J3P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.48Å | |
| O08 | C07 | doub | 1.21Å | 1.28Å | |
| O09 | C07 | sing | 1.34Å | 1.23Å | |
| C17 | O16 | sing | 1.43Å | 1.45Å | |
| C07 | C06 | sing | 1.51Å | 1.54Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.44Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| O16 | C15 | sing | 1.36Å | 1.33Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C10 | sing | 1.51Å | 1.56Å | |
| C06 | O05 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.62Å | |
| C29 | C34 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C41 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | N22 | sing | 1.33Å | 1.35Å | Aromatic |
| C40 | C41 | doub | 1.40Å | 1.45Å | Aromatic |
| C40 | C39 | sing | 1.36Å | 1.37Å | Aromatic |
| C41 | C36 | sing | 1.42Å | 1.45Å | Aromatic |
| C35 | N27 | sing | 1.35Å | 1.41Å | Aromatic |
| C35 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C28 | N27 | sing | 1.47Å | 1.61Å | |
| C39 | C38 | doub | 1.39Å | 1.44Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.31Å | Aromatic |
| C36 | C23 | sing | 1.42Å | 1.45Å | Aromatic |
| C36 | C37 | doub | 1.40Å | 1.43Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.44Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C38 | C37 | sing | 1.36Å | 1.39Å | Aromatic |
| N27 | N26 | sing | 1.40Å | 1.42Å | Aromatic |
| O05 | C02 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N26 | C25 | doub | 1.31Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| O09 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 109.6° | 108.5° |
| C18 | C19 | C20 | 116.3° | 109.7° |
| C19 | C18 | H19 | 109.4° | 109.7° |
| C19 | C18 | H20 | 109.4° | 109.7° |
| C18 | C19 | H21 | 107.8° | 109.4° |
| C18 | C19 | H22 | 107.7° | 109.4° |
| C18 | C17 | O16 | 114.4° | 108.5° |
| C18 | C17 | H2 | 108.2° | 109.7° |
| C18 | C17 | H3 | 108.2° | 109.6° |
| C17 | C18 | H19 | 109.5° | 109.3° |
| C17 | C18 | H20 | 109.4° | 109.9° |
| C19 | C20 | C21 | 123.1° | 118.7° |
| C19 | C20 | C15 | 119.6° | 121.4° |
| C20 | C19 | H21 | 107.7° | 109.2° |
| C20 | C19 | H22 | 107.8° | 109.7° |
| O08 | C07 | O09 | 127.7° | 120.0° |
| O08 | C07 | C06 | 113.1° | 120.0° |
| O09 | C07 | C06 | 119.2° | 120.0° |
| C07 | O09 | H17 | 109.5° | 117.0° |
| C17 | O16 | C15 | 120.1° | 117.9° |
| O16 | C17 | H2 | 108.2° | 109.7° |
| O16 | C17 | H3 | 108.2° | 109.7° |
| C07 | C06 | C10 | 114.2° | 109.4° |
| C07 | C06 | O05 | 107.7° | 109.5° |
| C07 | C06 | H16 | 106.3° | 109.4° |
| C21 | C20 | C15 | 117.3° | 119.9° |
| C20 | C21 | C12 | 124.0° | 120.2° |
| C20 | C21 | H4 | 118.0° | 119.9° |
| C20 | C15 | O16 | 123.0° | 121.7° |
| C20 | C15 | C14 | 120.3° | 119.9° |
| C21 | C12 | C11 | 123.1° | 120.1° |
| C21 | C12 | C13 | 116.9° | 119.7° |
