.4° | 112.9° |
| H5 | C13 | H6 | 109.5° | 109.6° |
| H7 | C14 | H8 | 109.4° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 113.0° |
| H16 | C21 | H17 | 109.5° | 112.9° |
| H18 | C22 | H19 | 109.5° | 109.4° |
| H18 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.4° |
| H22 | C28 | H24 | 109.5° | 109.5° |
| H23 | C28 | H24 | 109.4° | 109.5° |
| H28 | C01 | H29 | 109.5° | 109.5° |
| H28 | C01 | H30 | 109.4° | 109.4° |
| H29 | C01 | H30 | 109.5° | 109.5° |
| H31 | C09 | H32 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL35 | C32 | C33 | C31 | 180.0° | 180.0° |
| CL35 | C32 | C33 | C34 | 179.9° | 179.7° |
| CL35 | C32 | C31 | C30 | 179.9° | 180.0° |
| CL35 | C32 | C31 | H25 | 0.1° | 0.0° |
| CL35 | C32 | C33 | H26 | 0.1° | 0.0° |
| C32 | C33 | C34 | H26 | 180.0° | 179.7° |
| C32 | C33 | C34 | C29 | 0.0° | 0.6° |
| C33 | C32 | C31 | C30 | 0.2° | 0.0° |
| C33 | C32 | C31 | H25 | 179.9° | 179.9° |
| C32 | C33 | C34 | H27 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.3° |
| C33 | C34 | C29 | H27 | 180.0° | 179.5° |
| C33 | C34 | C29 | C30 | 0.0° | 0.5° |
| C33 | C34 | C29 | C27 | 179.9° | 179.7° |
| C32 | C31 | C30 | H25 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 0.1° | 0.0° |
| C32 | C31 | C30 | CL36 | 179.9° | 180.0° |
| C31 | C32 | C33 | H26 | 179.9° | 180.0° |
| C34 | C29 | C30 | C31 | 0.0° | 0.3° |
| C34 | C29 | C30 | C27 | 179.8° | 179.7° |
| C34 | C29 | C27 | C28 | 89.0° | 95.3° |
| C34 | C29 | C27 | N26 | 29.8° | 24.7° |
| C34 | C29 | C30 | CL36 | 179.8° | 179.7° |
| C34 | C29 | C27 | H21 | 151.0° | 144.8° |
| C29 | C34 | C33 | H26 | 180.0° | 179.7° |
| CL37 | C03 | C04 | N26 | 0.3° | 0.0° |
| CL37 | C03 | C04 | C02 | 179.4° | 180.0° |
| CL37 | C03 | C04 | N05 | 179.4° | 180.0° |
| CL37 | C03 | C02 | C01 | 0.4° | 0.0° |
| CL37 | C03 | C02 | N07 | 179.6° | 179.8° |
| C31 | C30 | C29 | CL36 | 179.8° | 180.0° |
| C31 | C30 | C29 | C27 | 179.8° | 180.0° |
| C30 | C29 | C27 | C28 | 91.2° | 85.0° |
| C30 | C29 | C27 | N26 | 150.0° | 155.0° |
| C30 | C29 | C27 | H21 | 28.9° | 35.0° |
| C29 | C30 | C31 | H25 | 179.9° | 180.0° |
| C30 | C29 | C34 | H27 | 180.0° | 180.0° |
| C29 | C27 | C28 | N26 | 118.2° | 120.0° |
| C29 | C27 | C28 | H21 | 120.1° | 120.0° |
| C29 | C27 | N26 | H21 | 120.5° | 120.0° |
| C29 | C27 | N26 | C04 | 111.0° | 155.0° |
| C27 | C29 | C30 | CL36 | 0.0° | 0.0° |
| C29 | C27 | C28 | H22 | 180.0° | 60.0° |
| C29 | C27 | C28 | H23 | 60.0° | 60.0° |
| C29 | C27 | C28 | H24 | 60.0° | 180.0° |
| C27 | C29 | C34 | H27 | 0.1° | 0.3° |
| C29 | C27 | N26 | H34 | 127.5° | 25.0° |
| C28 | C27 | N26 | H21 | 121.0° | 120.0° |
