A1BZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.43Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.44Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C35 | N34 | sing | 1.47Å | 1.52Å | |
| C33 | N34 | sing | 1.47Å | 1.52Å | |
| C33 | C32 | sing | 1.53Å | 1.62Å | |
| N34 | C36 | sing | 1.47Å | 1.51Å | |
| C21 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.57Å | |
| C32 | O31 | sing | 1.43Å | 1.45Å | |
| O31 | C30 | sing | 1.36Å | 1.42Å | |
| C30 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C30 | C37 | sing | 1.39Å | 1.43Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.44Å | Aromatic |
| C38 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C20 | sing | 1.48Å | 1.55Å | |
| C20 | C03 | doub | 1.36Å | 1.39Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.47Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.44Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.51Å | |
| C06 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| N07 | S08 | sing | 1.66Å | 1.74Å | |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| O15 | S08 | doub | 1.42Å | 1.42Å | |
| S08 | N09 | sing | 1.66Å | 1.75Å | |
| S08 | O16 | doub | 1.42Å | 1.42Å | |
| N09 | C10 | sing | 1.47Å | 1.51Å | |
| C14 | C10 | sing | 1.54Å | 1.54Å | |
| C14 | O13 | sing | 1.44Å | 1.44Å | |
| C10 | C11 | sing | 1.54Å | 1.55Å | |
| O13 | C12 | sing | 1.44Å | 1.43Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å | |
| N07 | H36 | sing | 0.97Å | 1.00Å | |
| N09 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 119.5° | 120.2° |
| C23 | C24 | C25 | 119.0° | 120.3° |
| C24 | C23 | H18 | 120.2° | 119.9° |
| C23 | C24 | H19 | 120.5° | 119.8° |
| C23 | C22 | C21 | 123.3° | 119.8° |
| C23 | C22 | H17 | 118.4° | 120.1° |
| C22 | C23 | H18 | 120.2° | 119.9° |
| C24 | C25 | C26 | 120.8° | 120.2° |
| C25 | C24 | H19 | 120.5° | 119.9° |
| C24 | C25 | H20 | 119.6° | 119.9° |
| C22 | C21 | C26 | 115.9° | 119.7° |
| C22 | C21 | C20 | 107.3° | 120.1° |
| C21 | C22 | H17 | 118.3° | 120.0° |
| C25 | C26 | C21 | 121.5° | 119.9° |
| C26 | C25 | H20 | 119.6° | 119.9° |
| C25 | C26 | H21 | 119.3° | 120.1° |
| C35 | N34 | C33 | 111.6° | 111.0° |
| C35 | N34 | C36 | 110.3° | 111.0° |
| N34 | C35 | H28 | 109.5° | 109.5° |
| N34 | C35 | H29 | 109.4° | 109.5° |
| N34 | C35 | H30 | 109.5° | 109.5° |
| N34 | C33 | C32 | 113.9° | 109.4° |
| C33 | N34 | C36 | 109.1° | 111.0° |
| N34 | C33 | H26 | 108.3° | 109.5° |
| N34 | C33 | H27 | 108.3° | 109.5° |
