OSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.36Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.43Å | Aromatic |
| N40 | N33 | sing | 1.40Å | 1.35Å | Aromatic |
| N40 | C41 | doub | 1.30Å | 1.33Å | Aromatic |
| C34 | C39 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | N33 | sing | 1.40Å | 1.47Å | |
| N33 | C31 | sing | 1.35Å | 1.33Å | Aromatic |
| C41 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.35Å | Aromatic |
| C31 | N32 | sing | 1.38Å | 1.42Å | |
| C30 | C29 | sing | 1.47Å | 1.54Å | |
| N28 | C29 | sing | 1.35Å | 1.50Å | |
| N28 | C27 | sing | 1.46Å | 1.48Å | |
| C29 | O42 | doub | 1.22Å | 1.21Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C23 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C20 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.40Å | 1.37Å | Aromatic |
| C21 | C02 | sing | 1.48Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | doub | 1.22Å | 1.17Å | |
| C02 | N03 | sing | 1.35Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.47Å | 1.48Å | |
| C13 | C04 | sing | 1.53Å | 1.50Å | |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C05 | O12 | doub | 1.21Å | 1.17Å | |
| C05 | N06 | sing | 1.35Å | 1.46Å | |
| C11 | N06 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| N06 | C07 | sing | 1.47Å | 1.49Å | |
| C10 | N09 | sing | 1.47Å | 1.46Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| N09 | C08 | sing | 1.47Å | 1.44Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| N09 | H18 | sing | 1.01Å | 1.00Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| N28 | H34 | sing | 0.97Å | 1.00Å | |
| N32 | H35 | sing | 0.97Å | 1.00Å | |
| N32 | H36 | sing | 0.97Å | 1.00Å | |
| C35 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H41 | sing | 1.08Å | 1.08Å | |
| C41 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 120.9° | 120.1° |
| C36 | C37 | C38 | 120.1° | 120.2° |
| C37 | C36 | H38 | 119.5° | 119.9° |
| C36 | C37 | H39 | 119.9° | 120.0° |
| C36 | C35 | C34 | 118.6° | 119.9° |
| C36 | C35 | H37 | 120.7° | 120.0° |
| C35 | C36 | H38 | 119.5° | 120.0° |
| C37 | C38 | C39 | 118.9° | 120.0° |
| C38 | C37 | H39 | 120.0° | 119.9° |
| C37 | C38 | H40 | 120.6° | 120.0° |
| C35 | C34 | C39 | 120.4° | 119.9° |
| C35 | C34 | N33 | 123.7° | 120.0° |
| C34 | C35 | H37 | 120.7° | 120.1° |
| C38 | C39 | C34 | 121.1° | 120.0° |
| C39 | C38 | H40 | 120.5° | 120.0° |
| C38 | C39 | H41 | 119.5° | 120.0° |
| N33 | N40 | C41 | 107.2° | 109.3° |
| N40 | N33 | C34 | 124.1° | 125.8° |
| N40 | N33 | C31 | 110.6° | 108.4° |
| N40 | C41 | C30 | 107.7° | 108.2° |
| N40 | C41 | H42 | 126.2° | 125.9° |
| C39 | C34 | N33 | 115.9° | 120.1° |
