A1BK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | O31 | sing | 1.45Å | 1.41Å | |
| O33 | C30 | doub | 1.21Å | 1.21Å | |
| O31 | C30 | sing | 1.34Å | 1.36Å | |
| C30 | C02 | sing | 1.51Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C02 | O01 | sing | 1.43Å | 1.36Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| O28 | C09 | doub | 1.21Å | 1.22Å | |
| C03 | N08 | sing | 1.47Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.35Å | 1.37Å | |
| C09 | C10 | sing | 1.51Å | 1.56Å | |
| C10 | N16 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C05 | sing | 1.53Å | 1.53Å | |
| N16 | C17 | sing | 1.35Å | 1.39Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.45Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C17 | O02 | doub | 1.21Å | 1.21Å | |
| C25 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N26 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N26 | C37 | sing | 1.47Å | 1.48Å | |
| C37 | O38 | sing | 1.43Å | 1.41Å | |
| C37 | O46 | sing | 1.43Å | 1.41Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| N26 | H9 | sing | 1.01Å | 1.00Å | |
| O38 | H11 | sing | 0.97Å | 0.95Å | |
| O46 | H12 | sing | 0.97Å | 0.95Å | |
| N16 | H13 | sing | 0.97Å | 1.00Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N15 | H23 | sing | 1.01Å | 1.00Å | |
| N15 | H24 | sing | 1.01Å | 1.00Å | |
| C02 | H26 | sing | 1.09Å | 1.10Å | |
| C03 | H27 | sing | 1.09Å | 1.10Å | |
| C04 | H28 | sing | 1.09Å | 1.10Å | |
| C04 | H29 | sing | 1.09Å | 1.10Å | |
| C05 | H30 | sing | 1.09Å | 1.10Å | |
| C06 | H31 | sing | 1.09Å | 1.10Å | |
| C06 | H32 | sing | 1.09Å | 1.10Å | |
| C06 | H33 | sing | 1.09Å | 1.10Å | |
| C07 | H34 | sing | 1.09Å | 1.10Å | |
| C07 | H35 | sing | 1.09Å | 1.10Å | |
| C07 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| N08 | H40 | sing | 0.97Å | 1.00Å | |
| O01 | H41 | sing | 0.97Å | 0.95Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | O31 | C30 | 115.7° | 117.0° |
| O31 | C32 | H37 | 109.5° | 109.4° |
| O31 | C32 | H38 | 109.5° | 109.5° |
| O31 | C32 | H39 | 109.5° | 109.4° |
| O33 | C30 | O31 | 118.3° | 120.0° |
| O33 | C30 | C02 | 125.4° | 120.0° |
| O31 | C30 | C02 | 116.3° | 120.0° |
| C30 | C02 | O01 | 116.3° | 109.5° |
| C30 | C02 | C03 | 108.2° | 109.5° |
| C30 | C02 | H26 | 106.6° | 109.4° |
| C13 | C14 | N15 | 110.9° | 109.4° |
| C14 | C13 | C12 | 111.8° | 109.4° |
| C14 | C13 | H19 | 108.9° | 109.4° |
| C14 | C13 | H20 | 108.9° | 109.5° |
| C13 | C14 | H21 | 109.1° | 109.5° |
| C13 | C14 | H22 | 109.1° | 109.5° |
| N15 | C14 | H21 | 109.1° | 109.4° |
| N15 | C14 | H22 | 109.1° | 109.5° |
