7J0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| C09 | C08 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C08 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | N06 | sing | 1.47Å | 1.50Å | |
| C13 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| N06 | C05 | sing | 1.35Å | 1.42Å | |
| C14 | C15 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | O20 | sing | 1.43Å | 1.42Å | |
| C05 | C04 | sing | 1.51Å | 1.59Å | |
| C05 | O18 | doub | 1.21Å | 1.21Å | |
| O20 | C19 | sing | 1.43Å | 1.42Å | |
| C04 | C19 | sing | 1.53Å | 1.58Å | |
| C04 | N03 | sing | 1.46Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.22Å | |
| C02 | N03 | sing | 1.35Å | 1.39Å | |
| C02 | C22 | sing | 1.51Å | 1.55Å | |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C41 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | C34 | sing | 1.53Å | 1.59Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | N25 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.60Å | |
| C22 | N32 | sing | 1.46Å | 1.50Å | |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.58Å | |
| N32 | C33 | sing | 1.35Å | 1.47Å | |
| C33 | O42 | doub | 1.21Å | 1.21Å | |
| C33 | C34 | sing | 1.51Å | 1.57Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| N25 | C24 | sing | 1.35Å | 1.44Å | |
| N25 | C26 | sing | 1.47Å | 1.50Å | |
| C24 | O31 | doub | 1.21Å | 1.21Å | |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C10 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| N03 | H27 | sing | 0.97Å | 1.00Å | |
| C04 | H28 | sing | 1.09Å | 1.10Å | |
| N06 | H29 | sing | 0.97Å | 1.00Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H31 | sing | 1.09Å | 1.10Å | |
| C09 | H32 | sing | 1.08Å | 1.08Å | |
| N32 | H33 | sing | 0.97Å | 1.00Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.08Å | 1.08Å | |
| C41 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.9° | 121.0° |
| C10 | C09 | C08 | 120.4° | 121.0° |
| C09 | C10 | H22 | 120.0° | 119.5° |
| C10 | C09 | H32 | 119.8° | 119.5° |
| C10 | C11 | C12 | 121.5° | 119.6° |
| C10 | C11 | H21 | 119.2° | 120.2° |
| C11 | C10 | H22 | 120.1° | 119.5° |
| C09 | C08 | C07 | 119.4° | 120.2° |
| C09 | C08 | C13 | 120.5° | 119.6° |
| C08 | C09 | H32 | 119.8° | 119.5° |
| C11 | C12 | C13 | 118.9° | 119.3° |
| C11 | C12 | C17 | 122.3° | 121.3° |
| C12 | C11 | H21 | 119.3° | 120.2° |
| C07 | C08 | C13 | 120.2° | 120.2° |
| C08 | C07 | N06 | 117.8° | 109.5° |
| C08 | C07 | H30 | 107.4° | 109.5° |
| C08 | C07 | H31 | 107.4° | 109.5° |