| C34 | C39 | H41 | 119.4° | 120.0° |
| C34 | N33 | C31 | 125.3° | 125.8° |
| N33 | C31 | C30 | 107.1° | 107.1° |
| N33 | C31 | N32 | 127.2° | 126.5° |
| C41 | C30 | C31 | 107.4° | 107.0° |
| C41 | C30 | C29 | 126.1° | 126.5° |
| C30 | C41 | H42 | 126.1° | 125.9° |
| C30 | C31 | N32 | 125.6° | 126.5° |
| C31 | C30 | C29 | 126.5° | 126.5° |
| C31 | N32 | H35 | 109.5° | 120.0° |
| C31 | N32 | H36 | 109.5° | 120.0° |
| C30 | C29 | N28 | 118.9° | 120.0° |
| C30 | C29 | O42 | 121.2° | 120.0° |
| C29 | N28 | C27 | 119.3° | 120.0° |
| N28 | C29 | O42 | 119.8° | 120.0° |
| C29 | N28 | H34 | 120.4° | 119.9° |
| N28 | C27 | C26 | 109.1° | 109.5° |
| N28 | C27 | H32 | 109.6° | 109.5° |
| N28 | C27 | H33 | 109.5° | 109.5° |
| C27 | N28 | H34 | 120.4° | 120.0° |
| C27 | C26 | C23 | 120.5° | 119.8° |
| C27 | C26 | C25 | 119.7° | 119.9° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.6° | 109.5° |
| C26 | C23 | C22 | 120.4° | 120.2° |
| C23 | C26 | C25 | 119.8° | 120.3° |
| C26 | C23 | H30 | 119.8° | 119.9° |
| C23 | C22 | C21 | 119.4° | 119.8° |
| C23 | C22 | H10 | 120.3° | 120.1° |
| C22 | C23 | H30 | 119.8° | 119.9° |
| C26 | C25 | C24 | 119.8° | 120.1° |
| C26 | C25 | H31 | 120.1° | 119.9° |
| C22 | C21 | C24 | 120.5° | 119.7° |
| C22 | C21 | C02 | 120.7° | 120.2° |
| C21 | C22 | H10 | 120.3° | 120.1° |
| C25 | C24 | C21 | 120.1° | 119.9° |
| C25 | C24 | H11 | 120.0° | 120.0° |
| C24 | C25 | H31 | 120.1° | 120.0° |
| C20 | C19 | C18 | 114.7° | 109.5° |
| C19 | C20 | C15 | 114.1° | 109.5° |
| C19 | C20 | H8 | 108.3° | 109.5° |
| C19 | C20 | H9 | 108.3° | 109.5° |
| C20 | C19 | H28 | 108.2° | 109.5° |
| C20 | C19 | H29 | 108.2° | 109.4° |
| C19 | C18 | C17 | 114.3° | 109.4° |
| C19 | C18 | H26 | 108.3° | 109.5° |
| C19 | C18 | H27 | 108.2° | 109.5° |
| C18 | C19 | H28 | 108.1° | 109.5° |
| C18 | C19 | H29 | 108.1° | 109.4° |
| C20 | C15 | C14 | 108.1° | 109.5° |
| C20 | C15 | C16 | 114.1° | 109.5° |
| C20 | C15 | H5 | 108.8° | 109.5° |
| C15 | C20 | H8 | 108.3° | 109.5° |
| C15 | C20 | H9 | 108.3° | 109.5° |
| C24 | C21 | C02 | 118.8° | 120.1° |
| C21 | C24 | H11 | 119.9° | 120.1° |
| C21 | C02 | O01 | 121.3° | 120.0° |
| C21 | C02 | N03 | 118.9° | 120.0° |
| C18 | C17 | C16 | 113.2° | 109.5° |
| C18 | C17 | H6 | 108.5° | 109.5° |
| C18 | C17 | H7 | 108.6° | 109.5° |
| C17 | C18 | H26 | 108.2° | 109.5° |
| C17 | C18 | H27 | 108.3° | 109.5° |
| O01 | C02 | N03 | 119.8° | 120.0° |
| C02 | N03 | C04 | 120.6° | 120.0° |
| C02 | N03 | H12 | 119.7° | 120.0° |
| C15 | C14 | C13 | 112.6° | 109.5° |
| C14 | C15 | C16 | 108.6° | 109.4° |
| C14 | C15 | H5 | 108.4° | 109.5° |
| C15 | C14 | H22 | 108.7° | 109.5° |
