A1IMP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O38 | C37 | sing | 1.43Å | 1.40Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | N34 | sing | 1.46Å | 1.48Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N34 | C02 | sing | 1.35Å | 1.40Å | |
| N34 | C33 | sing | 1.34Å | 1.49Å | |
| CL28 | C27 | sing | 1.74Å | 1.76Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.45Å | |
| O39 | C33 | doub | 1.22Å | 1.22Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | N31 | sing | 1.35Å | 1.50Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | N22 | sing | 1.39Å | 1.44Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.46Å | 1.47Å | |
| N31 | C04 | sing | 1.39Å | 1.36Å | |
| N31 | C32 | sing | 1.46Å | 1.47Å | |
| N22 | C06 | sing | 1.35Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.33Å | 1.42Å | Aromatic |
| C06 | N05 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | O07 | sing | 1.35Å | 1.37Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| O07 | C08 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C20 | C17 | sing | 1.51Å | 1.51Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | N15 | sing | 1.48Å | 1.53Å | |
| C17 | N15 | sing | 1.48Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| N15 | O16 | sing | 1.46Å | 1.22Å | |
| C09 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| O16 | H31 | sing | 0.97Å | 0.95Å | |
| O38 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O38 | C37 | C36 | 108.1° | 109.5° |
| O38 | C37 | H29 | 109.8° | 109.5° |
| O38 | C37 | H30 | 109.8° | 109.4° |
| C37 | O38 | H32 | 109.5° | 114.0° |
| C37 | C36 | C35 | 108.7° | 109.5° |
| C37 | C36 | H27 | 109.6° | 109.5° |
| C37 | C36 | H28 | 109.7° | 109.4° |
| C36 | C37 | H29 | 109.8° | 109.5° |
| C36 | C37 | H30 | 109.8° | 109.5° |
| C36 | C35 | N34 | 113.3° | 109.5° |
| C36 | C35 | H25 | 108.5° | 109.5° |
| C36 | C35 | H26 | 108.5° | 109.5° |
| C35 | C36 | H27 | 109.7° | 109.5° |
| C35 | C36 | H28 | 109.6° | 109.5° |
| C35 | N34 | C02 | 119.7° | 119.6° |
| C35 | N34 | C33 | 117.9° | 119.5° |
| N34 | C35 | H25 | 108.5° | 109.4° |
| N34 | C35 | H26 | 108.5° | 109.5° |
| O01 | C02 | N34 | 121.1° | 120.3° |
| O01 | C02 | C03 | 122.9° | 120.4° |
| C25 | C26 | C27 | 118.5° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C26 | C25 | H18 | 119.9° | 120.0° |
| C25 | C26 | H19 | 120.8° | 120.0° |
| C26 | C27 | CL28 | 118.6° | 120.0° |
| C26 | C27 | C29 | 122.6° | 120.0° |
| C27 | C26 | H19 | 120.7° | 120.0° |