| C33 | C32 | O31 | 112.6° | 109.5° |
| C33 | C32 | H24 | 108.7° | 109.4° |
| C33 | C32 | H25 | 108.7° | 109.5° |
| C32 | C33 | H26 | 108.3° | 109.5° |
| C32 | C33 | H27 | 108.3° | 109.5° |
| N34 | C36 | H31 | 109.5° | 109.5° |
| N34 | C36 | H32 | 109.5° | 109.5° |
| N34 | C36 | H33 | 109.5° | 109.5° |
| C26 | C21 | C20 | 136.8° | 120.2° |
| C21 | C26 | H21 | 119.2° | 120.1° |
| C21 | C20 | C27 | 115.0° | 120.0° |
| C21 | C20 | C03 | 123.6° | 120.0° |
| C32 | O31 | C30 | 123.7° | 117.0° |
| O31 | C32 | H24 | 108.7° | 109.5° |
| O31 | C32 | H25 | 108.7° | 109.5° |
| O31 | C30 | C29 | 122.5° | 120.0° |
| O31 | C30 | C37 | 121.0° | 119.9° |
| C29 | C30 | C37 | 116.5° | 120.1° |
| C30 | C29 | C28 | 120.4° | 120.1° |
| C30 | C29 | H23 | 119.8° | 119.9° |
| C30 | C37 | C38 | 122.4° | 120.1° |
| C30 | C37 | H34 | 118.8° | 120.0° |
| C29 | C28 | C27 | 123.6° | 119.9° |
| C29 | C28 | H22 | 118.2° | 120.0° |
| C28 | C29 | H23 | 119.8° | 120.0° |
| C37 | C38 | C27 | 122.1° | 119.9° |
| C38 | C37 | H34 | 118.8° | 120.0° |
| C37 | C38 | H35 | 118.9° | 120.1° |
| C28 | C27 | C38 | 115.0° | 119.9° |
| C28 | C27 | C20 | 119.3° | 120.1° |
| C27 | C28 | H22 | 118.2° | 120.1° |
| C38 | C27 | C20 | 125.7° | 120.1° |
| C27 | C38 | H35 | 119.0° | 120.0° |
| C27 | C20 | C03 | 121.4° | 120.0° |
| C20 | C03 | C02 | 122.2° | 120.0° |
| C20 | C03 | C04 | 122.8° | 120.0° |
| C02 | C03 | C04 | 115.0° | 120.0° |
| C03 | C02 | C01 | 126.3° | 109.5° |
| C03 | C02 | H5 | 105.1° | 109.5° |
| C03 | C02 | H6 | 105.1° | 109.5° |
| C03 | C04 | C05 | 133.6° | 120.1° |
| C03 | C04 | C19 | 108.6° | 120.1° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 105.1° | 109.5° |
| C01 | C02 | H6 | 105.1° | 109.4° |
| C05 | C04 | C19 | 117.8° | 119.8° |
| C04 | C05 | C06 | 122.3° | 119.7° |
| C04 | C05 | H7 | 118.9° | 120.1° |
| C04 | C19 | C18 | 121.9° | 119.9° |
| C04 | C19 | H16 | 119.1° | 120.1° |
| C05 | C06 | N07 | 119.6° | 120.0° |
| C05 | C06 | C17 | 117.0° | 120.0° |
| C06 | C05 | H7 | 118.8° | 120.1° |
| C19 | C18 | C17 | 119.0° | 120.2° |
| C19 | C18 | H15 | 120.5° | 119.9° |
| C18 | C19 | H16 | 119.0° | 120.0° |
| N07 | C06 | C17 | 123.4° | 120.0° |
| C06 | N07 | S08 | 123.0° | 120.0° |
| C06 | N07 | H36 | 106.0° | 120.0° |
| C06 | C17 | C18 | 122.0° | 120.3° |
| C06 | C17 | H14 | 119.0° | 119.8° |
| N07 | S08 | O15 | 110.5° | 106.4° |
| N07 | S08 | N09 | 108.1° | 107.2° |
| N07 | S08 | O16 | 108.5° | 106.4° |
| S08 | N07 | H36 | 106.0° | 120.0° |