| C15 | C14 | H23 | 108.7° | 109.5° |
| C14 | C13 | C04 | 114.4° | 109.5° |
| C14 | C13 | H3 | 108.2° | 109.4° |
| C14 | C13 | H4 | 108.2° | 109.4° |
| C13 | C14 | H22 | 108.7° | 109.5° |
| C13 | C14 | H23 | 108.6° | 109.5° |
| C15 | C16 | C17 | 113.2° | 109.4° |
| C16 | C15 | H5 | 108.6° | 109.5° |
| C15 | C16 | H24 | 108.5° | 109.5° |
| C15 | C16 | H25 | 108.5° | 109.5° |
| C16 | C17 | H6 | 108.5° | 109.5° |
| C16 | C17 | H7 | 108.5° | 109.5° |
| C17 | C16 | H24 | 108.5° | 109.5° |
| C17 | C16 | H25 | 108.5° | 109.5° |
| N03 | C04 | C13 | 108.6° | 109.5° |
| N03 | C04 | C05 | 106.3° | 109.5° |
| C04 | N03 | H12 | 119.7° | 120.0° |
| N03 | C04 | H13 | 111.7° | 109.5° |
| C13 | C04 | C05 | 108.0° | 109.5° |
| C04 | C13 | H3 | 108.2° | 109.5° |
| C04 | C13 | H4 | 108.2° | 109.5° |
| C13 | C04 | H13 | 111.3° | 109.5° |
| C04 | C05 | O12 | 121.5° | 120.0° |
| C04 | C05 | N06 | 119.7° | 120.0° |
| C05 | C04 | H13 | 110.7° | 109.5° |
| O12 | C05 | N06 | 118.9° | 120.0° |
| C05 | N06 | C11 | 123.8° | 120.9° |
| C05 | N06 | C07 | 122.4° | 120.9° |
| N06 | C11 | C10 | 112.9° | 108.5° |
| C11 | N06 | C07 | 113.7° | 118.2° |
| N06 | C11 | H20 | 108.6° | 109.6° |
| N06 | C11 | H21 | 108.6° | 109.7° |
| C11 | C10 | N09 | 113.7° | 109.3° |
| C11 | C10 | H1 | 108.4° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.5° |
| C10 | C11 | H20 | 108.6° | 109.6° |
| C10 | C11 | H21 | 108.6° | 109.6° |
| N06 | C07 | C08 | 112.8° | 108.5° |
| N06 | C07 | H14 | 108.6° | 109.6° |
| N06 | C07 | H15 | 108.6° | 109.6° |
| C10 | N09 | C08 | 114.7° | 111.3° |
| N09 | C10 | H1 | 108.4° | 109.5° |
| N09 | C10 | H2 | 108.4° | 109.5° |
| C10 | N09 | H18 | 108.1° | 111.0° |
| C07 | C08 | N09 | 114.3° | 109.3° |
| C08 | C07 | H14 | 108.6° | 109.6° |
| C08 | C07 | H15 | 108.7° | 109.6° |
| C07 | C08 | H16 | 108.2° | 109.5° |
| C07 | C08 | H17 | 108.3° | 109.5° |
| N09 | C08 | H16 | 108.3° | 109.5° |
| N09 | C08 | H17 | 108.3° | 109.5° |
| C08 | N09 | H18 | 108.2° | 111.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.4° | 109.4° |
| H14 | C07 | H15 | 109.5° | 109.8° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.8° |
| H22 | C14 | H23 | 109.5° | 109.4° |
| H24 | C16 | H25 | 109.4° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.4° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H35 | N32 | H36 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H38 | 180.0° | 179.9° |
| C36 | C37 | C38 | H39 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.1° | 0.1° |
| C36 | C37 | C38 | C39 | 0.1° | 0.1° |
| C37 | C36 | C35 | H37 | 179.9° | 180.0° |
| C36 | C37 | C38 | H40 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.1° |