| C12 | C21 | H4 | 118.0° | 119.9° |
| C30 | C31 | C32 | 122.1° | 120.0° |
| C31 | C30 | C29 | 122.6° | 120.0° |
| C31 | C30 | H24 | 118.7° | 120.0° |
| C30 | C31 | H25 | 118.9° | 120.0° |
| C31 | C32 | C33 | 116.7° | 120.0° |
| C32 | C31 | H25 | 119.0° | 120.0° |
| C31 | C32 | H26 | 121.7° | 120.0° |
| C30 | C29 | C28 | 122.5° | 120.0° |
| C30 | C29 | C34 | 114.1° | 120.0° |
| C29 | C30 | H24 | 118.7° | 120.0° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C33 | C32 | H26 | 121.7° | 120.0° |
| C32 | C33 | H27 | 119.8° | 120.0° |
| O16 | C15 | C14 | 116.7° | 118.4° |
| C15 | C14 | C13 | 121.1° | 120.4° |
| C15 | C14 | H18 | 119.5° | 119.8° |
| C10 | C06 | O05 | 114.3° | 109.5° |
| C06 | C10 | C11 | 117.9° | 120.6° |
| C06 | C10 | C41 | 125.1° | 120.6° |
| C10 | C06 | H16 | 106.1° | 109.5° |
| C06 | O05 | C02 | 119.8° | 114.0° |
| O05 | C06 | H16 | 107.7° | 109.5° |
| C11 | C12 | C13 | 120.1° | 120.2° |
| C12 | C11 | C10 | 124.3° | 119.2° |
| C12 | C11 | N22 | 112.2° | 119.2° |
| C12 | C13 | C14 | 120.4° | 119.9° |
| C12 | C13 | H1 | 119.8° | 120.0° |
| C28 | C29 | C34 | 123.4° | 120.0° |
| C29 | C28 | N27 | 118.4° | 109.5° |
| C29 | C28 | H5 | 107.2° | 109.5° |
| C29 | C28 | H6 | 107.2° | 109.5° |
| C29 | C34 | C33 | 124.2° | 120.0° |
| C29 | C34 | H28 | 117.9° | 120.1° |
| C11 | C10 | C41 | 117.0° | 118.7° |
| C10 | C11 | N22 | 123.4° | 121.6° |
| C10 | C41 | C40 | 123.2° | 122.1° |
| C10 | C41 | C36 | 120.6° | 118.4° |
| C11 | N22 | C23 | 121.2° | 122.5° |
| C41 | C40 | C39 | 123.6° | 119.5° |
| C40 | C41 | C36 | 116.2° | 119.5° |
| C41 | C40 | H33 | 118.2° | 120.2° |
| C40 | C39 | C38 | 118.8° | 120.9° |
| C40 | C39 | H32 | 120.6° | 119.5° |
| C39 | C40 | H33 | 118.2° | 120.3° |
| C41 | C36 | C23 | 114.8° | 118.7° |
| C41 | C36 | C37 | 119.8° | 119.4° |
| N27 | C35 | C24 | 110.1° | 107.6° |
| C35 | N27 | C28 | 126.3° | 125.8° |
| C35 | N27 | N26 | 107.4° | 108.3° |
| N27 | C35 | H29 | 125.0° | 126.2° |
| C35 | C24 | C23 | 121.3° | 126.2° |
| C35 | C24 | C25 | 106.0° | 107.5° |
| C24 | C35 | H29 | 124.9° | 126.2° |
| C28 | N27 | N26 | 126.3° | 125.8° |
| N27 | C28 | H5 | 107.2° | 109.4° |
| N27 | C28 | H6 | 107.2° | 109.5° |
| C39 | C38 | C37 | 120.4° | 121.1° |
| C39 | C38 | H31 | 119.8° | 119.5° |
| C38 | C39 | H32 | 120.6° | 119.6° |
| N22 | C23 | C36 | 122.9° | 120.0° |
| N22 | C23 | C24 | 112.3° | 120.0° |
| C23 | C36 | C37 | 125.4° | 121.9° |
| C36 | C23 | C24 | 124.8° | 120.0° |
| C36 | C37 | C38 | 121.2° | 119.6° |
| C36 | C37 | H30 | 119.4° | 120.2° |
| C34 | C33 | H27 | 119.8° | 120.0° |
| C33 | C34 | H28 | 117.9° | 119.9° |
| C23 | C24 | C25 | 132.5° | 126.3° |
| C38 | C37 | H30 | 119.4° | 120.2° |
| C37 | C38 | H31 | 119.8° | 119.4° |
| N27 | N26 | C25 | 107.0° | 108.6° |