| C18 | C17 | H14 | 119.0° | 119.8° |
| C17 | C18 | H15 | 120.5° | 119.9° |
| O15 | S08 | N09 | 108.6° | 106.4° |
| O15 | S08 | O16 | 111.8° | 123.1° |
| N09 | S08 | O16 | 109.2° | 106.4° |
| S08 | N09 | C10 | 123.5° | 120.0° |
| S08 | N09 | H37 | 105.8° | 120.0° |
| N09 | C10 | C14 | 114.9° | 110.6° |
| N09 | C10 | C11 | 117.8° | 110.5° |
| N09 | C10 | H1 | 108.1° | 110.4° |
| C10 | N09 | H37 | 105.9° | 120.0° |
| C10 | C14 | O13 | 108.2° | 104.8° |
| C14 | C10 | C11 | 100.0° | 104.1° |
| C14 | C10 | H1 | 107.8° | 110.5° |
| C10 | C14 | H12 | 109.8° | 110.3° |
| C10 | C14 | H13 | 109.8° | 110.4° |
| C14 | O13 | C12 | 110.6° | 105.3° |
| O13 | C14 | H12 | 109.8° | 110.4° |
| O13 | C14 | H13 | 109.8° | 110.3° |
| C10 | C11 | C12 | 105.5° | 104.1° |
| C11 | C10 | H1 | 107.6° | 110.5° |
| C10 | C11 | H8 | 110.4° | 110.5° |
| C10 | C11 | H9 | 110.4° | 110.5° |
| O13 | C12 | C11 | 106.0° | 104.8° |
| O13 | C12 | H10 | 110.3° | 110.4° |
| O13 | C12 | H11 | 110.3° | 110.4° |
| C12 | C11 | H8 | 110.4° | 110.5° |
| C12 | C11 | H9 | 110.4° | 110.5° |
| C11 | C12 | H10 | 110.4° | 110.4° |
| C11 | C12 | H11 | 110.3° | 110.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H5 | C02 | H6 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 110.5° |
| H10 | C12 | H11 | 109.5° | 110.3° |
| H12 | C14 | H13 | 109.5° | 110.4° |
| H24 | C32 | H25 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.4° |
| H28 | C35 | H30 | 109.4° | 109.5° |
| H29 | C35 | H30 | 109.5° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.4° |
| H31 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H18 | 180.0° | 179.9° |
| C23 | C24 | C25 | H19 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H17 | 179.7° | 179.9° |
| C23 | C24 | C25 | H20 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C21 | H17 | 180.0° | 179.9° |
| C23 | C22 | C21 | C26 | 0.7° | 0.1° |
| C23 | C22 | C21 | C20 | 179.3° | 179.8° |
| C22 | C23 | C24 | H19 | 179.9° | 180.0° |
| C24 | C25 | C26 | H20 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.6° | 0.0° |
| C25 | C24 | C23 | H18 | 180.0° | 179.9° |
| C24 | C25 | C26 | H21 | 179.4° | 179.8° |
| C22 | C21 | C26 | C25 | 0.9° | 0.0° |
| C22 | C21 | C26 | C20 | 178.1° | 179.7° |
| C22 | C21 | C20 | C27 | 56.4° | 116.1° |
| C22 | C21 | C20 | C03 | 125.1° | 63.9° |
| C21 | C22 | C23 | H18 | 179.7° | 180.0° |
| C22 | C21 | C26 | H21 | 179.1° | 179.7° |
| C25 | C26 | C21 | H21 | 180.0° | 179.8° |
| C25 | C26 | C21 | C20 | 179.0° | 179.8° |