| C08 | C13 | C12 | 118.8° | 119.4° |
| C08 | C13 | C14 | 124.0° | 121.3° |
| C13 | C12 | C17 | 118.7° | 119.4° |
| C12 | C13 | C14 | 117.2° | 119.3° |
| C12 | C17 | C16 | 122.4° | 119.6° |
| C12 | C17 | H19 | 118.8° | 120.2° |
| C07 | N06 | C05 | 120.0° | 120.0° |
| C07 | N06 | H29 | 120.0° | 119.9° |
| N06 | C07 | H30 | 107.4° | 109.4° |
| N06 | C07 | H31 | 107.3° | 109.4° |
| C13 | C14 | C15 | 123.3° | 119.7° |
| C13 | C14 | H5 | 118.4° | 120.2° |
| C17 | C16 | C15 | 119.3° | 121.0° |
| C17 | C16 | H18 | 120.4° | 119.5° |
| C16 | C17 | H19 | 118.8° | 120.2° |
| N06 | C05 | C04 | 117.7° | 120.0° |
| N06 | C05 | O18 | 121.0° | 120.0° |
| C05 | N06 | H29 | 120.0° | 120.1° |
| C14 | C15 | C16 | 119.1° | 121.0° |
| C15 | C14 | H5 | 118.4° | 120.2° |
| C14 | C15 | H20 | 120.4° | 119.5° |
| C15 | C16 | H18 | 120.4° | 119.5° |
| C16 | C15 | H20 | 120.4° | 119.5° |
| C21 | O20 | C19 | 115.4° | 114.0° |
| O20 | C21 | H1 | 109.5° | 109.5° |
| O20 | C21 | H2 | 109.4° | 109.4° |
| O20 | C21 | H3 | 109.5° | 109.5° |
| C04 | C05 | O18 | 121.3° | 120.0° |
| C05 | C04 | C19 | 106.5° | 109.4° |
| C05 | C04 | N03 | 110.8° | 109.5° |
| C05 | C04 | H28 | 110.6° | 109.5° |
| O20 | C19 | C04 | 109.3° | 109.5° |
| O20 | C19 | H16 | 109.5° | 109.5° |
| O20 | C19 | H17 | 109.5° | 109.5° |
| C19 | C04 | N03 | 105.2° | 109.5° |
| C04 | C19 | H16 | 109.5° | 109.5° |
| C04 | C19 | H17 | 109.5° | 109.5° |
| C19 | C04 | H28 | 110.8° | 109.5° |
| C04 | N03 | C02 | 118.4° | 120.0° |
| C04 | N03 | H27 | 120.8° | 120.0° |
| N03 | C04 | H28 | 112.7° | 109.5° |
| O01 | C02 | N03 | 124.8° | 120.0° |
| O01 | C02 | C22 | 120.3° | 120.0° |
| N03 | C02 | C22 | 115.0° | 120.0° |
| C02 | N03 | H27 | 120.8° | 120.1° |
| C02 | C22 | C23 | 104.8° | 109.5° |
| C02 | C22 | N32 | 114.7° | 109.5° |
| C02 | C22 | H4 | 107.4° | 109.4° |
| C40 | C41 | C36 | 122.5° | 120.0° |
| C41 | C40 | C39 | 120.9° | 120.0° |
| C41 | C40 | H39 | 119.5° | 120.0° |
| C40 | C41 | H40 | 118.7° | 120.1° |
| C41 | C36 | C35 | 124.1° | 120.0° |
| C41 | C36 | C37 | 114.8° | 120.0° |
| C36 | C41 | H40 | 118.7° | 120.0° |
| C40 | C39 | C38 | 117.6° | 120.0° |
| C40 | C39 | H38 | 121.2° | 120.0° |
| C39 | C40 | H39 | 119.5° | 120.0° |
| C36 | C35 | C34 | 118.8° | 109.5° |
| C35 | C36 | C37 | 121.1° | 120.0° |
| C36 | C35 | H34 | 107.1° | 109.4° |
| C36 | C35 | H35 | 107.1° | 109.5° |
| C35 | C34 | C33 | 117.9° | 109.5° |
| C35 | C34 | H25 | 107.3° | 109.5° |
| C35 | C34 | H26 | 107.3° | 109.5° |
| C34 | C35 | H34 | 107.1° | 109.5° |