| C36 | C35 | C34 | H37 | 180.0° | 179.9° |
| C36 | C35 | C34 | C39 | 0.2° | 0.1° |
| C36 | C35 | C34 | N33 | 179.9° | 179.8° |
| C35 | C36 | C37 | H39 | 179.9° | 180.0° |
| C37 | C38 | C39 | H40 | 180.0° | 180.0° |
| C37 | C38 | C39 | C34 | 0.0° | 0.0° |
| C38 | C37 | C36 | H38 | 179.9° | 180.0° |
| C37 | C38 | C39 | H41 | 180.0° | 179.7° |
| C35 | C34 | C39 | C38 | 0.2° | 0.0° |
| C35 | C34 | N33 | N40 | 96.2° | 145.4° |
| C35 | C34 | C39 | N33 | 179.7° | 179.7° |
| C35 | C34 | N33 | C31 | 87.5° | 34.7° |
| C34 | C35 | C36 | H38 | 179.9° | 180.0° |
| C35 | C34 | C39 | H41 | 179.8° | 179.7° |
| C38 | C39 | C34 | H41 | 180.0° | 179.7° |
| C38 | C39 | C34 | N33 | 179.9° | 179.8° |
| C39 | C38 | C37 | H39 | 179.9° | 180.0° |
| N40 | N33 | C34 | C39 | 84.1° | 34.9° |
| N40 | N33 | C34 | C31 | 176.3° | 179.9° |
| N33 | N40 | C41 | C30 | 0.2° | 0.4° |
| N40 | N33 | C31 | C30 | 1.6° | 0.0° |
| N40 | N33 | C31 | N32 | 179.5° | 180.0° |
| N33 | N40 | C41 | H42 | 179.8° | 180.0° |
| C41 | N40 | N33 | C34 | 177.9° | 179.7° |
| C41 | N40 | N33 | C31 | 1.1° | 0.3° |
| N40 | C41 | C30 | H42 | 180.0° | 179.6° |
| N40 | C41 | C30 | C31 | 0.7° | 0.4° |
| N40 | C41 | C30 | C29 | 178.3° | 179.8° |
| C39 | C34 | N33 | C31 | 92.2° | 145.0° |
| C39 | C34 | C35 | H37 | 179.8° | 179.9° |
| C34 | C39 | C38 | H40 | 180.0° | 180.0° |
| C34 | N33 | C31 | C30 | 178.3° | 179.9° |
| C34 | N33 | C31 | N32 | 2.8° | 0.0° |
| N33 | C34 | C35 | H37 | 0.1° | 0.3° |
| N33 | C34 | C39 | H41 | 0.1° | 0.0° |
| N33 | C31 | C30 | C41 | 1.4° | 0.3° |
| N33 | C31 | C30 | N32 | 178.9° | 180.0° |
| N33 | C31 | C30 | C29 | 179.0° | 180.0° |
| N33 | C31 | N32 | H35 | 180.0° | 180.0° |
| N33 | C31 | N32 | H36 | 60.0° | 0.0° |
| C41 | C30 | C31 | C29 | 177.6° | 179.7° |
| C41 | C30 | C31 | N32 | 179.7° | 179.7° |
| C41 | C30 | C29 | N28 | 2.1° | 0.3° |
| C41 | C30 | C29 | O42 | 174.5° | 179.7° |
| C31 | C30 | C29 | N28 | 179.2° | 180.0° |
| C31 | C30 | C29 | O42 | 2.6° | 0.0° |
| C30 | C31 | N32 | H35 | 1.3° | 0.0° |
| C30 | C31 | N32 | H36 | 118.7° | 180.0° |
| C31 | C30 | C41 | H42 | 179.3° | 180.0° |
| N32 | C31 | C30 | C29 | 2.1° | 0.0° |
| C31 | N32 | H35 | H36 | 120.0° | 179.9° |
| C30 | C29 | N28 | O42 | 176.6° | 180.0° |
| C30 | C29 | N28 | C27 | 178.6° | 180.0° |
| C30 | C29 | N28 | H34 | 1.4° | 0.0° |
| C29 | C30 | C41 | H42 | 1.7° | 0.3° |
| C29 | N28 | C27 | H34 | 180.0° | 179.9° |
| C29 | N28 | C27 | C26 | 93.1° | 180.0° |
| C29 | N28 | C27 | H32 | 147.0° | 60.0° |
| C29 | N28 | C27 | H33 | 26.8° | 60.0° |
| C27 | N28 | C29 | O42 | 2.0° | 0.0° |
| N28 | C27 | C26 | H32 | 120.0° | 120.0° |
| N28 | C27 | C26 | H33 | 119.9° | 120.0° |