| C14 | N15 | H23 | 109.5° | 111.0° |
| C14 | N15 | H24 | 109.5° | 111.0° |
| C13 | C12 | C11 | 111.3° | 109.4° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C13 | C12 | H18 | 109.0° | 109.5° |
| C12 | C13 | H19 | 108.9° | 109.5° |
| C12 | C13 | H20 | 108.9° | 109.5° |
| O01 | C02 | C03 | 109.2° | 109.5° |
| O01 | C02 | H26 | 109.1° | 109.5° |
| C02 | O01 | H41 | 109.5° | 114.0° |
| C02 | C03 | N08 | 111.4° | 109.5° |
| C02 | C03 | C04 | 105.2° | 109.5° |
| C03 | C02 | H26 | 107.0° | 109.5° |
| C02 | C03 | H27 | 108.4° | 109.5° |
| C12 | C11 | C10 | 115.3° | 109.4° |
| C12 | C11 | H15 | 108.0° | 109.4° |
| C12 | C11 | H16 | 108.0° | 109.5° |
| C11 | C12 | H17 | 109.0° | 109.5° |
| C11 | C12 | H18 | 109.0° | 109.5° |
| C11 | C10 | C09 | 109.5° | 109.5° |
| C11 | C10 | N16 | 106.8° | 109.5° |
| C11 | C10 | H14 | 109.5° | 109.4° |
| C10 | C11 | H15 | 108.0° | 109.4° |
| C10 | C11 | H16 | 108.0° | 109.5° |
| O28 | C09 | N08 | 119.3° | 120.0° |
| O28 | C09 | C10 | 122.3° | 120.0° |
| N08 | C03 | C04 | 113.8° | 109.4° |
| C03 | N08 | C09 | 120.6° | 120.0° |
| N08 | C03 | H27 | 109.4° | 109.5° |
| C03 | N08 | H40 | 119.7° | 119.9° |
| C03 | C04 | C05 | 112.1° | 109.4° |
| C04 | C03 | H27 | 108.3° | 109.4° |
| C03 | C04 | H28 | 108.8° | 109.5° |
| C03 | C04 | H29 | 108.8° | 109.5° |
| N08 | C09 | C10 | 118.4° | 119.9° |
| C09 | N08 | H40 | 119.7° | 120.1° |
| C09 | C10 | N16 | 111.0° | 109.4° |
| C09 | C10 | H14 | 109.3° | 109.5° |
| C10 | N16 | C17 | 126.5° | 120.0° |
| C10 | N16 | H13 | 116.8° | 120.1° |
| N16 | C10 | H14 | 110.7° | 109.5° |
| C04 | C05 | C07 | 110.9° | 109.5° |
| C04 | C05 | C06 | 110.9° | 109.5° |
| C05 | C04 | H28 | 108.8° | 109.5° |
| C05 | C04 | H29 | 108.8° | 109.5° |
| C04 | C05 | H30 | 109.3° | 109.5° |
| C07 | C05 | C06 | 106.8° | 109.5° |
| C07 | C05 | H30 | 109.4° | 109.4° |
| C05 | C07 | H34 | 109.5° | 109.5° |
| C05 | C07 | H35 | 109.5° | 109.5° |
| C05 | C07 | H36 | 109.5° | 109.4° |
| N16 | C17 | C18 | 118.1° | 120.0° |
| N16 | C17 | O02 | 120.4° | 120.0° |
| C17 | N16 | H13 | 116.8° | 120.0° |
| C06 | C05 | H30 | 109.4° | 109.5° |
| C05 | C06 | H31 | 109.5° | 109.5° |
| C05 | C06 | H32 | 109.5° | 109.4° |
| C05 | C06 | H33 | 109.5° | 109.5° |
| C20 | C19 | C18 | 113.3° | 109.5° |
| C19 | C20 | C25 | 119.8° | 120.0° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C20 | C19 | H6 | 108.5° | 109.5° |
| C20 | C19 | H7 | 108.5° | 109.4° |
| C19 | C18 | C17 | 106.4° | 109.4° |
| C19 | C18 | N26 | 108.5° | 109.5° |
| C18 | C19 | H6 | 108.5° | 109.5° |
| C18 | C19 | H7 | 108.5° | 109.5° |
| C19 | C18 | H8 | 109.4° | 109.5° |