| C28 | C27 | N26 | C04 | 130.6° | 85.0° |
| C27 | C28 | H22 | H23 | 120.0° | 120.0° |
| C27 | C28 | H22 | H24 | 120.1° | 120.0° |
| C27 | C28 | H23 | H24 | 120.0° | 120.0° |
| C28 | C27 | N26 | H34 | 9.0° | 94.9° |
| C27 | N26 | C04 | H34 | 121.5° | 179.9° |
| C27 | N26 | C04 | C03 | 179.0° | 180.0° |
| C27 | N26 | C04 | N05 | 0.7° | 0.1° |
| N26 | C27 | C28 | H22 | 61.8° | 179.9° |
| N26 | C27 | C28 | H23 | 178.2° | 60.0° |
| N26 | C27 | C28 | H24 | 58.2° | 60.0° |
| N26 | C04 | C03 | N05 | 179.7° | 180.0° |
| N26 | C04 | C03 | C02 | 179.8° | 180.0° |
| N26 | C04 | N05 | C06 | 179.6° | 180.0° |
| C04 | N26 | C27 | H21 | 9.5° | 35.1° |
| CL36 | C30 | C31 | H25 | 0.1° | 0.0° |
| C04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C04 | C03 | C02 | N07 | 0.1° | 0.3° |
| C03 | C04 | N05 | C06 | 0.1° | 0.0° |
| C03 | C04 | N26 | H34 | 59.5° | 0.0° |
| C02 | C03 | C04 | N05 | 0.0° | 0.0° |
| C03 | C02 | C01 | N07 | 180.0° | 179.8° |
| C03 | C02 | N07 | C06 | 0.5° | 0.6° |
| C03 | C02 | C01 | H28 | 180.0° | 89.8° |
| C03 | C02 | C01 | H29 | 60.0° | 30.2° |
| C03 | C02 | C01 | H30 | 60.0° | 150.3° |
| C04 | N05 | C06 | N07 | 0.5° | 0.3° |
| C04 | N05 | C06 | N08 | 179.4° | 180.0° |
| N05 | C04 | N26 | H34 | 120.8° | 180.0° |
| C01 | C02 | N07 | C06 | 179.5° | 179.7° |
| C02 | C01 | H28 | H29 | 120.0° | 120.0° |
| C02 | C01 | H28 | H30 | 120.0° | 120.0° |
| C02 | C01 | H29 | H30 | 120.0° | 120.1° |
| C02 | N07 | C06 | N05 | 0.7° | 0.6° |
| C02 | N07 | C06 | N08 | 179.6° | 179.7° |
| N07 | C02 | C01 | H28 | 0.0° | 90.0° |
| N07 | C02 | C01 | H29 | 120.0° | 150.0° |
| N07 | C02 | C01 | H30 | 120.0° | 29.9° |
| N05 | C06 | N07 | N08 | 178.9° | 179.7° |
| N05 | C06 | N08 | C11 | 36.8° | 180.0° |
| N05 | C06 | N08 | C09 | 131.5° | 80.5° |
| N07 | C06 | N08 | C11 | 144.2° | 0.3° |
| N07 | C06 | N08 | C09 | 49.6° | 99.1° |
| C06 | N08 | C11 | C09 | 111.5° | 113.0° |
| C06 | N08 | C11 | C10 | 146.9° | 137.6° |
| C06 | N08 | C09 | C10 | 151.1° | 137.5° |
| C06 | N08 | C11 | H2 | 31.7° | 108.1° |
| C06 | N08 | C11 | H3 | 97.8° | 23.3° |
| C06 | N08 | C09 | H31 | 93.7° | 23.3° |
| C06 | N08 | C09 | H32 | 35.8° | 108.2° |
| N08 | C11 | C10 | H2 | 115.2° | 114.3° |
| N08 | C11 | C10 | H3 | 115.2° | 114.5° |
| C11 | N08 | C09 | C10 | 35.6° | 24.6° |
| N08 | C11 | C10 | C12 | 171.6° | 138.1° |
| N08 | C11 | C10 | H1 | 73.6° | 90.8° |
| N08 | C11 | H2 | H3 | 132.4° | 131.8° |
| C11 | N08 | C09 | H31 | 150.8° | 89.6° |
| C11 | N08 | C09 | H32 | 79.7° | 138.9° |
| N08 | C09 | C10 | H31 | 115.2° | 114.3° |
| N08 | C09 | C10 | H32 | 115.2° | 114.5° |
| N08 | C09 | C10 | C12 | 135.2° | 138.0° |