| N28 | C27 | C26 | C23 | 22.6° | 89.5° |
| N28 | C27 | C26 | C25 | 157.8° | 90.0° |
| N28 | C27 | H32 | H33 | 120.2° | 120.0° |
| O42 | C29 | N28 | H34 | 178.0° | 180.0° |
| C27 | C26 | C23 | C25 | 179.6° | 179.5° |
| C27 | C26 | C23 | C22 | 179.5° | 179.7° |
| C27 | C26 | C25 | C24 | 179.6° | 180.0° |
| C27 | C26 | C23 | H30 | 0.5° | 0.5° |
| C27 | C26 | C25 | H31 | 0.4° | 0.6° |
| C26 | C27 | H32 | H33 | 120.2° | 120.0° |
| C26 | C27 | N28 | H34 | 86.9° | 0.1° |
| C26 | C23 | C22 | H30 | 180.0° | 179.8° |
| C26 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C23 | C22 | H10 | 179.7° | 180.0° |
| C23 | C26 | C25 | H31 | 180.0° | 179.9° |
| C23 | C26 | C27 | H32 | 142.6° | 30.5° |
| C23 | C26 | C27 | H33 | 97.3° | 150.5° |
| C22 | C23 | C26 | C25 | 0.1° | 0.3° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C23 | C22 | C21 | C24 | 0.5° | 0.0° |
| C23 | C22 | C21 | C02 | 179.7° | 179.7° |
| C26 | C25 | C24 | H31 | 180.0° | 179.4° |
| C26 | C25 | C24 | C21 | 0.2° | 0.5° |
| C26 | C25 | C24 | H11 | 179.8° | 179.5° |
| C25 | C26 | C23 | H30 | 179.9° | 180.0° |
| C25 | C26 | C27 | H32 | 37.9° | 150.0° |
| C25 | C26 | C27 | H33 | 82.3° | 30.0° |
| C22 | C21 | C24 | C25 | 0.5° | 0.3° |
| C22 | C21 | C24 | C02 | 179.8° | 179.7° |
| C22 | C21 | C02 | O01 | 14.3° | 179.7° |
| C22 | C21 | C02 | N03 | 167.3° | 0.3° |
| C22 | C21 | C24 | H11 | 179.5° | 179.7° |
| C21 | C22 | C23 | H30 | 179.7° | 179.8° |
| C25 | C24 | C21 | H11 | 180.0° | 180.0° |
| C25 | C24 | C21 | C02 | 179.7° | 180.0° |
| C20 | C19 | C18 | H28 | 120.8° | 120.0° |
| C20 | C19 | C18 | H29 | 120.8° | 119.9° |
| C19 | C20 | C15 | H8 | 120.7° | 120.0° |
| C19 | C20 | C15 | H9 | 120.7° | 120.0° |
| C20 | C19 | C18 | C17 | 44.6° | 60.0° |
| C19 | C20 | C15 | C14 | 167.0° | 180.0° |
| C19 | C20 | C15 | C16 | 46.1° | 60.0° |
| C19 | C20 | C15 | H5 | 75.4° | 60.0° |
| C19 | C20 | H8 | H9 | 117.9° | 120.0° |
| C20 | C19 | C18 | H26 | 165.3° | 60.0° |
| C20 | C19 | C18 | H27 | 76.1° | 180.0° |
| C20 | C19 | H28 | H29 | 117.6° | 120.0° |
| C18 | C19 | C20 | C15 | 43.6° | 60.0° |
| C19 | C18 | C17 | H26 | 120.7° | 120.0° |
| C19 | C18 | C17 | H27 | 120.7° | 120.0° |
| C19 | C18 | C17 | C16 | 47.6° | 60.0° |
| C19 | C18 | C17 | H6 | 73.0° | 180.0° |
| C19 | C18 | C17 | H7 | 168.1° | 60.0° |
| C18 | C19 | C20 | H8 | 77.1° | 179.9° |
| C18 | C19 | C20 | H9 | 164.3° | 60.0° |
| C19 | C18 | H26 | H27 | 117.8° | 120.0° |
| C18 | C19 | H28 | H29 | 117.6° | 120.0° |
| C20 | C15 | C14 | C16 | 124.3° | 120.0° |
| C20 | C15 | C14 | H5 | 117.8° | 120.0° |
| C20 | C15 | C14 | C13 | 167.1° | 65.0° |
| C20 | C15 | C16 | H5 | 121.6° | 120.1° |
| C20 | C15 | C16 | C17 | 49.4° | 60.0° |