| C18 | C17 | O02 | 121.5° | 120.0° |
| C17 | C18 | N26 | 113.8° | 109.5° |
| C17 | C18 | H8 | 108.7° | 109.4° |
| C20 | C25 | C24 | 119.2° | 120.0° |
| C25 | C20 | C21 | 119.8° | 120.0° |
| C20 | C25 | H5 | 120.4° | 120.0° |
| C25 | C24 | C23 | 120.8° | 120.0° |
| C25 | C24 | H4 | 119.6° | 120.0° |
| C24 | C25 | H5 | 120.4° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.0° |
| C20 | C21 | H1 | 119.4° | 120.0° |
| C18 | N26 | C37 | 119.2° | 111.0° |
| N26 | C18 | H8 | 110.0° | 109.5° |
| C18 | N26 | H9 | 107.0° | 111.0° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C24 | C23 | H3 | 120.2° | 120.1° |
| C23 | C24 | H4 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.3° | 120.0° |
| C22 | C21 | H1 | 119.4° | 120.0° |
| C21 | C22 | H2 | 120.3° | 120.0° |
| C23 | C22 | H2 | 120.3° | 120.0° |
| C22 | C23 | H3 | 120.2° | 120.0° |
| N26 | C37 | O38 | 105.0° | 109.5° |
| N26 | C37 | O46 | 106.8° | 109.4° |
| C37 | N26 | H9 | 107.0° | 111.0° |
| N26 | C37 | H10 | 111.3° | 109.5° |
| O38 | C37 | O46 | 108.3° | 109.5° |
| C37 | O38 | H11 | 109.5° | 114.1° |
| O38 | C37 | H10 | 112.4° | 109.5° |
| C37 | O46 | H12 | 109.5° | 114.0° |
| O46 | C37 | H10 | 112.5° | 109.4° |
| H6 | C19 | H7 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.4° |
| H23 | N15 | H24 | 109.4° | 111.0° |
| H28 | C04 | H29 | 109.5° | 109.5° |
| H31 | C06 | H32 | 109.5° | 109.5° |
| H31 | C06 | H33 | 109.4° | 109.5° |
| H32 | C06 | H33 | 109.5° | 109.5° |
| H34 | C07 | H35 | 109.4° | 109.5° |
| H34 | C07 | H36 | 109.5° | 109.5° |
| H35 | C07 | H36 | 109.4° | 109.5° |
| H37 | C32 | H38 | 109.4° | 109.5° |
| H37 | C32 | H39 | 109.4° | 109.5° |
| H38 | C32 | H39 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | O31 | C30 | O33 | 22.0° | 0.0° |
| C32 | O31 | C30 | C02 | 157.1° | 180.0° |
| O31 | C32 | H37 | H38 | 120.0° | 120.0° |
| O31 | C32 | H37 | H39 | 120.0° | 119.9° |
| O31 | C32 | H38 | H39 | 120.0° | 120.0° |
| O33 | C30 | O31 | C02 | 179.1° | 180.0° |
| O33 | C30 | C02 | O01 | 165.9° | 5.0° |
| O33 | C30 | C02 | C03 | 70.8° | 115.0° |
| O33 | C30 | C02 | H26 | 44.0° | 125.0° |
| O31 | C30 | C02 | O01 | 15.1° | 175.0° |
| O31 | C30 | C02 | C03 | 108.1° | 65.0° |
| O31 | C30 | C02 | H26 | 137.0° | 55.0° |
| C30 | O31 | C32 | H37 | 180.0° | 60.1° |
| C30 | O31 | C32 | H38 | 60.0° | 60.0° |
| C30 | O31 | C32 | H39 | 60.0° | 180.0° |
| C30 | C02 | O01 | C03 | 122.7° | 120.0° |
| C30 | C02 | O01 | H26 | 120.6° | 120.0° |
| C30 | C02 | C03 | H26 | 114.5° | 119.9° |
| C30 | C02 | C03 | N08 | 55.9° | 60.1° |
| C30 | C02 | C03 | C04 | 179.7° | 180.0° |