| C34 | C35 | H35 | 107.1° | 109.5° |
| C30 | C29 | C28 | 112.8° | 109.3° |
| C29 | C30 | N25 | 115.0° | 108.9° |
| C30 | C29 | H14 | 108.6° | 109.5° |
| C30 | C29 | H15 | 108.6° | 109.5° |
| C29 | C30 | H23 | 108.1° | 109.6° |
| C29 | C30 | H24 | 108.1° | 109.6° |
| C29 | C28 | C27 | 108.9° | 109.5° |
| C29 | C28 | H12 | 109.6° | 109.5° |
| C29 | C28 | H13 | 109.6° | 109.4° |
| C28 | C29 | H14 | 108.6° | 109.5° |
| C28 | C29 | H15 | 108.6° | 109.5° |
| C30 | N25 | C24 | 127.0° | 120.7° |
| C30 | N25 | C26 | 111.6° | 118.5° |
| N25 | C30 | H23 | 108.1° | 109.5° |
| N25 | C30 | H24 | 108.1° | 109.5° |
| C23 | C22 | N32 | 114.6° | 109.5° |
| C22 | C23 | C24 | 120.0° | 109.5° |
| C23 | C22 | H4 | 106.9° | 109.5° |
| C22 | C23 | H6 | 106.8° | 109.4° |
| C22 | C23 | H7 | 106.8° | 109.5° |
| C22 | N32 | C33 | 125.9° | 120.0° |
| N32 | C22 | H4 | 108.0° | 109.5° |
| C22 | N32 | H33 | 117.0° | 120.0° |
| C36 | C37 | C38 | 123.2° | 120.0° |
| C36 | C37 | H36 | 118.4° | 120.0° |
| C23 | C24 | N25 | 120.9° | 120.0° |
| C23 | C24 | O31 | 119.7° | 120.0° |
| C24 | C23 | H6 | 106.8° | 109.4° |
| C24 | C23 | H7 | 106.8° | 109.5° |
| N32 | C33 | O42 | 119.5° | 120.0° |
| N32 | C33 | C34 | 123.4° | 120.0° |
| C33 | N32 | H33 | 117.1° | 120.0° |
| O42 | C33 | C34 | 117.0° | 120.0° |
| C33 | C34 | H25 | 107.3° | 109.5° |
| C33 | C34 | H26 | 107.3° | 109.5° |
| C28 | C27 | C26 | 112.3° | 109.3° |
| C28 | C27 | H10 | 108.7° | 109.5° |
| C28 | C27 | H11 | 108.7° | 109.6° |
| C27 | C28 | H12 | 109.6° | 109.5° |
| C27 | C28 | H13 | 109.6° | 109.4° |
| C39 | C38 | C37 | 121.0° | 120.0° |
| C39 | C38 | H37 | 119.5° | 120.0° |
| C38 | C39 | H38 | 121.2° | 120.0° |
| C24 | N25 | C26 | 121.4° | 120.8° |
| N25 | C24 | O31 | 119.4° | 120.0° |
| N25 | C26 | C27 | 114.0° | 108.9° |
| N25 | C26 | H8 | 108.3° | 109.6° |
| N25 | C26 | H9 | 108.3° | 109.6° |
| C38 | C37 | H36 | 118.4° | 120.0° |
| C37 | C38 | H37 | 119.5° | 120.0° |
| C27 | C26 | H8 | 108.3° | 109.6° |
| C27 | C26 | H9 | 108.3° | 109.6° |
| C26 | C27 | H10 | 108.8° | 109.5° |
| C26 | C27 | H11 | 108.8° | 109.5° |
| H1 | C21 | H2 | 109.5° | 109.5° |
| H1 | C21 | H3 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.6° |
| H10 | C27 | H11 | 109.5° | 109.4° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H14 | C29 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.4° | 109.7° |
| H25 | C34 | H26 | 109.4° | 109.4° |
| H30 | C07 | H31 | 109.5° | 109.4° |