| C15 | C20 | H8 | H9 | 117.9° | 120.0° |
| C20 | C15 | C14 | H22 | 72.4° | 55.0° |
| C20 | C15 | C14 | H23 | 46.7° | 175.0° |
| C20 | C15 | C16 | H24 | 71.2° | 60.0° |
| C20 | C15 | C16 | H25 | 169.9° | 180.0° |
| C15 | C20 | C19 | H28 | 77.2° | 60.0° |
| C15 | C20 | C19 | H29 | 164.4° | 180.0° |
| C24 | C21 | C02 | O01 | 165.9° | 0.0° |
| C24 | C21 | C02 | N03 | 12.5° | 180.0° |
| C24 | C21 | C22 | H10 | 179.5° | 180.0° |
| C21 | C24 | C25 | H31 | 179.8° | 180.0° |
| C21 | C02 | O01 | N03 | 178.4° | 180.0° |
| C21 | C02 | N03 | C04 | 179.1° | 180.0° |
| C02 | C21 | C22 | H10 | 0.3° | 0.3° |
| C02 | C21 | C24 | H11 | 0.3° | 0.0° |
| C21 | C02 | N03 | H12 | 0.9° | 0.1° |
| C18 | C17 | C16 | C15 | 49.8° | 60.0° |
| C18 | C17 | C16 | H6 | 120.6° | 120.0° |
| C18 | C17 | C16 | H7 | 120.6° | 120.0° |
| C18 | C17 | H6 | H7 | 118.3° | 120.0° |
| C18 | C17 | C16 | H24 | 70.8° | 60.0° |
| C18 | C17 | C16 | H25 | 170.3° | 180.0° |
| C17 | C18 | H26 | H27 | 117.8° | 120.0° |
| C17 | C18 | C19 | H28 | 76.2° | 60.0° |
| C17 | C18 | C19 | H29 | 165.4° | 180.0° |
| O01 | C02 | N03 | C04 | 0.7° | 0.1° |
| O01 | C02 | N03 | H12 | 179.3° | 180.0° |
| C02 | N03 | C04 | H12 | 180.0° | 179.9° |
| C02 | N03 | C04 | C13 | 101.1° | 155.0° |
| C02 | N03 | C04 | C05 | 142.9° | 85.0° |
| C02 | N03 | C04 | H13 | 22.0° | 35.0° |
| C15 | C14 | C13 | H22 | 120.5° | 120.0° |
| C15 | C14 | C13 | H23 | 120.5° | 120.0° |
| C14 | C15 | C16 | H5 | 117.7° | 120.0° |
| C14 | C15 | C16 | C17 | 170.0° | 180.0° |
| C15 | C14 | C13 | C04 | 62.0° | 180.0° |
| C15 | C14 | C13 | H3 | 58.7° | 60.0° |
| C15 | C14 | C13 | H4 | 177.2° | 60.0° |
| C14 | C15 | C20 | H8 | 46.3° | 60.0° |
| C14 | C15 | C20 | H9 | 72.3° | 60.0° |
| C15 | C14 | H22 | H23 | 118.6° | 120.0° |
| C14 | C15 | C16 | H24 | 49.5° | 60.0° |
| C14 | C15 | C16 | H25 | 69.4° | 60.0° |
| C13 | C14 | C15 | C16 | 68.5° | 175.0° |
| C14 | C13 | C04 | N03 | 74.4° | 64.5° |
| C14 | C13 | C04 | H3 | 120.7° | 120.0° |
| C14 | C13 | C04 | H4 | 120.7° | 120.0° |
| C14 | C13 | C04 | C05 | 170.7° | 175.5° |
| C14 | C13 | H3 | H4 | 117.8° | 119.9° |
| C13 | C14 | C15 | H5 | 49.3° | 55.0° |
| C14 | C13 | C04 | H13 | 48.9° | 55.5° |
| C13 | C14 | H22 | H23 | 118.5° | 120.0° |
| C15 | C16 | C17 | H24 | 120.6° | 120.0° |
| C15 | C16 | C17 | H25 | 120.6° | 120.0° |
| C15 | C16 | C17 | H6 | 70.8° | 180.0° |
| C15 | C16 | C17 | H7 | 170.4° | 60.0° |
| C16 | C15 | C20 | H8 | 74.6° | 180.0° |
| C16 | C15 | C20 | H9 | 166.7° | 60.0° |
| C16 | C15 | C14 | H22 | 51.9° | 65.0° |
| C16 | C15 | C14 | H23 | 171.0° | 55.0° |
| C15 | C16 | H24 | H25 | 118.3° | 120.0° |
| C17 | C16 | C15 | H5 | 72.2° | 60.0° |