| C30 | C02 | C03 | H27 | 64.6° | 60.0° |
| C30 | C02 | O01 | H41 | 180.0° | 60.0° |
| C13 | C14 | N15 | H21 | 120.2° | 120.0° |
| C13 | C14 | N15 | H22 | 120.2° | 120.1° |
| C14 | C13 | C12 | H19 | 120.4° | 119.9° |
| C14 | C13 | C12 | H20 | 120.4° | 120.0° |
| C14 | C13 | C12 | C11 | 166.1° | 180.0° |
| C14 | C13 | C12 | H17 | 73.6° | 60.0° |
| C14 | C13 | C12 | H18 | 45.8° | 60.0° |
| C14 | C13 | H19 | H20 | 118.9° | 120.0° |
| C13 | C14 | H21 | H22 | 119.4° | 120.0° |
| C13 | C14 | N15 | H23 | 180.0° | 180.0° |
| C13 | C14 | N15 | H24 | 60.0° | 56.1° |
| N15 | C14 | C13 | C12 | 116.1° | 180.0° |
| N15 | C14 | C13 | H19 | 123.5° | 60.1° |
| N15 | C14 | C13 | H20 | 4.3° | 60.0° |
| N15 | C14 | H21 | H22 | 119.3° | 120.0° |
| C14 | N15 | H23 | H24 | 120.0° | 123.9° |
| C13 | C12 | C11 | H17 | 120.3° | 120.0° |
| C13 | C12 | C11 | H18 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 152.8° | 180.0° |
| C13 | C12 | C11 | H15 | 86.4° | 60.0° |
| C13 | C12 | C11 | H16 | 31.9° | 60.0° |
| C13 | C12 | H17 | H18 | 119.2° | 120.0° |
| C12 | C13 | H19 | H20 | 118.9° | 120.0° |
| C12 | C13 | C14 | H21 | 123.7° | 60.0° |
| C12 | C13 | C14 | H22 | 4.1° | 60.0° |
| O01 | C02 | C03 | H26 | 118.0° | 120.0° |
| O01 | C02 | C03 | N08 | 71.6° | 60.0° |
| O01 | C02 | C03 | C04 | 52.2° | 60.0° |
| O01 | C02 | C03 | H27 | 167.9° | 180.0° |
| C02 | C03 | N08 | C04 | 118.8° | 120.0° |
| C02 | C03 | N08 | H27 | 119.9° | 120.1° |
| C02 | C03 | C04 | H27 | 115.8° | 120.1° |
| C02 | C03 | N08 | C09 | 111.9° | 151.1° |
| C02 | C03 | C04 | C05 | 160.9° | 65.3° |
| C02 | C03 | C04 | H28 | 78.7° | 174.7° |
| C02 | C03 | C04 | H29 | 40.5° | 54.7° |
| C02 | C03 | N08 | H40 | 68.1° | 28.9° |
| C03 | C02 | O01 | H41 | 57.3° | 60.0° |
| C12 | C11 | C10 | H15 | 120.8° | 119.9° |
| C12 | C11 | C10 | H16 | 120.8° | 120.1° |
| C12 | C11 | C10 | C09 | 116.1° | 175.0° |
| C12 | C11 | C10 | N16 | 123.6° | 65.0° |
| C12 | C11 | C10 | H14 | 3.7° | 55.1° |
| C12 | C11 | H15 | H16 | 117.3° | 120.1° |
| C11 | C12 | H17 | H18 | 119.1° | 120.1° |
| C11 | C12 | C13 | H19 | 45.8° | 60.1° |
| C11 | C12 | C13 | H20 | 73.5° | 60.0° |
| C11 | C10 | C09 | O28 | 66.1° | 120.0° |
| C11 | C10 | C09 | N08 | 113.5° | 60.0° |
| C11 | C10 | C09 | N16 | 117.6° | 120.0° |
| C11 | C10 | C09 | H14 | 119.9° | 120.0° |
| C11 | C10 | N16 | H14 | 119.1° | 120.0° |
| C11 | C10 | N16 | C17 | 166.0° | 85.0° |
| C11 | C10 | N16 | H13 | 14.0° | 95.0° |
| C10 | C11 | H15 | H16 | 117.4° | 120.0° |
| C10 | C11 | C12 | H17 | 32.5° | 60.0° |
| C10 | C11 | C12 | H18 | 86.9° | 60.0° |
| O28 | C09 | N08 | C03 | 0.1° | 5.0° |