| H34 | C35 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H22 | 180.0° | 180.0° |
| C10 | C09 | C08 | H32 | 180.0° | 179.4° |
| C09 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C09 | C08 | C07 | 180.0° | 179.7° |
| C10 | C09 | C08 | C13 | 0.3° | 0.9° |
| C09 | C10 | C11 | H21 | 179.9° | 179.7° |
| C11 | C10 | C09 | C08 | 0.3° | 0.6° |
| C10 | C11 | C12 | H21 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.3° |
| C10 | C11 | C12 | C17 | 179.9° | 179.7° |
| C11 | C10 | C09 | H32 | 179.7° | 180.0° |
| C09 | C08 | C07 | C13 | 179.8° | 179.4° |
| C09 | C08 | C13 | C12 | 0.1° | 0.6° |
| C09 | C08 | C07 | N06 | 106.2° | 100.6° |
| C09 | C08 | C13 | C14 | 179.9° | 179.4° |
| C08 | C09 | C10 | H22 | 179.7° | 179.4° |
| C09 | C08 | C07 | H30 | 132.5° | 139.4° |
| C09 | C08 | C07 | H31 | 14.9° | 19.3° |
| C11 | C12 | C13 | C08 | 0.0° | 0.0° |
| C11 | C12 | C13 | C17 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C11 | C12 | C17 | C16 | 179.8° | 179.9° |
| C11 | C12 | C17 | H19 | 0.2° | 0.1° |
| C12 | C11 | C10 | H22 | 179.8° | 180.0° |
| C07 | C08 | C13 | C12 | 179.9° | 179.9° |
| C08 | C07 | N06 | H30 | 121.2° | 120.0° |
| C08 | C07 | N06 | H31 | 121.2° | 120.0° |
| C07 | C08 | C13 | C14 | 0.2° | 0.0° |
| C08 | C07 | N06 | C05 | 108.0° | 180.0° |
| C08 | C07 | N06 | H29 | 72.0° | 0.0° |
| C08 | C07 | H30 | H31 | 116.2° | 120.1° |
| C07 | C08 | C09 | H32 | 0.0° | 0.4° |
| C08 | C13 | C12 | C14 | 179.9° | 179.9° |
| C08 | C13 | C12 | C17 | 179.9° | 180.0° |
| C13 | C08 | C07 | N06 | 73.5° | 80.0° |
| C08 | C13 | C14 | C15 | 179.9° | 179.9° |
| C08 | C13 | C14 | H5 | 0.1° | 0.1° |
| C13 | C08 | C07 | H30 | 47.7° | 40.0° |
| C13 | C08 | C07 | H31 | 165.3° | 160.0° |
| C13 | C08 | C09 | H32 | 179.7° | 179.7° |
| C13 | C12 | C17 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H5 | 180.0° | 179.9° |
| C13 | C12 | C17 | H19 | 179.6° | 180.0° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.1° |
| C12 | C17 | C16 | H19 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.4° | 0.0° |
| C12 | C17 | C16 | H18 | 179.7° | 180.0° |
| C17 | C12 | C11 | H21 | 0.1° | 0.0° |
| C07 | N06 | C05 | H29 | 180.0° | 180.0° |
| C07 | N06 | C05 | C04 | 179.4° | 180.0° |
| C07 | N06 | C05 | O18 | 0.6° | 0.1° |
| N06 | C07 | H30 | H31 | 116.2° | 119.9° |
| C13 | C14 | C15 | H5 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.0° | 0.1° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | H20 | 179.8° | 180.0° |
| N06 | C05 | C04 | O18 | 178.8° | 179.9° |
| N06 | C05 | C04 | C19 | 99.3° | 60.0° |