| C26 | C25 | C24 | H19 | 179.9° | 180.0° |
| C35 | N34 | C33 | C36 | 122.1° | 123.9° |
| C35 | N34 | C33 | C32 | 130.5° | 66.1° |
| C35 | N34 | C33 | H26 | 9.8° | 53.9° |
| C35 | N34 | C33 | H27 | 108.9° | 174.0° |
| N34 | C35 | H28 | H29 | 120.0° | 120.0° |
| N34 | C35 | H28 | H30 | 120.0° | 120.0° |
| N34 | C35 | H29 | H30 | 120.0° | 120.0° |
| C35 | N34 | C36 | H31 | 180.0° | 176.0° |
| C35 | N34 | C36 | H32 | 60.0° | 56.0° |
| C35 | N34 | C36 | H33 | 60.0° | 63.9° |
| N34 | C33 | C32 | H26 | 120.6° | 120.0° |
| N34 | C33 | C32 | H27 | 120.7° | 120.0° |
| N34 | C33 | C32 | O31 | 63.2° | 65.0° |
| N34 | C33 | C32 | H24 | 176.4° | 175.0° |
| N34 | C33 | C32 | H25 | 57.3° | 55.1° |
| N34 | C33 | H26 | H27 | 118.0° | 120.0° |
| C33 | N34 | C35 | H28 | 180.0° | 60.0° |
| C33 | N34 | C35 | H29 | 60.0° | 179.9° |
| C33 | N34 | C35 | H30 | 60.0° | 60.0° |
| C33 | N34 | C36 | H31 | 57.0° | 60.1° |
| C33 | N34 | C36 | H32 | 63.0° | 180.0° |
| C33 | N34 | C36 | H33 | 177.0° | 60.0° |
| C32 | C33 | N34 | C36 | 107.4° | 170.0° |
| C33 | C32 | O31 | H24 | 120.5° | 120.0° |
| C33 | C32 | O31 | H25 | 120.4° | 120.0° |
| C33 | C32 | O31 | C30 | 156.4° | 180.0° |
| C33 | C32 | H24 | H25 | 118.6° | 120.0° |
| C32 | C33 | H26 | H27 | 118.0° | 120.0° |
| C36 | N34 | C33 | H26 | 132.0° | 70.0° |
| C36 | N34 | C33 | H27 | 13.3° | 50.0° |
| C36 | N34 | C35 | H28 | 58.5° | 63.9° |
| C36 | N34 | C35 | H29 | 61.5° | 56.0° |
| C36 | N34 | C35 | H30 | 178.5° | 176.1° |
| N34 | C36 | H31 | H32 | 120.0° | 120.0° |
| N34 | C36 | H31 | H33 | 120.0° | 120.1° |
| N34 | C36 | H32 | H33 | 120.0° | 120.0° |
| C26 | C21 | C20 | C27 | 121.8° | 64.1° |
| C26 | C21 | C20 | C03 | 56.6° | 115.8° |
| C26 | C21 | C22 | H17 | 179.3° | 180.0° |
| C21 | C26 | C25 | H20 | 179.4° | 179.9° |
| C21 | C20 | C27 | C28 | 123.5° | 65.0° |
| C21 | C20 | C27 | C38 | 55.6° | 114.7° |
| C21 | C20 | C27 | C03 | 178.5° | 180.0° |
| C21 | C20 | C03 | C02 | 1.0° | 6.2° |
| C21 | C20 | C03 | C04 | 178.9° | 173.7° |
| C20 | C21 | C22 | H17 | 0.6° | 0.3° |
| C20 | C21 | C26 | H21 | 1.0° | 0.0° |
| C32 | O31 | C30 | C29 | 7.6° | 180.0° |
| C32 | O31 | C30 | C37 | 172.9° | 0.0° |
| O31 | C32 | H24 | H25 | 118.5° | 120.0° |
| O31 | C32 | C33 | H26 | 57.5° | 175.0° |
| O31 | C32 | C33 | H27 | 176.2° | 55.0° |
| O31 | C30 | C29 | C37 | 179.6° | 180.0° |
| O31 | C30 | C29 | C28 | 179.6° | 180.0° |
| O31 | C30 | C37 | C38 | 180.0° | 179.7° |
| O31 | C30 | C29 | H23 | 0.4° | 0.1° |
| C30 | O31 | C32 | H24 | 35.9° | 60.0° |