| C16 | C17 | H6 | H7 | 118.3° | 120.0° |
| C17 | C16 | H24 | H25 | 118.3° | 120.1° |
| C16 | C17 | C18 | H26 | 168.3° | 60.0° |
| C16 | C17 | C18 | H27 | 73.1° | 180.0° |
| N03 | C04 | C13 | C05 | 114.9° | 120.0° |
| N03 | C04 | C13 | H13 | 123.4° | 120.0° |
| N03 | C04 | C05 | H13 | 121.5° | 120.0° |
| N03 | C04 | C05 | O12 | 114.8° | 27.0° |
| N03 | C04 | C05 | N06 | 64.3° | 152.9° |
| N03 | C04 | C13 | H3 | 164.8° | 55.5° |
| N03 | C04 | C13 | H4 | 46.3° | 175.5° |
| C13 | C04 | C05 | H13 | 122.1° | 120.0° |
| C13 | C04 | C05 | O12 | 1.6° | 93.0° |
| C13 | C04 | C05 | N06 | 179.3° | 87.0° |
| C04 | C13 | H3 | H4 | 117.7° | 120.1° |
| C13 | C04 | N03 | H12 | 78.9° | 24.9° |
| C04 | C13 | C14 | H22 | 177.5° | 60.0° |
| C04 | C13 | C14 | H23 | 58.4° | 60.0° |
| C04 | C05 | O12 | N06 | 179.1° | 180.0° |
| C04 | C05 | N06 | C11 | 1.4° | 4.9° |
| C04 | C05 | N06 | C07 | 179.7° | 175.1° |
| C05 | C04 | C13 | H3 | 49.9° | 64.5° |
| C05 | C04 | C13 | H4 | 68.6° | 55.5° |
| C05 | C04 | N03 | H12 | 37.1° | 95.1° |
| O12 | C05 | N06 | C11 | 179.4° | 175.1° |
| O12 | C05 | N06 | C07 | 1.2° | 4.9° |
| O12 | C05 | C04 | H13 | 123.7° | 147.0° |
| C05 | N06 | C11 | C07 | 178.4° | 180.0° |
| C05 | N06 | C11 | C10 | 129.5° | 128.8° |
| C05 | N06 | C07 | C08 | 129.8° | 128.8° |
| N06 | C05 | C04 | H13 | 57.2° | 32.9° |
| C05 | N06 | C07 | H14 | 9.4° | 9.1° |
| C05 | N06 | C07 | H15 | 109.6° | 111.5° |
| C05 | N06 | C11 | H20 | 110.0° | 9.1° |
| C05 | N06 | C11 | H21 | 9.0° | 111.5° |
| N06 | C11 | C10 | H20 | 120.5° | 119.7° |
| N06 | C11 | C10 | H21 | 120.5° | 119.8° |
| N06 | C11 | C10 | N09 | 48.0° | 53.8° |
| C11 | N06 | C07 | C08 | 48.6° | 51.2° |
| N06 | C11 | C10 | H1 | 168.6° | 66.1° |
| N06 | C11 | C10 | H2 | 72.6° | 173.8° |
| C11 | N06 | C07 | H14 | 169.1° | 170.9° |
| C11 | N06 | C07 | H15 | 71.9° | 68.5° |
| N06 | C11 | H20 | H21 | 118.4° | 120.5° |
| C10 | C11 | N06 | C07 | 48.9° | 51.2° |
| C11 | C10 | N09 | H1 | 120.6° | 119.9° |
| C11 | C10 | N09 | H2 | 120.6° | 120.0° |
| C11 | C10 | N09 | C08 | 47.1° | 63.1° |
| C11 | C10 | H1 | H2 | 118.1° | 120.1° |
| C11 | C10 | N09 | H18 | 73.6° | 61.1° |
| C10 | C11 | H20 | H21 | 118.5° | 120.5° |
| N06 | C07 | C08 | H14 | 120.5° | 119.7° |
| N06 | C07 | C08 | H15 | 120.5° | 119.7° |
| N06 | C07 | C08 | N09 | 47.2° | 53.8° |
| N06 | C07 | H14 | H15 | 118.5° | 120.5° |
| N06 | C07 | C08 | H16 | 73.5° | 66.1° |
| N06 | C07 | C08 | H17 | 167.9° | 173.8° |
| C07 | N06 | C11 | H20 | 71.6° | 170.9° |
| C07 | N06 | C11 | H21 | 169.4° | 68.5° |
| C10 | N09 | C08 | C07 | 47.2° | 63.1° |
| C10 | N09 | C08 | H18 | 120.8° | 124.2° |
| N09 | C10 | H1 | H2 | 118.1° | 120.1° |