| N08 | C09 | C10 | H1 | 73.7° | 90.7° |
| C09 | N08 | C11 | H2 | 79.8° | 138.9° |
| C09 | N08 | C11 | H3 | 150.7° | 89.7° |
| N08 | C09 | H31 | H32 | 132.4° | 132.0° |
| C11 | C10 | C09 | C12 | 99.8° | 114.4° |
| C11 | C10 | C09 | H1 | 109.0° | 114.4° |
| C11 | C10 | C12 | H1 | 115.4° | 131.5° |
| C11 | C10 | C12 | C17 | 147.3° | 178.1° |
| C11 | C10 | C12 | C13 | 89.8° | 62.1° |
| C10 | C11 | H2 | H3 | 132.4° | 131.6° |
| C11 | C10 | C12 | H4 | 29.1° | 58.0° |
| C11 | C10 | C09 | H31 | 150.6° | 90.7° |
| C11 | C10 | C09 | H32 | 79.8° | 138.2° |
| C09 | C10 | C12 | H1 | 151.3° | 131.7° |
| C09 | C10 | C12 | C17 | 54.0° | 81.3° |
| C09 | C10 | C12 | C13 | 176.8° | 158.9° |
| C09 | C10 | C11 | H2 | 79.8° | 138.0° |
| C09 | C10 | C11 | H3 | 150.7° | 90.8° |
| C09 | C10 | C12 | H4 | 64.3° | 38.8° |
| C10 | C09 | H31 | H32 | 132.4° | 131.6° |
| C10 | C12 | C17 | C13 | 120.0° | 119.9° |
| C10 | C12 | C17 | H4 | 118.1° | 120.1° |
| C10 | C12 | C13 | H4 | 118.3° | 120.1° |
| C10 | C12 | C17 | N16 | 122.4° | 179.1° |
| C10 | C12 | C13 | C14 | 74.1° | 177.6° |
| C12 | C10 | C11 | H2 | 56.4° | 107.6° |
| C12 | C10 | C11 | H3 | 73.2° | 23.6° |
| C10 | C12 | C13 | H5 | 165.3° | 62.6° |
| C10 | C12 | C13 | H6 | 46.6° | 57.7° |
| C10 | C12 | C17 | H11 | 1.9° | 59.1° |
| C10 | C12 | C17 | H12 | 117.2° | 60.9° |
| C12 | C10 | C09 | H31 | 109.5° | 23.7° |
| C12 | C10 | C09 | H32 | 20.0° | 107.5° |
| C17 | C12 | C13 | H4 | 121.5° | 120.0° |
| C12 | C17 | N16 | H11 | 120.5° | 120.0° |
| C12 | C17 | N16 | H12 | 120.5° | 120.0° |
| C17 | C12 | C13 | C14 | 46.2° | 57.7° |
| C12 | C17 | N16 | C18 | 175.6° | 174.2° |
| C12 | C17 | N16 | C15 | 56.6° | 61.8° |
| C17 | C12 | C10 | H1 | 97.3° | 50.4° |
| C17 | C12 | C13 | H5 | 74.5° | 177.5° |
| C17 | C12 | C13 | H6 | 166.9° | 62.2° |
| C12 | C17 | H11 | H12 | 118.5° | 120.0° |
| C13 | C12 | C17 | N16 | 2.3° | 59.2° |
| C12 | C13 | C14 | H5 | 120.7° | 119.9° |
| C12 | C13 | C14 | H6 | 120.7° | 119.9° |
| C12 | C13 | C14 | C15 | 39.5° | 57.7° |
| C13 | C12 | C10 | H1 | 25.6° | 69.4° |
| C12 | C13 | H5 | H6 | 117.8° | 120.2° |
| C12 | C13 | C14 | H7 | 160.1° | 62.3° |
| C12 | C13 | C14 | H8 | 81.1° | 177.6° |
| C13 | C12 | C17 | H11 | 118.1° | 60.8° |
| C13 | C12 | C17 | H12 | 122.8° | 179.1° |
| C17 | N16 | C18 | C15 | 117.6° | 124.2° |
| C17 | N16 | C18 | C19 | 90.6° | 82.5° |
| C17 | N16 | C15 | C14 | 63.4° | 61.8° |
| C17 | N16 | C18 | C21 | 172.2° | 180.0° |
| N16 | C17 | C12 | H4 | 119.5° | 60.8° |
| C17 | N16 | C15 | H9 | 56.8° | 178.2° |
| C17 | N16 | C15 | H10 | 176.4° | 58.2° |
| N16 | C17 | H11 | H12 | 118.6° | 119.9° |
| C17 | N16 | C18 | H13 | 58.6° | 48.8° |