| C02 | N34 | C33 | 122.4° | 121.0° |
| N34 | C02 | C03 | 116.0° | 119.3° |
| N34 | C33 | O39 | 121.1° | 119.2° |
| N34 | C33 | N31 | 118.2° | 121.7° |
| CL28 | C27 | C29 | 118.8° | 120.0° |
| C25 | C24 | C23 | 120.5° | 119.9° |
| C25 | C24 | C30 | 119.7° | 120.1° |
| C24 | C25 | H18 | 119.9° | 120.0° |
| C02 | C03 | N22 | 131.0° | 134.5° |
| C02 | C03 | C04 | 122.8° | 119.2° |
| O39 | C33 | N31 | 120.7° | 119.1° |
| C27 | C29 | C30 | 118.0° | 120.0° |
| C27 | C29 | H20 | 120.9° | 120.0° |
| C33 | N31 | C04 | 117.6° | 120.0° |
| C33 | N31 | C32 | 122.0° | 120.0° |
| C23 | C24 | C30 | 119.8° | 120.0° |
| C24 | C23 | N22 | 113.4° | 109.5° |
| C24 | C23 | H16 | 108.5° | 109.5° |
| C24 | C23 | H17 | 108.5° | 109.4° |
| C24 | C30 | C29 | 120.9° | 120.0° |
| C24 | C30 | H21 | 119.6° | 120.0° |
| N22 | C03 | C04 | 106.2° | 106.3° |
| C03 | N22 | C23 | 126.8° | 126.5° |
| C03 | N22 | C06 | 105.1° | 106.9° |
| C03 | C04 | N31 | 123.0° | 118.8° |
| C03 | C04 | N05 | 109.8° | 107.4° |
| C30 | C29 | H20 | 121.0° | 120.0° |
| C29 | C30 | H21 | 119.6° | 120.0° |
| C23 | N22 | C06 | 128.2° | 126.6° |
| N22 | C23 | H16 | 108.5° | 109.5° |
| N22 | C23 | H17 | 108.5° | 109.5° |
| C04 | N31 | C32 | 120.4° | 119.9° |
| N31 | C04 | N05 | 127.2° | 133.8° |
| N31 | C32 | H22 | 109.5° | 109.4° |
| N31 | C32 | H23 | 109.5° | 109.5° |
| N31 | C32 | H24 | 109.5° | 109.5° |
| N22 | C06 | N05 | 114.0° | 109.5° |
| N22 | C06 | O07 | 122.0° | 125.2° |
| C04 | N05 | C06 | 104.9° | 109.9° |
| N05 | C06 | O07 | 124.0° | 125.2° |
| C06 | O07 | C08 | 118.5° | 118.0° |
| C10 | C09 | C08 | 119.9° | 120.0° |
| C09 | C10 | C11 | 119.0° | 120.1° |
| C10 | C09 | H1 | 120.0° | 120.0° |
| C09 | C10 | H2 | 120.5° | 120.0° |
| C09 | C08 | O07 | 118.8° | 120.1° |
| C09 | C08 | C21 | 121.6° | 119.9° |
| C08 | C09 | H1 | 120.0° | 120.0° |
| O07 | C08 | C21 | 119.6° | 120.0° |
| C10 | C11 | C20 | 121.2° | 120.0° |
| C10 | C11 | C12 | 126.3° | 131.8° |
| C11 | C10 | H2 | 120.5° | 119.9° |
| C08 | C21 | C20 | 117.7° | 120.0° |
| C08 | C21 | H15 | 121.1° | 120.0° |
| C20 | C11 | C12 | 112.5° | 108.2° |
| C11 | C20 | C21 | 120.5° | 120.0° |
| C11 | C20 | C17 | 110.4° | 108.3° |
| C11 | C12 | C13 | 112.1° | 110.2° |
| C11 | C12 | C14 | 111.6° | 110.2° |
| C11 | C12 | N15 | 102.3° | 105.7° |
| C21 | C20 | C17 | 129.0° | 131.7° |
| C20 | C21 | H15 | 121.2° | 120.0° |
| C13 | C12 | C14 | 110.1° | 110.2° |
| C13 | C12 | N15 | 112.4° | 110.2° |
| C12 | C13 | H3 | 109.5° | 109.4° |