| N06 | C05 | C04 | N03 | 146.9° | 180.0° |
| N06 | C05 | C04 | H28 | 21.2° | 59.9° |
| C05 | N06 | C07 | H30 | 13.2° | 59.9° |
| C05 | N06 | C07 | H31 | 130.8° | 60.0° |
| C14 | C15 | C16 | H20 | 180.0° | 179.9° |
| C14 | C15 | C16 | H18 | 179.8° | 180.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C16 | C17 | H19 | 179.6° | 180.0° |
| C21 | O20 | C19 | C04 | 123.8° | 180.0° |
| O20 | C21 | H1 | H2 | 120.0° | 120.0° |
| O20 | C21 | H1 | H3 | 120.0° | 120.0° |
| O20 | C21 | H2 | H3 | 120.0° | 120.0° |
| C21 | O20 | C19 | H16 | 3.9° | 59.9° |
| C21 | O20 | C19 | H17 | 116.2° | 60.0° |
| C05 | C04 | C19 | O20 | 120.7° | 55.0° |
| C05 | C04 | C19 | N03 | 117.6° | 120.0° |
| C05 | C04 | C19 | H28 | 120.3° | 120.0° |
| C05 | C04 | N03 | H28 | 124.5° | 120.0° |
| C05 | C04 | N03 | C02 | 103.5° | 155.1° |
| C05 | C04 | C19 | H16 | 0.7° | 175.0° |
| C05 | C04 | C19 | H17 | 119.4° | 65.0° |
| C05 | C04 | N03 | H27 | 76.4° | 25.0° |
| C04 | C05 | N06 | H29 | 0.6° | 0.0° |
| O18 | C05 | C04 | C19 | 81.9° | 120.1° |
| O18 | C05 | C04 | N03 | 31.9° | 0.1° |
| O18 | C05 | C04 | H28 | 157.6° | 120.0° |
| O18 | C05 | N06 | H29 | 179.4° | 179.9° |
| O20 | C19 | C04 | H16 | 120.0° | 120.0° |
| O20 | C19 | C04 | H17 | 119.9° | 120.0° |
| O20 | C19 | C04 | N03 | 121.7° | 65.0° |
| C19 | O20 | C21 | H1 | 180.0° | 180.0° |
| C19 | O20 | C21 | H2 | 60.0° | 60.0° |
| C19 | O20 | C21 | H3 | 60.0° | 60.0° |
| O20 | C19 | H16 | H17 | 120.1° | 120.0° |
| O20 | C19 | C04 | H28 | 0.4° | 175.0° |
| C19 | C04 | N03 | H28 | 120.8° | 120.0° |
| C19 | C04 | N03 | C02 | 141.7° | 85.0° |
| C04 | C19 | H16 | H17 | 120.1° | 120.0° |
| C19 | C04 | N03 | H27 | 38.3° | 95.0° |
| C04 | N03 | C02 | O01 | 2.4° | 0.0° |
| C04 | N03 | C02 | H27 | 180.0° | 180.0° |
| C04 | N03 | C02 | C22 | 178.0° | 180.0° |
| N03 | C04 | C19 | H16 | 118.4° | 55.0° |
| N03 | C04 | C19 | H17 | 1.7° | 175.0° |
| O01 | C02 | N03 | C22 | 179.6° | 180.0° |
| O01 | C02 | C22 | C23 | 96.7° | 120.0° |
| O01 | C02 | C22 | N32 | 29.9° | 0.0° |
| O01 | C02 | C22 | H4 | 149.9° | 120.0° |
| O01 | C02 | N03 | H27 | 177.6° | 180.0° |
| N03 | C02 | C22 | C23 | 83.7° | 59.9° |
| N03 | C02 | C22 | N32 | 149.7° | 180.0° |
| N03 | C02 | C22 | H4 | 29.7° | 60.0° |
| C02 | N03 | C04 | H28 | 21.0° | 35.0° |
| C02 | C22 | C23 | N32 | 126.7° | 120.0° |
| C02 | C22 | C23 | H4 | 113.8° | 120.0° |
| C02 | C22 | N32 | H4 | 119.7° | 120.0° |
| C02 | C22 | C23 | C24 | 179.3° | 174.4° |
| C02 | C22 | N32 | C33 | 74.6° | 81.7° |