| C13 | C14 | C15 | N16 | 15.4° | 59.2° |
| C13 | C14 | C15 | H7 | 120.6° | 120.0° |
| C13 | C14 | C15 | H8 | 120.6° | 119.9° |
| C14 | C13 | C12 | H4 | 167.7° | 62.3° |
| C14 | C13 | H5 | H6 | 117.8° | 120.2° |
| C13 | C14 | H7 | H8 | 118.1° | 120.1° |
| C13 | C14 | C15 | H9 | 104.9° | 179.2° |
| C13 | C14 | C15 | H10 | 135.6° | 60.8° |
| N16 | C18 | C19 | C21 | 102.3° | 114.5° |
| N16 | C18 | C19 | H13 | 149.3° | 130.8° |
| N16 | C18 | C19 | C20 | 128.1° | 140.0° |
| C18 | N16 | C15 | C14 | 179.7° | 174.2° |
| N16 | C18 | C21 | H13 | 114.2° | 130.8° |
| N16 | C18 | C21 | C20 | 163.2° | 140.1° |
| C18 | N16 | C15 | H9 | 60.0° | 54.2° |
| C18 | N16 | C15 | H10 | 59.5° | 65.8° |
| C18 | N16 | C17 | H11 | 55.1° | 65.8° |
| C18 | N16 | C17 | H12 | 63.9° | 54.2° |
| N16 | C18 | C19 | H14 | 116.1° | 105.5° |
| N16 | C18 | C19 | H15 | 12.2° | 25.5° |
| N16 | C18 | C21 | H16 | 47.4° | 25.5° |
| N16 | C18 | C21 | H17 | 80.9° | 105.4° |
| C15 | N16 | C18 | C19 | 151.9° | 153.3° |
| N16 | C15 | C14 | H9 | 120.2° | 120.0° |
| N16 | C15 | C14 | H10 | 120.2° | 120.0° |
| C15 | N16 | C18 | C21 | 54.7° | 55.8° |
| N16 | C15 | C14 | H7 | 105.3° | 60.8° |
| N16 | C15 | C14 | H8 | 136.0° | 179.1° |
| N16 | C15 | H9 | H10 | 119.3° | 120.0° |
| C15 | N16 | C17 | H11 | 63.8° | 58.3° |
| C15 | N16 | C17 | H12 | 177.1° | 178.3° |
| C15 | N16 | C18 | H13 | 59.0° | 75.4° |
| C18 | C19 | C20 | H14 | 115.9° | 114.5° |
| C18 | C19 | C20 | H15 | 115.9° | 114.6° |
| C19 | C18 | C21 | H13 | 108.5° | 114.6° |
| C18 | C19 | C20 | C21 | 25.9° | 25.5° |
| C18 | C19 | C20 | C23 | 88.5° | 89.1° |
| C18 | C19 | C20 | C22 | 139.9° | 140.0° |
| C18 | C19 | H14 | H15 | 130.9° | 131.3° |
| C19 | C18 | C21 | H16 | 89.9° | 89.1° |
| C19 | C18 | C21 | H17 | 141.8° | 140.0° |
| C19 | C20 | C21 | C23 | 113.1° | 114.6° |
| C19 | C20 | C21 | C22 | 114.4° | 114.5° |
| C19 | C20 | C23 | C22 | 131.1° | 131.2° |
| C19 | C20 | C23 | O24 | 83.5° | 0.0° |
| C19 | C20 | C23 | O25 | 96.6° | 179.9° |
| C20 | C19 | C18 | H13 | 82.6° | 89.2° |
| C20 | C19 | H14 | H15 | 130.9° | 131.2° |
| C19 | C20 | C21 | H16 | 90.0° | 89.1° |
| C19 | C20 | C21 | H17 | 141.7° | 140.0° |
| C19 | C20 | C22 | H18 | 180.0° | 60.1° |
| C19 | C20 | C22 | H19 | 60.0° | 180.0° |
| C19 | C20 | C22 | H20 | 60.0° | 60.0° |
| C15 | C14 | C13 | H5 | 81.2° | 177.6° |
| C15 | C14 | C13 | H6 | 160.2° | 62.2° |
| C15 | C14 | H7 | H8 | 118.1° | 120.1° |
| C14 | C15 | H9 | H10 | 119.3° | 119.9° |
| C18 | C21 | C20 | H16 | 115.9° | 114.6° |
| C18 | C21 | C20 | H17 | 115.9° | 114.5° |
| C18 | C21 | C20 | C23 | 87.3° | 89.1° |