| C10 | N09 | C08 | H16 | 73.5° | 56.8° |
| C10 | N09 | C08 | H17 | 167.9° | 176.9° |
| N09 | C10 | C11 | H20 | 72.5° | 173.5° |
| N09 | C10 | C11 | H21 | 168.5° | 65.9° |
| C07 | C08 | N09 | H16 | 120.7° | 120.0° |
| C07 | C08 | N09 | H17 | 120.7° | 120.0° |
| C08 | C07 | H14 | H15 | 118.5° | 120.5° |
| C07 | C08 | H16 | H17 | 117.8° | 120.1° |
| C07 | C08 | N09 | H18 | 73.6° | 61.1° |
| C08 | N09 | C10 | H1 | 167.8° | 56.8° |
| C08 | N09 | C10 | H2 | 73.5° | 176.9° |
| N09 | C08 | C07 | H14 | 167.6° | 173.5° |
| N09 | C08 | C07 | H15 | 73.3° | 65.9° |
| N09 | C08 | H16 | H17 | 117.8° | 120.0° |
| H1 | C10 | N09 | H18 | 47.0° | 179.0° |
| H1 | C10 | C11 | H20 | 48.1° | 53.6° |
| H1 | C10 | C11 | H21 | 70.9° | 174.2° |
| H2 | C10 | N09 | H18 | 165.7° | 58.9° |
| H2 | C10 | C11 | H20 | 166.9° | 66.5° |
| H2 | C10 | C11 | H21 | 47.9° | 54.1° |
| H3 | C13 | C04 | H13 | 71.8° | 175.5° |
| H3 | C13 | C14 | H22 | 61.8° | 180.0° |
| H3 | C13 | C14 | H23 | 179.1° | 60.0° |
| H4 | C13 | C04 | H13 | 169.7° | 64.5° |
| H4 | C13 | C14 | H22 | 56.7° | 60.0° |
| H4 | C13 | C14 | H23 | 62.3° | 180.0° |
| H5 | C15 | C20 | H8 | 163.9° | 60.0° |
| H5 | C15 | C20 | H9 | 45.3° | 180.0° |
| H5 | C15 | C14 | H22 | 169.8° | 175.1° |
| H5 | C15 | C14 | H23 | 71.1° | 65.0° |
| H5 | C15 | C16 | H24 | 167.2° | 180.0° |
| H5 | C15 | C16 | H25 | 48.3° | 60.0° |
| H6 | C17 | C16 | H24 | 168.7° | 60.0° |
| H6 | C17 | C16 | H25 | 49.8° | 60.0° |
| H6 | C17 | C18 | H26 | 47.7° | 60.0° |
| H6 | C17 | C18 | H27 | 166.3° | 60.0° |
| H7 | C17 | C16 | H24 | 49.8° | 180.0° |
| H7 | C17 | C16 | H25 | 69.1° | 60.0° |
| H7 | C17 | C18 | H26 | 71.2° | 180.0° |
| H7 | C17 | C18 | H27 | 47.4° | 60.0° |
| H8 | C20 | C19 | H28 | 162.1° | 60.1° |
| H8 | C20 | C19 | H29 | 43.7° | 60.0° |
| H9 | C20 | C19 | H28 | 43.5° | 180.0° |
| H9 | C20 | C19 | H29 | 74.9° | 59.9° |
| H10 | C22 | C23 | H30 | 0.3° | 0.3° |
| H11 | C24 | C25 | H31 | 0.2° | 0.1° |
| H12 | N03 | C04 | H13 | 158.0° | 144.9° |
| H14 | C07 | C08 | H16 | 46.9° | 53.6° |
| H14 | C07 | C08 | H17 | 71.7° | 66.5° |
| H15 | C07 | C08 | H16 | 166.0° | 174.2° |
| H15 | C07 | C08 | H17 | 47.4° | 54.1° |
| H16 | C08 | N09 | H18 | 165.7° | 179.0° |
| H17 | C08 | N09 | H18 | 47.1° | 59.0° |
| H26 | C18 | C19 | H28 | 44.5° | 180.0° |
| H26 | C18 | C19 | H29 | 73.9° | 60.0° |
| H27 | C18 | C19 | H28 | 163.1° | 60.0° |
| H27 | C18 | C19 | H29 | 44.7° | 60.1° |
| H32 | C27 | N28 | H34 | 33.0° | 120.0° |
| H33 | C27 | N28 | H34 | 153.1° | 120.0° |
| H37 | C35 | C36 | H38 | 0.1° | 0.1° |
| H38 | C36 | C37 | H39 | 0.1° | 0.1° |
| H39 | C37 | C38 | H40 | 0.1° | 0.1° |
| H40 | C38 | C39 | H41 | 0.0° | 0.3° |