| O05 | C02 | C01 | 113.9° | 109.5° |
| O05 | C02 | C04 | 106.7° | 109.5° |
| O05 | C02 | C03 | 110.3° | 109.4° |
| C24 | C25 | N26 | 109.5° | 108.0° |
| C24 | C25 | H23 | 125.3° | 126.0° |
| C14 | C13 | H1 | 119.8° | 120.1° |
| C13 | C14 | H18 | 119.4° | 119.8° |
| N26 | C25 | H23 | 125.3° | 126.0° |
| C01 | C02 | C04 | 107.9° | 109.5° |
| C01 | C02 | C03 | 110.4° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.4° |
| C02 | C01 | H9 | 109.4° | 109.4° |
| C04 | C02 | C03 | 107.3° | 109.5° |
| C02 | C04 | H13 | 109.5° | 109.4° |
| C02 | C04 | H14 | 109.5° | 109.5° |
| C02 | C04 | H15 | 109.5° | 109.4° |
| C02 | C03 | H10 | 109.5° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.7° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H10 | C03 | H11 | 109.4° | 109.4° |
| H10 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.4° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H13 | C04 | H15 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.8° |
| H21 | C19 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H19 | 120.0° | 119.6° |
| C19 | C18 | C17 | H20 | 120.0° | 119.9° |
| C18 | C19 | C20 | H21 | 121.0° | 119.9° |
| C18 | C19 | C20 | H22 | 121.0° | 120.2° |
| C19 | C18 | C17 | O16 | 47.2° | 64.5° |
| C18 | C19 | C20 | C21 | 167.0° | 162.1° |
| C18 | C19 | C20 | C15 | 12.2° | 17.9° |
| C19 | C18 | C17 | H2 | 168.0° | 175.7° |
| C19 | C18 | C17 | H3 | 73.5° | 55.3° |
| C19 | C18 | H19 | H20 | 119.9° | 120.6° |
| C18 | C19 | H21 | H22 | 116.9° | 119.9° |
| C17 | C18 | C19 | C20 | 35.6° | 48.0° |
| C18 | C17 | O16 | H2 | 120.7° | 119.8° |
| C18 | C17 | O16 | H3 | 120.7° | 119.7° |
| C18 | C17 | O16 | C15 | 36.5° | 49.2° |
| C18 | C17 | H2 | H3 | 117.8° | 120.4° |
| C17 | C18 | H19 | H20 | 119.9° | 120.5° |
| C17 | C18 | C19 | H21 | 85.3° | 71.8° |
| C17 | C18 | C19 | H22 | 156.7° | 168.3° |
| C19 | C20 | C21 | C15 | 179.3° | 180.0° |
| C19 | C20 | C21 | C12 | 178.3° | 179.5° |
| C19 | C20 | C15 | O16 | 2.3° | 0.9° |
| C19 | C20 | C15 | C14 | 178.8° | 179.5° |
| C19 | C20 | C21 | H4 | 1.7° | 0.2° |
| C20 | C19 | C18 | H19 | 84.4° | 71.4° |
| C20 | C19 | C18 | H20 | 155.7° | 168.0° |
| C20 | C19 | H21 | H22 | 116.9° | 120.1° |
| O08 | C07 | O09 | C06 | 177.8° | 179.9° |
| O08 | C07 | C06 | C10 | 42.3° | 118.6° |
| O08 | C07 | C06 | O05 | 170.4° | 1.4° |
| O08 | C07 | C06 | H16 | 74.4° | 121.4° |
| O08 | C07 | O09 | H17 | 0.0° | 0.1° |
| O09 | C07 | C06 | C10 | 139.6° | 61.4° |
| O09 | C07 | C06 | O05 | 11.5° | 178.6° |
| O09 | C07 | C06 | H16 | 103.8° | 58.6° |
| C17 | O16 | C15 | C20 | 10.2° | 17.5° |
| C17 | O16 | C15 | C14 | 168.7° | 162.9° |
| O16 | C17 | H2 | H3 | 117.7° | 120.5° |
| O16 | C17 | C18 | H19 | 72.8° | 55.1° |
| O16 | C17 | C18 | H20 | 167.2° | 175.6° |