| C12 | C13 | H4 | 109.4° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C20 | C17 | N15 | 102.8° | 105.7° |
| C20 | C17 | C18 | 111.3° | 110.2° |
| C20 | C17 | C19 | 114.9° | 110.3° |
| C14 | C12 | N15 | 108.1° | 110.2° |
| C12 | C14 | H6 | 109.5° | 109.4° |
| C12 | C14 | H7 | 109.5° | 109.5° |
| C12 | C14 | H8 | 109.5° | 109.5° |
| C12 | N15 | C17 | 109.2° | 103.9° |
| C12 | N15 | O16 | 121.6° | 111.0° |
| N15 | C17 | C18 | 106.5° | 110.2° |
| N15 | C17 | C19 | 111.2° | 110.2° |
| C17 | N15 | O16 | 121.8° | 111.0° |
| C18 | C17 | C19 | 109.7° | 110.2° |
| C17 | C18 | H9 | 109.5° | 109.5° |
| C17 | C18 | H10 | 109.5° | 109.5° |
| C17 | C18 | H11 | 109.5° | 109.5° |
| C17 | C19 | H12 | 109.5° | 109.5° |
| C17 | C19 | H13 | 109.5° | 109.5° |
| C17 | C19 | H14 | 109.5° | 109.4° |
| N15 | O16 | H31 | 109.5° | 114.0° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H5 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.5° |
| H6 | C14 | H8 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.6° |
| H9 | C18 | H10 | 109.4° | 109.5° |
| H9 | C18 | H11 | 109.5° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.4° |
| H12 | C19 | H14 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.4° | 109.5° |
| H25 | C35 | H26 | 109.4° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H29 | C37 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O38 | C37 | C36 | H29 | 119.8° | 120.0° |
| O38 | C37 | C36 | H30 | 119.8° | 120.0° |
| O38 | C37 | C36 | C35 | 30.1° | 180.0° |
| O38 | C37 | C36 | H27 | 89.8° | 60.0° |
| O38 | C37 | C36 | H28 | 150.0° | 60.0° |
| O38 | C37 | H29 | H30 | 120.6° | 120.0° |
| C37 | C36 | C35 | H27 | 119.9° | 120.1° |
| C37 | C36 | C35 | H28 | 119.9° | 120.0° |
| C37 | C36 | C35 | N34 | 176.9° | 180.0° |
| C37 | C36 | C35 | H25 | 56.3° | 60.0° |
| C37 | C36 | C35 | H26 | 62.5° | 59.9° |
| C37 | C36 | H27 | H28 | 120.3° | 120.0° |
| C36 | C37 | H29 | H30 | 120.6° | 120.0° |
| C36 | C37 | O38 | H32 | 180.0° | 180.0° |
| C36 | C35 | N34 | H25 | 120.6° | 120.0° |
| C36 | C35 | N34 | H26 | 120.6° | 120.0° |
| C36 | C35 | N34 | C02 | 95.4° | 90.0° |
| C36 | C35 | N34 | C33 | 84.2° | 90.1° |
| C36 | C35 | H25 | H26 | 118.3° | 120.0° |
| C35 | C36 | H27 | H28 | 120.3° | 120.0° |
| C35 | C36 | C37 | H29 | 149.9° | 60.0° |
| C35 | C36 | C37 | H30 | 89.7° | 60.1° |
| C35 | N34 | C02 | O01 | 0.3° | 0.2° |
| C35 | N34 | C02 | C33 | 179.6° | 180.0° |
| C35 | N34 | C02 | C03 | 179.7° | 180.0° |
| C35 | N34 | C33 | O39 | 0.3° | 0.0° |