| C02 | C22 | C23 | H6 | 57.8° | 65.7° |
| C02 | C22 | C23 | H7 | 59.2° | 54.3° |
| C22 | C02 | N03 | H27 | 2.0° | 0.0° |
| C02 | C22 | N32 | H33 | 105.4° | 98.3° |
| C40 | C41 | C36 | H40 | 180.0° | 179.5° |
| C41 | C40 | C39 | H39 | 180.0° | 179.8° |
| C40 | C41 | C36 | C35 | 180.0° | 179.7° |
| C40 | C41 | C36 | C37 | 0.1° | 0.6° |
| C41 | C40 | C39 | C38 | 0.1° | 0.3° |
| C41 | C40 | C39 | H38 | 179.8° | 179.8° |
| C36 | C41 | C40 | C39 | 0.2° | 0.5° |
| C41 | C36 | C35 | C37 | 179.9° | 179.7° |
| C41 | C36 | C35 | C34 | 173.1° | 90.3° |
| C41 | C36 | C37 | C38 | 0.0° | 0.3° |
| C41 | C36 | C35 | H34 | 51.7° | 149.7° |
| C41 | C36 | C35 | H35 | 65.6° | 29.7° |
| C41 | C36 | C37 | H36 | 180.0° | 179.8° |
| C36 | C41 | C40 | H39 | 179.9° | 179.7° |
| C40 | C39 | C38 | H38 | 180.0° | 179.9° |
| C40 | C39 | C38 | C37 | 0.1° | 0.0° |
| C40 | C39 | C38 | H37 | 179.9° | 180.0° |
| C39 | C40 | C41 | H40 | 179.8° | 180.0° |
| C36 | C35 | C34 | H34 | 121.3° | 119.9° |
| C36 | C35 | C34 | H35 | 121.3° | 120.0° |
| C36 | C35 | C34 | C33 | 150.8° | 179.9° |
| C35 | C36 | C37 | C38 | 179.9° | 180.0° |
| C36 | C35 | C34 | H25 | 29.6° | 60.0° |
| C36 | C35 | C34 | H26 | 88.0° | 60.0° |
| C36 | C35 | H34 | H35 | 115.7° | 120.0° |
| C35 | C36 | C37 | H36 | 0.1° | 0.1° |
| C35 | C36 | C41 | H40 | 0.0° | 0.3° |
| C34 | C35 | C36 | C37 | 7.1° | 90.0° |
| C35 | C34 | C33 | N32 | 110.6° | 179.7° |
| C35 | C34 | C33 | O42 | 68.9° | 0.1° |
| C35 | C34 | C33 | H25 | 121.2° | 120.0° |
| C35 | C34 | C33 | H26 | 121.2° | 120.0° |
| C35 | C34 | H25 | H26 | 116.1° | 120.0° |
| C34 | C35 | H34 | H35 | 115.8° | 120.0° |
| C30 | C29 | C28 | H14 | 120.5° | 119.9° |
| C30 | C29 | C28 | H15 | 120.5° | 120.0° |
| C29 | C30 | N25 | H23 | 120.8° | 119.8° |
| C29 | C30 | N25 | H24 | 120.8° | 119.9° |
| C30 | C29 | C28 | C27 | 53.2° | 61.3° |
| C29 | C30 | N25 | C24 | 134.2° | 126.4° |
| C29 | C30 | N25 | C26 | 48.1° | 53.5° |
| C30 | C29 | C28 | H12 | 66.8° | 178.6° |
| C30 | C29 | C28 | H13 | 173.1° | 58.6° |
| C30 | C29 | H14 | H15 | 118.5° | 120.1° |
| C29 | C30 | H23 | H24 | 117.5° | 120.4° |
| C28 | C29 | C30 | N25 | 51.9° | 54.7° |
| C29 | C28 | C27 | H12 | 119.9° | 120.0° |
| C29 | C28 | C27 | H13 | 119.9° | 120.0° |
| C29 | C28 | C27 | C26 | 54.4° | 61.3° |
| C29 | C28 | C27 | H10 | 174.8° | 58.6° |
| C29 | C28 | C27 | H11 | 66.0° | 178.6° |
| C29 | C28 | H12 | H13 | 120.2° | 120.0° |
| C28 | C29 | H14 | H15 | 118.5° | 120.1° |
| C28 | C29 | C30 | H23 | 172.7° | 174.4° |