| O28 | C09 | N08 | C10 | 179.7° | 180.0° |
| O28 | C09 | C10 | N16 | 51.5° | 0.0° |
| O28 | C09 | C10 | H14 | 173.9° | 120.1° |
| O28 | C09 | N08 | H40 | 179.9° | 174.9° |
| N08 | C03 | C04 | H27 | 121.9° | 120.0° |
| C03 | N08 | C09 | H40 | 180.0° | 180.0° |
| C03 | N08 | C09 | C10 | 179.5° | 175.0° |
| N08 | C03 | C04 | C05 | 76.8° | 174.7° |
| N08 | C03 | C02 | H26 | 170.4° | 180.0° |
| N08 | C03 | C04 | H28 | 43.6° | 54.7° |
| N08 | C03 | C04 | H29 | 162.8° | 65.3° |
| C04 | C03 | N08 | C09 | 129.3° | 88.9° |
| C03 | C04 | C05 | H28 | 120.4° | 120.0° |
| C03 | C04 | C05 | H29 | 120.4° | 120.0° |
| C03 | C04 | C05 | C07 | 36.9° | 174.2° |
| C03 | C04 | C05 | C06 | 81.6° | 65.8° |
| C04 | C03 | C02 | H26 | 65.8° | 60.0° |
| C03 | C04 | H28 | H29 | 118.8° | 120.0° |
| C03 | C04 | C05 | H30 | 157.6° | 54.2° |
| C04 | C03 | N08 | H40 | 50.7° | 91.1° |
| N08 | C09 | C10 | N16 | 128.9° | 180.0° |
| N08 | C09 | C10 | H14 | 6.4° | 60.0° |
| C09 | N08 | C03 | H27 | 8.0° | 31.0° |
| C09 | C10 | N16 | H14 | 121.6° | 120.0° |
| C09 | C10 | N16 | C17 | 74.8° | 155.0° |
| C09 | C10 | N16 | H13 | 105.2° | 25.0° |
| C09 | C10 | C11 | H15 | 4.7° | 65.0° |
| C09 | C10 | C11 | H16 | 123.0° | 55.0° |
| C10 | C09 | N08 | H40 | 0.5° | 5.0° |
| C10 | N16 | C17 | H13 | 180.0° | 180.0° |
| C10 | N16 | C17 | C18 | 179.1° | 180.0° |
| C10 | N16 | C17 | O02 | 0.9° | 0.0° |
| N16 | C10 | C11 | H15 | 115.6° | 54.9° |
| N16 | C10 | C11 | H16 | 2.8° | 174.9° |
| C04 | C05 | C07 | C06 | 121.0° | 120.0° |
| C04 | C05 | C07 | H30 | 120.7° | 120.0° |
| C04 | C05 | C06 | H30 | 120.7° | 120.0° |
| C05 | C04 | C03 | H27 | 45.1° | 54.8° |
| C05 | C04 | H28 | H29 | 118.8° | 120.0° |
| C04 | C05 | C06 | H31 | 180.0° | 55.4° |
| C04 | C05 | C06 | H32 | 60.0° | 64.6° |
| C04 | C05 | C06 | H33 | 60.0° | 175.5° |
| C04 | C05 | C07 | H34 | 180.0° | 60.0° |
| C04 | C05 | C07 | H35 | 60.0° | 180.0° |
| C04 | C05 | C07 | H36 | 60.0° | 60.0° |
| C07 | C05 | C06 | H30 | 118.3° | 119.9° |
| C07 | C05 | C04 | H28 | 157.3° | 65.8° |
| C07 | C05 | C04 | H29 | 83.4° | 54.2° |
| C07 | C05 | C06 | H31 | 59.1° | 175.5° |
| C07 | C05 | C06 | H32 | 61.0° | 55.5° |
| C07 | C05 | C06 | H33 | 179.0° | 64.5° |
| C05 | C07 | H34 | H35 | 120.0° | 120.0° |
| C05 | C07 | H34 | H36 | 120.0° | 120.0° |
| C05 | C07 | H35 | H36 | 120.0° | 119.9° |
| N16 | C17 | C18 | C19 | 64.2° | 76.3° |
| N16 | C17 | C18 | O02 | 178.2° | 179.9° |
| N16 | C17 | C18 | N26 | 176.5° | 163.7° |
| N16 | C17 | C18 | H8 | 53.5° | 43.7° |
| C17 | N16 | C10 | H14 | 46.8° | 35.0° |
| C06 | C05 | C04 | H28 | 38.8° | 54.2° |
| C06 | C05 | C04 | H29 | 158.1° | 174.2° |