| C35 | N34 | C33 | N31 | 179.8° | 180.0° |
| N34 | C35 | H25 | H26 | 118.3° | 120.0° |
| N34 | C35 | C36 | H27 | 63.2° | 59.9° |
| N34 | C35 | C36 | H28 | 57.0° | 60.0° |
| O01 | C02 | N34 | C03 | 180.0° | 179.7° |
| O01 | C02 | N34 | C33 | 180.0° | 179.7° |
| O01 | C02 | C03 | N22 | 0.1° | 0.3° |
| O01 | C02 | C03 | C04 | 179.9° | 179.8° |
| C25 | C26 | C27 | H19 | 180.0° | 179.9° |
| C25 | C26 | C27 | CL28 | 179.9° | 180.0° |
| C26 | C25 | C24 | H18 | 180.0° | 180.0° |
| C25 | C26 | C27 | C29 | 0.1° | 0.0° |
| C26 | C25 | C24 | C23 | 179.9° | 180.0° |
| C26 | C25 | C24 | C30 | 0.2° | 0.2° |
| C26 | C27 | CL28 | C29 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C27 | C29 | C30 | 0.1° | 0.3° |
| C27 | C26 | C25 | H18 | 180.0° | 179.9° |
| C26 | C27 | C29 | H20 | 179.9° | 179.9° |
| C02 | N34 | C33 | O39 | 180.0° | 180.0° |
| C02 | N34 | C33 | N31 | 0.2° | 0.0° |
| N34 | C02 | C03 | N22 | 179.9° | 180.0° |
| N34 | C02 | C03 | C04 | 0.1° | 0.0° |
| C02 | N34 | C35 | H25 | 144.0° | 30.0° |
| C02 | N34 | C35 | H26 | 25.1° | 150.0° |
| C33 | N34 | C02 | C03 | 0.1° | 0.0° |
| N34 | C33 | O39 | N31 | 179.9° | 180.0° |
| N34 | C33 | N31 | C04 | 0.1° | 0.0° |
| N34 | C33 | N31 | C32 | 179.9° | 180.0° |
| C33 | N34 | C35 | H25 | 36.4° | 149.9° |
| C33 | N34 | C35 | H26 | 155.2° | 30.0° |
| CL28 | C27 | C29 | C30 | 179.9° | 179.7° |
| CL28 | C27 | C26 | H19 | 0.0° | 0.1° |
| CL28 | C27 | C29 | H20 | 0.1° | 0.0° |
| C25 | C24 | C23 | C30 | 179.8° | 179.8° |
| C25 | C24 | C30 | C29 | 0.4° | 0.5° |
| C25 | C24 | C23 | N22 | 86.9° | 89.8° |
| C25 | C24 | C23 | H16 | 33.7° | 30.3° |
| C25 | C24 | C23 | H17 | 152.5° | 150.3° |
| C24 | C25 | C26 | H19 | 180.0° | 180.0° |
| C25 | C24 | C30 | H21 | 179.6° | 179.7° |
| C02 | C03 | N22 | C04 | 179.8° | 180.0° |
| C02 | C03 | N22 | C23 | 0.1° | 0.0° |
| C02 | C03 | C04 | N31 | 0.1° | 0.1° |
| C02 | C03 | N22 | C06 | 179.9° | 180.0° |
| C02 | C03 | C04 | N05 | 179.9° | 180.0° |
| O39 | C33 | N31 | C04 | 180.0° | 179.9° |
| O39 | C33 | N31 | C32 | 0.0° | 0.1° |
| C27 | C29 | C30 | C24 | 0.3° | 0.5° |
| C27 | C29 | C30 | H20 | 180.0° | 179.7° |
| C29 | C27 | C26 | H19 | 179.9° | 179.9° |
| C27 | C29 | C30 | H21 | 179.7° | 179.7° |
| C33 | N31 | C04 | C03 | 0.0° | 0.1° |
| C33 | N31 | C04 | C32 | 180.0° | 180.0° |
| C33 | N31 | C04 | N05 | 180.0° | 179.9° |
| C33 | N31 | C32 | H22 | 180.0° | 0.0° |
| C33 | N31 | C32 | H23 | 60.0° | 120.0° |
| C33 | N31 | C32 | H24 | 60.0° | 120.0° |