| C30 | O31 | C32 | H25 | 83.2° | 60.0° |
| O31 | C30 | C37 | H34 | 0.0° | 0.0° |
| C30 | C29 | C28 | H23 | 180.0° | 179.9° |
| C29 | C30 | C37 | C38 | 0.4° | 0.3° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C30 | C29 | C28 | H22 | 179.4° | 180.0° |
| C29 | C30 | C37 | H34 | 179.6° | 180.0° |
| C37 | C30 | C29 | C28 | 0.0° | 0.0° |
| C30 | C37 | C38 | H34 | 180.0° | 179.8° |
| C30 | C37 | C38 | C27 | 0.1° | 0.5° |
| C37 | C30 | C29 | H23 | 180.0° | 180.0° |
| C30 | C37 | C38 | H35 | 179.8° | 180.0° |
| C29 | C28 | C27 | H22 | 180.0° | 180.0° |
| C29 | C28 | C27 | C38 | 0.8° | 0.3° |
| C29 | C28 | C27 | C20 | 179.9° | 180.0° |
| C37 | C38 | C27 | C28 | 0.5° | 0.5° |
| C37 | C38 | C27 | H35 | 180.0° | 179.4° |
| C37 | C38 | C27 | C20 | 179.7° | 179.7° |
| C28 | C27 | C38 | C20 | 179.2° | 179.7° |
| C28 | C27 | C20 | C03 | 57.9° | 115.0° |
| C27 | C28 | C29 | H23 | 179.4° | 180.0° |
| C28 | C27 | C38 | H35 | 179.6° | 180.0° |
| C38 | C27 | C20 | C03 | 122.9° | 65.3° |
| C38 | C27 | C28 | H22 | 179.2° | 179.8° |
| C27 | C38 | C37 | H34 | 179.9° | 179.7° |
| C27 | C20 | C03 | C02 | 179.4° | 173.7° |
| C27 | C20 | C03 | C04 | 0.5° | 6.3° |
| C20 | C27 | C28 | H22 | 0.1° | 0.0° |
| C20 | C27 | C38 | H35 | 0.4° | 0.3° |
| C20 | C03 | C02 | C04 | 180.0° | 180.0° |
| C20 | C03 | C02 | C01 | 89.9° | 94.0° |
| C20 | C03 | C04 | C05 | 108.0° | 115.0° |
| C20 | C03 | C04 | C19 | 71.5° | 65.2° |
| C20 | C03 | C02 | H5 | 32.4° | 146.0° |
| C20 | C03 | C02 | H6 | 147.9° | 25.9° |
| C03 | C02 | C01 | H5 | 122.2° | 120.0° |
| C03 | C02 | C01 | H6 | 122.2° | 120.0° |
| C02 | C03 | C04 | C05 | 72.0° | 65.0° |
| C02 | C03 | C04 | C19 | 108.5° | 114.7° |
| C03 | C02 | C01 | H2 | 180.0° | 173.2° |
| C03 | C02 | C01 | H3 | 60.0° | 66.8° |
| C03 | C02 | C01 | H4 | 60.0° | 53.2° |
| C03 | C02 | H5 | H6 | 112.5° | 120.0° |
| C04 | C03 | C02 | C01 | 90.1° | 86.0° |
| C03 | C04 | C05 | C19 | 179.5° | 179.8° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C03 | C04 | C19 | C18 | 179.7° | 179.7° |
| C04 | C03 | C02 | H5 | 147.7° | 34.0° |
| C04 | C03 | C02 | H6 | 32.1° | 154.0° |
| C03 | C04 | C05 | H7 | 0.6° | 0.0° |
| C03 | C04 | C19 | H16 | 0.3° | 0.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C01 | C02 | H5 | H6 | 112.5° | 120.0° |
| C04 | C05 | C06 | H7 | 180.0° | 180.0° |
| C05 | C04 | C19 | C18 | 0.1° | 0.5° |
| C04 | C05 | C06 | N07 | 179.5° | 180.0° |
| C04 | C05 | C06 | C17 | 0.4° | 0.0° |