| C05 | C06 | H31 | H32 | 120.0° | 120.0° |
| C05 | C06 | H31 | H33 | 120.0° | 120.0° |
| C05 | C06 | H32 | H33 | 120.0° | 120.0° |
| C06 | C05 | C07 | H34 | 59.1° | 180.0° |
| C06 | C05 | C07 | H35 | 179.0° | 60.0° |
| C06 | C05 | C07 | H36 | 61.0° | 60.0° |
| C20 | C19 | C18 | H6 | 120.5° | 120.0° |
| C20 | C19 | C18 | H7 | 120.6° | 119.9° |
| C20 | C19 | C18 | C17 | 169.3° | 176.3° |
| C19 | C20 | C25 | C21 | 179.1° | 179.4° |
| C19 | C20 | C25 | C24 | 180.0° | 179.9° |
| C20 | C19 | C18 | N26 | 46.5° | 63.7° |
| C19 | C20 | C21 | C22 | 180.0° | 179.9° |
| C19 | C20 | C21 | H1 | 0.0° | 0.3° |
| C19 | C20 | C25 | H5 | 0.0° | 0.6° |
| C20 | C19 | H6 | H7 | 118.2° | 119.9° |
| C20 | C19 | C18 | H8 | 73.4° | 56.4° |
| C19 | C18 | C17 | N26 | 119.4° | 120.0° |
| C19 | C18 | C17 | H8 | 117.7° | 119.9° |
| C19 | C18 | C17 | O02 | 114.0° | 103.7° |
| C18 | C19 | C20 | C25 | 76.6° | 90.0° |
| C18 | C19 | C20 | C21 | 102.5° | 90.6° |
| C19 | C18 | N26 | H8 | 119.6° | 120.0° |
| C19 | C18 | N26 | C37 | 107.9° | 159.0° |
| C18 | C19 | H6 | H7 | 118.3° | 120.0° |
| C19 | C18 | N26 | H9 | 130.7° | 77.1° |
| C17 | C18 | N26 | H8 | 122.3° | 120.0° |
| C17 | C18 | N26 | C37 | 133.9° | 81.0° |
| C17 | C18 | C19 | H6 | 70.2° | 56.3° |
| C17 | C18 | C19 | H7 | 48.7° | 63.8° |
| C17 | C18 | N26 | H9 | 12.5° | 42.9° |
| C18 | C17 | N16 | H13 | 0.8° | 0.0° |
| O02 | C17 | C18 | N26 | 5.4° | 16.3° |
| O02 | C17 | C18 | H8 | 128.3° | 136.4° |
| O02 | C17 | N16 | H13 | 179.0° | 180.0° |
| C20 | C25 | C24 | H5 | 180.0° | 179.4° |
| C20 | C25 | C24 | C23 | 0.2° | 0.3° |
| C25 | C20 | C21 | C22 | 0.9° | 0.6° |
| C25 | C20 | C21 | H1 | 179.1° | 179.7° |
| C20 | C25 | C24 | H4 | 179.8° | 179.7° |
| C25 | C20 | C19 | H6 | 44.0° | 150.0° |
| C25 | C20 | C19 | H7 | 162.8° | 30.0° |
| C24 | C25 | C20 | C21 | 0.9° | 0.6° |
| C25 | C24 | C23 | H4 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.0° |
| C25 | C24 | C23 | H3 | 179.6° | 180.0° |
| C20 | C21 | C22 | H1 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.4° | 0.3° |
| C20 | C21 | C22 | H2 | 179.7° | 179.8° |
| C21 | C20 | C25 | H5 | 179.1° | 180.0° |
| C21 | C20 | C19 | H6 | 137.0° | 29.4° |
| C21 | C20 | C19 | H7 | 18.1° | 149.4° |
| C18 | N26 | C37 | H9 | 121.4° | 123.9° |
| C18 | N26 | C37 | O38 | 84.5° | 165.9° |
| C18 | N26 | C37 | O46 | 160.6° | 74.1° |
| N26 | C18 | C19 | H6 | 167.0° | 176.3° |
| N26 | C18 | C19 | H7 | 74.1° | 56.3° |
| C18 | N26 | C37 | H10 | 37.4° | 45.8° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H3 | 180.0° | 180.0° |
| C24 | C23 | C22 | H2 | 179.7° | 179.9° |