| C24 | C23 | N22 | C03 | 87.2° | 90.0° |
| C23 | C24 | C30 | C29 | 179.8° | 179.7° |
| C24 | C23 | N22 | H16 | 120.6° | 120.0° |
| C24 | C23 | N22 | H17 | 120.6° | 119.9° |
| C24 | C23 | N22 | C06 | 92.8° | 90.0° |
| C24 | C23 | H16 | H17 | 118.2° | 120.0° |
| C23 | C24 | C25 | H18 | 0.1° | 0.0° |
| C23 | C24 | C30 | H21 | 0.2° | 0.1° |
| C24 | C30 | C29 | H21 | 180.0° | 179.8° |
| C30 | C24 | C23 | N22 | 93.2° | 90.0° |
| C30 | C24 | C23 | H16 | 146.2° | 149.9° |
| C30 | C24 | C23 | H17 | 27.3° | 30.0° |
| C30 | C24 | C25 | H18 | 179.8° | 179.8° |
| C24 | C30 | C29 | H20 | 179.7° | 179.8° |
| C03 | N22 | C23 | C06 | 180.0° | 180.0° |
| N22 | C03 | C04 | N31 | 179.9° | 179.9° |
| N22 | C03 | C04 | N05 | 0.1° | 0.0° |
| C03 | N22 | C06 | N05 | 0.0° | 0.0° |
| C03 | N22 | C06 | O07 | 179.9° | 179.9° |
| C03 | N22 | C23 | H16 | 33.4° | 30.0° |
| C03 | N22 | C23 | H17 | 152.2° | 150.0° |
| C04 | C03 | N22 | C23 | 180.0° | 180.0° |
| C03 | C04 | N31 | N05 | 180.0° | 179.9° |
| C03 | C04 | N31 | C32 | 180.0° | 179.9° |
| C04 | C03 | N22 | C06 | 0.1° | 0.0° |
| C03 | C04 | N05 | C06 | 0.1° | 0.0° |
| C23 | N22 | C06 | N05 | 180.0° | 180.0° |
| C23 | N22 | C06 | O07 | 0.1° | 0.1° |
| N22 | C23 | H16 | H17 | 118.2° | 120.0° |
| N31 | C04 | N05 | C06 | 180.0° | 179.9° |
| C04 | N31 | C32 | H22 | 0.0° | 180.0° |
| C04 | N31 | C32 | H23 | 120.0° | 60.0° |
| C04 | N31 | C32 | H24 | 120.0° | 60.0° |
| C32 | N31 | C04 | N05 | 0.0° | 0.0° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H24 | 120.0° | 120.0° |
| N31 | C32 | H23 | H24 | 120.0° | 120.0° |
| N22 | C06 | N05 | C04 | 0.0° | 0.0° |
| N22 | C06 | N05 | O07 | 179.9° | 179.9° |
| N22 | C06 | O07 | C08 | 119.5° | 175.3° |
| C06 | N22 | C23 | H16 | 146.7° | 150.0° |
| C06 | N22 | C23 | H17 | 27.8° | 30.0° |
| C04 | N05 | C06 | O07 | 179.9° | 179.9° |
| N05 | C06 | O07 | C08 | 60.4° | 4.8° |
| C06 | O07 | C08 | C09 | 57.6° | 76.9° |
| C06 | O07 | C08 | C21 | 122.5° | 103.3° |
| C10 | C09 | C08 | H1 | 180.0° | 180.0° |
| C10 | C09 | C08 | O07 | 179.9° | 179.7° |
| C09 | C10 | C11 | H2 | 180.0° | 179.9° |
| C10 | C09 | C08 | C21 | 0.1° | 0.0° |
| C09 | C10 | C11 | C20 | 0.2° | 0.0° |
| C09 | C10 | C11 | C12 | 179.9° | 180.0° |
| C09 | C08 | O07 | C21 | 180.0° | 179.7° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C08 | C21 | C20 | 0.0° | 0.0° |
| C08 | C09 | C10 | H2 | 179.9° | 179.9° |
| C09 | C08 | C21 | H15 | 180.0° | 179.9° |
| O07 | C08 | C21 | C20 | 180.0° | 179.7° |