| C18 | C21 | C20 | C22 | 140.3° | 140.0° |
| C21 | C18 | C19 | H14 | 141.6° | 140.0° |
| C21 | C18 | C19 | H15 | 90.1° | 89.0° |
| C18 | C21 | H16 | H17 | 130.9° | 131.3° |
| C21 | C20 | C23 | C22 | 131.7° | 131.3° |
| C21 | C20 | C23 | O24 | 179.3° | 97.5° |
| C21 | C20 | C23 | O25 | 0.7° | 82.6° |
| C20 | C21 | C18 | H13 | 82.6° | 89.1° |
| C21 | C20 | C19 | H14 | 141.8° | 140.0° |
| C21 | C20 | C19 | H15 | 89.9° | 89.1° |
| C20 | C21 | H16 | H17 | 130.9° | 131.2° |
| C21 | C20 | C22 | H18 | 82.4° | 37.4° |
| C21 | C20 | C22 | H19 | 157.5° | 82.5° |
| C21 | C20 | C22 | H20 | 37.6° | 157.5° |
| C20 | C23 | O24 | O25 | 179.9° | 179.9° |
| C23 | C20 | C19 | H14 | 27.4° | 25.4° |
| C23 | C20 | C19 | H15 | 155.7° | 156.3° |
| C23 | C20 | C21 | H16 | 156.9° | 156.3° |
| C23 | C20 | C21 | H17 | 28.6° | 25.4° |
| C23 | C20 | C22 | H18 | 49.5° | 168.7° |
| C23 | C20 | C22 | H19 | 70.5° | 48.8° |
| C23 | C20 | C22 | H20 | 169.6° | 71.2° |
| C20 | C23 | O25 | H35 | 180.0° | 180.0° |
| C22 | C20 | C23 | O24 | 47.6° | 131.2° |
| C22 | C20 | C23 | O25 | 132.4° | 48.7° |
| C22 | C20 | C19 | H14 | 104.2° | 105.5° |
| C22 | C20 | C19 | H15 | 24.0° | 25.4° |
| C22 | C20 | C21 | H16 | 24.4° | 25.4° |
| C22 | C20 | C21 | H17 | 103.9° | 105.5° |
| C20 | C22 | H18 | H19 | 120.0° | 119.9° |
| C20 | C22 | H18 | H20 | 120.0° | 120.1° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| O24 | C23 | O25 | H35 | 0.0° | 0.1° |
| H1 | C10 | C11 | H2 | 171.1° | 23.6° |
| H1 | C10 | C11 | H3 | 41.6° | 154.8° |
| H1 | C10 | C12 | H4 | 144.4° | 170.4° |
| H1 | C10 | C09 | H31 | 41.6° | 155.0° |
| H1 | C10 | C09 | H32 | 171.1° | 23.8° |
| H4 | C12 | C13 | H5 | 47.0° | 57.6° |
| H4 | C12 | C13 | H6 | 71.6° | 177.8° |
| H4 | C12 | C17 | H11 | 120.0° | 179.2° |
| H4 | C12 | C17 | H12 | 1.0° | 59.2° |
| H5 | C13 | C14 | H7 | 39.4° | 57.6° |
| H5 | C13 | C14 | H8 | 158.2° | 62.5° |
| H6 | C13 | C14 | H7 | 79.1° | 177.8° |
| H6 | C13 | C14 | H8 | 39.6° | 57.7° |
| H7 | C14 | C15 | H9 | 134.5° | 59.3° |
| H7 | C14 | C15 | H10 | 15.0° | 179.2° |
| H8 | C14 | C15 | H9 | 15.7° | 60.8° |
| H8 | C14 | C15 | H10 | 103.8° | 59.1° |
| H13 | C18 | C19 | H14 | 33.2° | 25.3° |
| H13 | C18 | C19 | H15 | 161.5° | 156.3° |
| H13 | C18 | C21 | H16 | 161.6° | 156.3° |
| H13 | C18 | C21 | H17 | 33.3° | 25.4° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | C28 | H22 | 59.9° | 60.0° |
| H21 | C27 | C28 | H23 | 60.1° | 179.9° |
| H21 | C27 | C28 | H24 | 179.9° | 60.1° |
| H21 | C27 | N26 | H34 | 112.0° | 145.0° |
| H22 | C28 | H23 | H24 | 120.0° | 120.0° |
| H26 | C33 | C34 | H27 | 0.0° | 0.2° |
| H28 | C01 | H29 | H30 | 120.0° | 120.0° |