| C28 | C29 | C30 | H24 | 69.0° | 65.2° |
| C30 | N25 | C24 | C23 | 1.1° | 180.0° |
| C30 | N25 | C24 | C26 | 177.5° | 179.9° |
| C30 | N25 | C24 | O31 | 178.6° | 0.1° |
| C30 | N25 | C26 | C27 | 49.1° | 53.5° |
| C30 | N25 | C26 | H8 | 169.7° | 66.4° |
| C30 | N25 | C26 | H9 | 71.6° | 173.4° |
| N25 | C30 | C29 | H14 | 172.3° | 65.3° |
| N25 | C30 | C29 | H15 | 68.6° | 174.6° |
| N25 | C30 | H23 | H24 | 117.5° | 120.3° |
| C23 | C22 | N32 | H4 | 118.9° | 120.0° |
| C22 | C23 | C24 | H6 | 121.5° | 119.9° |
| C22 | C23 | C24 | H7 | 121.5° | 120.1° |
| C23 | C22 | N32 | C33 | 164.0° | 158.3° |
| C22 | C23 | C24 | N25 | 120.7° | 174.7° |
| C22 | C23 | C24 | O31 | 59.1° | 5.4° |
| C22 | C23 | H6 | H7 | 115.2° | 120.0° |
| C23 | C22 | N32 | H33 | 16.0° | 21.7° |
| N32 | C22 | C23 | C24 | 52.6° | 65.6° |
| C22 | N32 | C33 | H33 | 180.0° | 180.0° |
| C22 | N32 | C33 | O42 | 0.5° | 4.8° |
| C22 | N32 | C33 | C34 | 180.0° | 174.8° |
| N32 | C22 | C23 | H6 | 68.8° | 54.3° |
| N32 | C22 | C23 | H7 | 174.1° | 174.4° |
| C36 | C37 | C38 | C39 | 0.0° | 0.1° |
| C36 | C37 | C38 | H36 | 180.0° | 179.9° |
| C37 | C36 | C35 | H34 | 128.4° | 30.0° |
| C37 | C36 | C35 | H35 | 114.3° | 150.0° |
| C36 | C37 | C38 | H37 | 179.9° | 179.9° |
| C37 | C36 | C41 | H40 | 179.9° | 180.0° |
| C23 | C24 | N25 | O31 | 179.8° | 179.9° |
| C23 | C24 | N25 | C26 | 178.6° | 0.2° |
| C24 | C23 | C22 | H4 | 66.9° | 54.5° |
| C24 | C23 | H6 | H7 | 115.3° | 120.0° |
| N32 | C33 | O42 | C34 | 179.6° | 179.7° |
| C33 | N32 | C22 | H4 | 45.1° | 38.3° |
| N32 | C33 | C34 | H25 | 128.2° | 59.7° |
| N32 | C33 | C34 | H26 | 10.6° | 60.3° |
| O42 | C33 | C34 | H25 | 52.3° | 120.0° |
| O42 | C33 | C34 | H26 | 169.9° | 120.0° |
| O42 | C33 | N32 | H33 | 179.5° | 175.1° |
| C33 | C34 | H25 | H26 | 116.2° | 120.0° |
| C34 | C33 | N32 | H33 | 0.0° | 5.2° |
| C33 | C34 | C35 | H34 | 87.9° | 60.0° |
| C33 | C34 | C35 | H35 | 29.5° | 60.0° |
| C28 | C27 | C26 | N25 | 54.0° | 54.7° |
| C28 | C27 | C26 | H10 | 120.4° | 119.9° |
| C28 | C27 | C26 | H11 | 120.4° | 120.1° |
| C28 | C27 | C26 | H8 | 174.6° | 65.2° |
| C28 | C27 | C26 | H9 | 66.7° | 174.5° |
| C28 | C27 | H10 | H11 | 118.7° | 120.1° |
| C27 | C28 | H12 | H13 | 120.3° | 119.9° |
| C27 | C28 | C29 | H14 | 173.6° | 58.6° |
| C27 | C28 | C29 | H15 | 67.3° | 178.7° |
| C39 | C38 | C37 | H37 | 180.0° | 180.0° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C38 | C39 | C40 | H39 | 179.9° | 180.0° |
| C24 | N25 | C26 | C27 | 133.1° | 126.3° |