| O07 | C08 | C09 | H1 | 0.1° | 0.3° |
| O07 | C08 | C21 | H15 | 0.0° | 0.4° |
| C10 | C11 | C20 | C12 | 179.7° | 180.0° |
| C10 | C11 | C20 | C21 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 49.5° | 43.4° |
| C10 | C11 | C20 | C17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 74.5° | 78.4° |
| C10 | C11 | C12 | N15 | 170.1° | 162.5° |
| C11 | C10 | C09 | H1 | 179.8° | 180.0° |
| C08 | C21 | C20 | C11 | 0.0° | 0.0° |
| C08 | C21 | C20 | H15 | 180.0° | 179.9° |
| C08 | C21 | C20 | C17 | 179.8° | 180.0° |
| C21 | C08 | C09 | H1 | 179.9° | 180.0° |
| C11 | C20 | C21 | C17 | 179.8° | 180.0° |
| C20 | C11 | C12 | C13 | 130.2° | 136.6° |
| C20 | C11 | C12 | C14 | 105.7° | 101.6° |
| C20 | C11 | C12 | N15 | 9.6° | 17.5° |
| C11 | C20 | C17 | N15 | 10.0° | 17.5° |
| C11 | C20 | C17 | C18 | 103.6° | 101.5° |
| C11 | C20 | C17 | C19 | 131.0° | 136.6° |
| C20 | C11 | C10 | H2 | 179.8° | 179.9° |
| C11 | C20 | C21 | H15 | 180.0° | 179.9° |
| C12 | C11 | C20 | C21 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 124.9° | 121.8° |
| C11 | C12 | C13 | N15 | 114.6° | 116.3° |
| C12 | C11 | C20 | C17 | 0.3° | 0.0° |
| C11 | C12 | C14 | N15 | 111.7° | 116.3° |
| C11 | C12 | N15 | C17 | 15.7° | 27.6° |
| C11 | C12 | N15 | O16 | 134.8° | 91.7° |
| C12 | C11 | C10 | H2 | 0.1° | 0.1° |
| C11 | C12 | C13 | H3 | 180.0° | 60.0° |
| C11 | C12 | C13 | H4 | 60.0° | 180.0° |
| C11 | C12 | C13 | H5 | 60.0° | 60.1° |
| C11 | C12 | C14 | H6 | 180.0° | 52.9° |
| C11 | C12 | C14 | H7 | 60.0° | 172.8° |
| C11 | C12 | C14 | H8 | 60.0° | 67.1° |
| C21 | C20 | C17 | N15 | 170.1° | 162.5° |
| C21 | C20 | C17 | C18 | 76.2° | 78.4° |
| C21 | C20 | C17 | C19 | 49.2° | 43.4° |
| C13 | C12 | C14 | N15 | 123.1° | 121.9° |
| C13 | C12 | N15 | C17 | 136.2° | 146.7° |
| C13 | C12 | N15 | O16 | 14.3° | 27.3° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | C14 | H6 | 54.8° | 174.7° |
| C13 | C12 | C14 | H7 | 65.2° | 65.4° |
| C13 | C12 | C14 | H8 | 174.8° | 54.8° |
| C20 | C17 | N15 | C12 | 16.0° | 27.6° |
| C20 | C17 | N15 | C18 | 117.1° | 119.0° |
| C20 | C17 | N15 | C19 | 123.5° | 119.2° |
| C20 | C17 | C18 | C19 | 128.3° | 121.9° |
| C20 | C17 | N15 | O16 | 134.4° | 91.7° |
| C20 | C17 | C18 | H9 | 180.0° | 48.7° |
| C20 | C17 | C18 | H10 | 60.0° | 71.3° |
| C20 | C17 | C18 | H11 | 60.0° | 168.7° |
| C20 | C17 | C19 | H12 | 180.0° | 177.8° |
| C20 | C17 | C19 | H13 | 60.0° | 62.3° |
| C20 | C17 | C19 | H14 | 60.0° | 57.8° |
| C17 | C20 | C21 | H15 | 0.2° | 0.1° |