| C23 | C24 | C25 | H5 | 179.8° | 179.7° |
| C21 | C22 | C23 | H2 | 180.0° | 179.9° |
| C21 | C22 | C23 | H3 | 179.7° | 180.0° |
| C23 | C22 | C21 | H1 | 179.7° | 180.0° |
| C22 | C23 | C24 | H4 | 179.6° | 179.9° |
| N26 | C37 | O38 | O46 | 113.9° | 120.0° |
| N26 | C37 | O38 | H10 | 121.2° | 120.0° |
| N26 | C37 | O46 | H10 | 122.5° | 120.0° |
| C37 | N26 | C18 | H8 | 11.7° | 39.0° |
| N26 | C37 | O38 | H11 | 180.0° | 179.9° |
| N26 | C37 | O46 | H12 | 180.0° | 60.0° |
| O38 | C37 | O46 | H10 | 124.9° | 120.0° |
| O38 | C37 | N26 | H9 | 36.8° | 42.0° |
| O38 | C37 | O46 | H12 | 67.3° | 60.0° |
| O46 | C37 | N26 | H9 | 78.1° | 162.0° |
| O46 | C37 | O38 | H11 | 66.1° | 59.9° |
| H1 | C21 | C22 | H2 | 0.3° | 0.1° |
| H2 | C22 | C23 | H3 | 0.3° | 0.0° |
| H3 | C23 | C24 | H4 | 0.4° | 0.0° |
| H4 | C24 | C25 | H5 | 0.2° | 0.4° |
| H6 | C19 | C18 | H8 | 47.1° | 63.7° |
| H7 | C19 | C18 | H8 | 166.0° | 176.3° |
| H8 | C18 | N26 | H9 | 109.7° | 162.9° |
| H9 | N26 | C37 | H10 | 158.8° | 78.1° |
| H11 | O38 | C37 | H10 | 58.8° | 60.0° |
| H12 | O46 | C37 | H10 | 57.6° | 180.0° |
| H13 | N16 | C10 | H14 | 133.2° | 145.0° |
| H14 | C10 | C11 | H15 | 124.5° | 175.0° |
| H14 | C10 | C11 | H16 | 117.2° | 65.0° |
| H15 | C11 | C12 | H17 | 153.4° | 180.0° |
| H15 | C11 | C12 | H18 | 33.9° | 59.9° |
| H16 | C11 | C12 | H17 | 88.3° | 60.0° |
| H16 | C11 | C12 | H18 | 152.2° | 180.0° |
| H17 | C12 | C13 | H19 | 166.0° | 179.9° |
| H17 | C12 | C13 | H20 | 46.7° | 60.0° |
| H18 | C12 | C13 | H19 | 74.5° | 59.9° |
| H18 | C12 | C13 | H20 | 166.2° | 180.0° |
| H19 | C13 | C14 | H21 | 3.3° | 180.0° |
| H19 | C13 | C14 | H22 | 116.3° | 60.0° |
| H20 | C13 | C14 | H21 | 115.9° | 60.0° |
| H20 | C13 | C14 | H22 | 124.4° | 179.9° |
| H21 | C14 | N15 | H23 | 59.8° | 60.0° |
| H21 | C14 | N15 | H24 | 179.8° | 176.1° |
| H22 | C14 | N15 | H23 | 59.8° | 59.9° |
| H22 | C14 | N15 | H24 | 60.2° | 64.0° |
| H26 | C02 | C03 | H27 | 49.9° | 60.0° |
| H26 | C02 | O01 | H41 | 59.4° | 180.0° |
| H27 | C03 | C04 | H28 | 165.5° | 65.2° |
| H27 | C03 | C04 | H29 | 75.3° | 174.7° |
| H27 | C03 | N08 | H40 | 172.0° | 149.0° |
| H28 | C04 | C05 | H30 | 82.0° | 174.2° |
| H29 | C04 | C05 | H30 | 37.3° | 65.8° |
| H30 | C05 | C06 | H31 | 59.3° | 64.6° |
| H30 | C05 | C06 | H32 | 179.3° | 175.4° |
| H30 | C05 | C06 | H33 | 60.7° | 55.4° |
| H30 | C05 | C07 | H34 | 59.3° | 60.0° |
| H30 | C05 | C07 | H35 | 60.6° | 60.0° |
| H30 | C05 | C07 | H36 | 179.4° | 180.0° |
| H31 | C06 | H32 | H33 | 120.0° | 120.0° |
| H34 | C07 | H35 | H36 | 120.0° | 120.0° |
| H37 | C32 | H38 | H39 | 119.9° | 120.1° |