| C05 | C04 | C19 | H16 | 179.9° | 179.8° |
| C19 | C04 | C05 | C06 | 0.1° | 0.2° |
| C04 | C19 | C18 | H16 | 180.0° | 179.7° |
| C04 | C19 | C18 | C17 | 0.0° | 0.5° |
| C19 | C04 | C05 | H7 | 179.9° | 179.8° |
| C04 | C19 | C18 | H15 | 180.0° | 179.7° |
| C05 | C06 | N07 | C17 | 179.1° | 180.0° |
| C05 | C06 | N07 | S08 | 119.2° | 135.0° |
| C05 | C06 | C17 | C18 | 0.5° | 0.0° |
| C05 | C06 | C17 | H14 | 179.5° | 180.0° |
| C05 | C06 | N07 | H36 | 2.6° | 45.0° |
| C19 | C18 | C17 | C06 | 0.3° | 0.3° |
| C19 | C18 | C17 | H15 | 180.0° | 179.7° |
| C19 | C18 | C17 | H14 | 179.7° | 179.7° |
| C06 | N07 | S08 | H36 | 121.9° | 180.0° |
| N07 | C06 | C17 | C18 | 179.6° | 180.0° |
| C06 | N07 | S08 | O15 | 157.4° | 178.6° |
| C06 | N07 | S08 | N09 | 38.6° | 65.0° |
| C06 | N07 | S08 | O16 | 79.7° | 48.6° |
| N07 | C06 | C05 | H7 | 0.5° | 0.0° |
| N07 | C06 | C17 | H14 | 0.4° | 0.0° |
| C17 | C06 | N07 | S08 | 59.9° | 45.0° |
| C06 | C17 | C18 | H14 | 180.0° | 180.0° |
| C17 | C06 | C05 | H7 | 179.6° | 179.9° |
| C06 | C17 | C18 | H15 | 179.7° | 180.0° |
| C17 | C06 | N07 | H36 | 178.3° | 135.0° |
| N07 | S08 | O15 | N09 | 118.5° | 114.1° |
| N07 | S08 | O15 | O16 | 121.0° | 122.9° |
| N07 | S08 | N09 | O16 | 117.9° | 113.5° |
| N07 | S08 | N09 | C10 | 84.7° | 65.0° |
| N07 | S08 | N09 | H37 | 37.2° | 115.0° |
| C17 | C18 | C19 | H16 | 180.0° | 179.7° |
| O15 | S08 | N09 | O16 | 122.1° | 132.9° |
| O15 | S08 | N09 | C10 | 155.3° | 48.6° |
| O15 | S08 | N07 | H36 | 35.5° | 1.4° |
| O15 | S08 | N09 | H37 | 82.8° | 131.4° |
| S08 | N09 | C10 | H37 | 121.9° | 180.0° |
| S08 | N09 | C10 | C14 | 114.4° | 100.3° |
| S08 | N09 | C10 | C11 | 128.2° | 145.0° |
| S08 | N09 | C10 | H1 | 6.0° | 22.4° |
| N09 | S08 | N07 | H36 | 83.2° | 115.0° |
| O16 | S08 | N09 | C10 | 33.2° | 178.5° |
| O16 | S08 | N07 | H36 | 158.5° | 131.5° |
| O16 | S08 | N09 | H37 | 155.1° | 1.5° |
| N09 | C10 | C14 | C11 | 127.1° | 118.7° |
| N09 | C10 | C14 | H1 | 120.6° | 122.6° |
| N09 | C10 | C14 | O13 | 151.5° | 94.7° |
| N09 | C10 | C11 | H1 | 122.4° | 122.6° |
| N09 | C10 | C11 | C12 | 155.8° | 118.8° |
| N09 | C10 | C11 | H8 | 36.4° | 0.1° |
| N09 | C10 | C11 | H9 | 84.8° | 122.5° |
| N09 | C10 | C14 | H12 | 88.7° | 146.5° |
| N09 | C10 | C14 | H13 | 31.7° | 24.1° |
| C10 | C14 | O13 | H12 | 119.8° | 118.8° |
| C10 | C14 | O13 | H13 | 119.8° | 118.8° |
| C14 | C10 | C11 | H1 | 112.5° | 118.7° |
| C10 | C14 | O13 | C12 | 9.2° | 40.5° |
| C14 | C10 | C11 | C12 | 30.6° | 0.0° |