| C14 | C12 | N15 | C17 | 102.1° | 91.4° |
| C14 | C12 | N15 | O16 | 107.3° | 149.2° |
| C14 | C12 | C13 | H3 | 55.1° | 61.8° |
| C14 | C12 | C13 | H4 | 175.1° | 58.1° |
| C14 | C12 | C13 | H5 | 64.9° | 178.1° |
| C12 | C14 | H6 | H7 | 120.0° | 119.9° |
| C12 | C14 | H6 | H8 | 120.0° | 120.0° |
| C12 | C14 | H7 | H8 | 120.0° | 120.1° |
| C12 | N15 | C17 | O16 | 150.4° | 119.4° |
| C12 | N15 | C17 | C18 | 101.1° | 91.4° |
| C12 | N15 | C17 | C19 | 139.5° | 146.8° |
| N15 | C12 | C13 | H3 | 65.4° | 176.3° |
| N15 | C12 | C13 | H4 | 54.6° | 63.8° |
| N15 | C12 | C13 | H5 | 174.6° | 56.2° |
| N15 | C12 | C14 | H6 | 68.3° | 63.4° |
| N15 | C12 | C14 | H7 | 171.7° | 56.5° |
| N15 | C12 | C14 | H8 | 51.7° | 176.6° |
| C12 | N15 | O16 | H31 | 180.0° | 59.9° |
| N15 | C17 | C18 | C19 | 120.4° | 121.9° |
| N15 | C17 | C18 | H9 | 68.6° | 67.5° |
| N15 | C17 | C18 | H10 | 51.3° | 172.4° |
| N15 | C17 | C18 | H11 | 171.4° | 52.4° |
| N15 | C17 | C19 | H12 | 63.7° | 61.5° |
| N15 | C17 | C19 | H13 | 176.3° | 178.6° |
| N15 | C17 | C19 | H14 | 56.3° | 58.5° |
| C17 | N15 | O16 | H31 | 33.1° | 174.9° |
| C18 | C17 | N15 | O16 | 108.5° | 149.2° |
| C17 | C18 | H9 | H10 | 120.0° | 120.0° |
| C17 | C18 | H9 | H11 | 120.0° | 120.0° |
| C17 | C18 | H10 | H11 | 120.0° | 120.0° |
| C18 | C17 | C19 | H12 | 53.8° | 60.4° |
| C18 | C17 | C19 | H13 | 66.3° | 59.6° |
| C18 | C17 | C19 | H14 | 173.7° | 179.6° |
| C19 | C17 | N15 | O16 | 10.9° | 27.4° |
| C19 | C17 | C18 | H9 | 51.8° | 170.6° |
| C19 | C17 | C18 | H10 | 171.7° | 50.6° |
| C19 | C17 | C18 | H11 | 68.3° | 69.4° |
| C17 | C19 | H12 | H13 | 120.0° | 120.0° |
| C17 | C19 | H12 | H14 | 120.0° | 120.0° |
| C17 | C19 | H13 | H14 | 120.0° | 120.0° |
| H1 | C09 | C10 | H2 | 0.1° | 0.1° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 119.9° | 120.0° |
| H9 | C18 | H10 | H11 | 120.0° | 119.9° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H18 | C25 | C26 | H19 | 0.0° | 0.0° |
| H20 | C29 | C30 | H21 | 0.3° | 0.0° |
| H22 | C32 | H23 | H24 | 120.0° | 120.0° |
| H25 | C35 | C36 | H27 | 176.2° | 60.1° |
| H25 | C35 | C36 | H28 | 63.6° | 180.0° |
| H26 | C35 | C36 | H27 | 57.3° | 180.0° |
| H26 | C35 | C36 | H28 | 177.6° | 60.1° |
| H27 | C36 | C37 | H29 | 30.1° | 180.0° |
| H27 | C36 | C37 | H30 | 150.5° | 60.0° |
| H28 | C36 | C37 | H29 | 90.2° | 60.0° |
| H28 | C36 | C37 | H30 | 30.2° | 179.9° |
| H29 | C37 | O38 | H32 | 60.2° | 60.0° |
| H30 | C37 | O38 | H32 | 60.1° | 60.0° |