| N25 | C24 | C23 | H6 | 0.8° | 54.8° |
| N25 | C24 | C23 | H7 | 117.8° | 65.2° |
| C24 | N25 | C26 | H8 | 12.4° | 113.7° |
| C24 | N25 | C26 | H9 | 106.3° | 6.5° |
| C24 | N25 | C30 | H23 | 13.4° | 6.5° |
| C24 | N25 | C30 | H24 | 105.0° | 113.8° |
| C26 | N25 | C24 | O31 | 1.2° | 179.9° |
| N25 | C26 | C27 | H8 | 120.7° | 119.9° |
| N25 | C26 | C27 | H9 | 120.6° | 119.8° |
| N25 | C26 | H8 | H9 | 117.9° | 120.2° |
| N25 | C26 | C27 | H10 | 174.4° | 65.2° |
| N25 | C26 | C27 | H11 | 66.4° | 174.8° |
| C26 | N25 | C30 | H23 | 168.9° | 173.3° |
| C26 | N25 | C30 | H24 | 72.7° | 66.3° |
| O31 | C24 | C23 | H6 | 179.5° | 125.3° |
| O31 | C24 | C23 | H7 | 62.4° | 114.7° |
| C37 | C38 | C39 | H38 | 179.9° | 180.0° |
| C27 | C26 | H8 | H9 | 117.9° | 120.3° |
| C26 | C27 | H10 | H11 | 118.7° | 120.1° |
| C26 | C27 | C28 | H12 | 65.5° | 178.6° |
| C26 | C27 | C28 | H13 | 174.3° | 58.6° |
| H1 | C21 | H2 | H3 | 120.0° | 120.0° |
| H4 | C22 | C23 | H6 | 171.6° | 174.4° |
| H4 | C22 | C23 | H7 | 54.6° | 65.6° |
| H4 | C22 | N32 | H33 | 134.9° | 141.7° |
| H5 | C14 | C15 | H20 | 0.0° | 0.2° |
| H8 | C26 | C27 | H10 | 64.9° | 174.9° |
| H8 | C26 | C27 | H11 | 54.2° | 54.8° |
| H9 | C26 | C27 | H10 | 53.8° | 54.6° |
| H9 | C26 | C27 | H11 | 172.9° | 65.4° |
| H10 | C27 | C28 | H12 | 54.9° | 61.4° |
| H10 | C27 | C28 | H13 | 65.3° | 178.6° |
| H11 | C27 | C28 | H12 | 174.1° | 58.6° |
| H11 | C27 | C28 | H13 | 53.9° | 61.4° |
| H12 | C28 | C29 | H14 | 53.7° | 61.4° |
| H12 | C28 | C29 | H15 | 172.8° | 58.7° |
| H13 | C28 | C29 | H14 | 66.4° | 178.6° |
| H13 | C28 | C29 | H15 | 52.6° | 61.3° |
| H14 | C29 | C30 | H23 | 66.9° | 54.5° |
| H14 | C29 | C30 | H24 | 51.5° | 174.9° |
| H15 | C29 | C30 | H23 | 52.2° | 65.6° |
| H15 | C29 | C30 | H24 | 170.5° | 54.8° |
| H16 | C19 | C04 | H28 | 119.6° | 65.0° |
| H17 | C19 | C04 | H28 | 120.3° | 54.9° |
| H18 | C16 | C17 | H19 | 0.4° | 0.0° |
| H18 | C16 | C15 | H20 | 0.2° | 0.0° |
| H21 | C11 | C10 | H22 | 0.1° | 0.3° |
| H22 | C10 | C09 | H32 | 0.3° | 0.0° |
| H25 | C34 | C35 | H34 | 150.9° | 179.9° |
| H25 | C34 | C35 | H35 | 91.8° | 60.0° |
| H26 | C34 | C35 | H34 | 33.4° | 60.0° |
| H26 | C34 | C35 | H35 | 150.7° | 180.0° |
| H27 | N03 | C04 | H28 | 159.1° | 145.0° |
| H29 | N06 | C07 | H30 | 166.8° | 120.1° |
| H29 | N06 | C07 | H31 | 49.2° | 120.0° |
| H36 | C37 | C38 | H37 | 0.1° | 0.0° |
| H37 | C38 | C39 | H38 | 0.1° | 0.0° |
| H38 | C39 | C40 | H39 | 0.2° | 0.0° |
| H39 | C40 | C41 | H40 | 0.1° | 0.2° |