| C14 | C10 | C11 | H8 | 88.8° | 118.6° |
| C14 | C10 | C11 | H9 | 150.0° | 118.7° |
| C10 | C14 | H12 | H13 | 120.6° | 122.3° |
| C14 | C10 | N09 | H37 | 7.5° | 79.7° |
| O13 | C14 | C10 | C11 | 24.4° | 24.0° |
| C14 | O13 | C12 | C11 | 11.1° | 40.5° |
| O13 | C14 | C10 | H1 | 87.9° | 142.6° |
| C14 | O13 | C12 | H10 | 108.4° | 159.4° |
| C14 | O13 | C12 | H11 | 130.6° | 78.4° |
| O13 | C14 | H12 | H13 | 120.6° | 122.3° |
| C10 | C11 | C12 | O13 | 26.8° | 24.0° |
| C10 | C11 | C12 | H8 | 119.4° | 118.6° |
| C10 | C11 | C12 | H9 | 119.4° | 118.7° |
| C10 | C11 | H8 | H9 | 121.8° | 122.7° |
| C10 | C11 | C12 | H10 | 92.7° | 142.8° |
| C10 | C11 | C12 | H11 | 146.2° | 94.9° |
| C11 | C10 | C14 | H12 | 144.2° | 94.8° |
| C11 | C10 | C14 | H13 | 95.4° | 142.8° |
| C11 | C10 | N09 | H37 | 109.9° | 35.0° |
| O13 | C12 | C11 | H10 | 119.5° | 118.8° |
| O13 | C12 | C11 | H11 | 119.4° | 118.9° |
| O13 | C12 | C11 | H8 | 92.6° | 94.7° |
| O13 | C12 | C11 | H9 | 146.2° | 142.6° |
| O13 | C12 | H10 | H11 | 121.6° | 122.3° |
| C12 | O13 | C14 | H12 | 129.0° | 78.3° |
| C12 | O13 | C14 | H13 | 110.5° | 159.3° |
| C12 | C11 | C10 | H1 | 81.9° | 118.7° |
| C12 | C11 | H8 | H9 | 121.8° | 122.7° |
| C11 | C12 | H10 | H11 | 121.6° | 122.3° |
| H1 | C10 | C11 | H8 | 158.7° | 122.7° |
| H1 | C10 | C11 | H9 | 37.5° | 0.0° |
| H1 | C10 | C14 | H12 | 31.9° | 23.8° |
| H1 | C10 | C14 | H13 | 152.3° | 98.6° |
| H1 | C10 | N09 | H37 | 127.9° | 157.6° |
| H2 | C01 | H3 | H4 | 120.0° | 120.1° |
| H2 | C01 | C02 | H5 | 57.8° | 66.7° |
| H2 | C01 | C02 | H6 | 57.7° | 53.3° |
| H3 | C01 | C02 | H5 | 177.8° | 53.3° |
| H3 | C01 | C02 | H6 | 62.2° | 173.3° |
| H4 | C01 | C02 | H5 | 62.3° | 173.2° |
| H4 | C01 | C02 | H6 | 177.8° | 66.8° |
| H8 | C11 | C12 | H10 | 147.9° | 24.2° |
| H8 | C11 | C12 | H11 | 26.9° | 146.4° |
| H9 | C11 | C12 | H10 | 26.7° | 98.5° |
| H9 | C11 | C12 | H11 | 94.4° | 23.7° |
| H14 | C17 | C18 | H15 | 0.3° | 0.0° |
| H15 | C18 | C19 | H16 | 0.0° | 0.0° |
| H17 | C22 | C23 | H18 | 0.3° | 0.1° |
| H18 | C23 | C24 | H19 | 0.1° | 0.1° |
| H19 | C24 | C25 | H20 | 0.1° | 0.1° |
| H20 | C25 | C26 | H21 | 0.6° | 0.3° |
| H22 | C28 | C29 | H23 | 0.6° | 0.0° |
| H24 | C32 | C33 | H26 | 63.0° | 55.0° |
| H24 | C32 | C33 | H27 | 55.7° | 65.0° |
| H25 | C32 | C33 | H26 | 177.9° | 64.9° |
| H25 | C32 | C33 | H27 | 63.4° | 175.0° |
| H28 | C35 | H29 | H30 | 120.0° | 120.0° |
| H31 | C36 | H32 | H33 | 120.0° | 120.0° |
| H34 | C37 | C38 | H35 | 0.2° | 0.3° |