| C07 | C06 | C10 | O05 | 124.7° | 120.0° |
| C07 | C06 | C10 | H16 | 116.8° | 119.9° |
| C07 | C06 | O05 | H16 | 114.3° | 120.0° |
| C07 | C06 | C10 | C11 | 109.3° | 112.2° |
| C07 | C06 | C10 | C41 | 71.9° | 68.2° |
| C07 | C06 | O05 | C02 | 141.3° | 103.2° |
| C06 | C07 | O09 | H17 | 177.8° | 180.0° |
| C20 | C21 | C12 | H4 | 180.0° | 179.7° |
| C21 | C20 | C15 | O16 | 178.4° | 179.1° |
| C21 | C20 | C15 | C14 | 0.5° | 0.5° |
| C20 | C21 | C12 | C11 | 180.0° | 180.0° |
| C20 | C21 | C12 | C13 | 0.5° | 0.1° |
| C21 | C20 | C19 | H21 | 72.0° | 77.9° |
| C21 | C20 | C19 | H22 | 46.0° | 42.0° |
| C15 | C20 | C21 | C12 | 1.0° | 0.5° |
| C20 | C15 | O16 | C14 | 178.9° | 179.6° |
| C20 | C15 | C14 | C13 | 0.5° | 0.1° |
| C15 | C20 | C21 | H4 | 179.0° | 179.9° |
| C20 | C15 | C14 | H18 | 179.5° | 179.9° |
| C15 | C20 | C19 | H21 | 108.8° | 102.1° |
| C15 | C20 | C19 | H22 | 133.2° | 138.0° |
| C21 | C12 | C11 | C13 | 179.5° | 179.9° |
| C21 | C12 | C11 | C10 | 70.0° | 134.4° |
| C21 | C12 | C11 | N22 | 107.3° | 45.6° |
| C21 | C12 | C13 | C14 | 0.6° | 0.3° |
| C21 | C12 | C13 | H1 | 179.4° | 179.9° |
| C30 | C31 | C32 | H25 | 180.0° | 179.9° |
| C31 | C30 | C29 | H24 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C29 | C28 | 179.8° | 180.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.3° |
| C30 | C31 | C32 | H26 | 179.9° | 180.0° |
| C32 | C31 | C30 | C29 | 0.4° | 0.0° |
| C31 | C32 | C33 | H26 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.8° | 0.2° |
| C32 | C31 | C30 | H24 | 179.6° | 180.0° |
| C31 | C32 | C33 | H27 | 179.2° | 180.0° |
| C30 | C29 | C28 | C34 | 179.9° | 179.7° |
| C30 | C29 | C28 | N27 | 57.5° | 89.8° |
| C30 | C29 | C34 | C33 | 0.5° | 0.5° |
| C30 | C29 | C28 | H5 | 63.8° | 150.3° |
| C30 | C29 | C28 | H6 | 178.8° | 30.2° |
| C29 | C30 | C31 | H25 | 179.6° | 179.9° |
| C30 | C29 | C34 | H28 | 179.5° | 179.7° |
| C32 | C33 | C34 | C29 | 1.1° | 0.5° |
| C32 | C33 | C34 | H27 | 180.0° | 179.8° |
| C33 | C32 | C31 | H25 | 179.9° | 180.0° |
| C32 | C33 | C34 | H28 | 179.0° | 179.7° |
| O16 | C15 | C14 | C13 | 179.5° | 179.5° |
| C15 | O16 | C17 | H2 | 157.3° | 169.0° |
| C15 | O16 | C17 | H3 | 84.2° | 70.5° |
| O16 | C15 | C14 | H18 | 0.5° | 0.5° |
| C15 | C14 | C13 | C12 | 1.1° | 0.3° |
| C15 | C14 | C13 | H18 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 178.9° | 180.0° |
| C10 | C06 | O05 | H16 | 117.6° | 120.1° |
| C06 | C10 | C11 | C12 | 3.1° | 0.3° |
| C06 | C10 | C11 | C41 | 179.0° | 179.6° |
| C06 | C10 | C11 | N22 | 179.8° | 179.7° |
| C06 | C10 | C41 | C40 | 0.8° | 0.4° |
| C06 | C10 | C41 | C36 | 179.3° | 179.7° |
| C10 | C06 | O05 | C02 | 90.7° | 136.9° |
| O05 | C06 | C10 | C11 | 126.1° | 127.8° |
| O05 | C06 | C10 | C41 | 52.8° | 51.8° |
| C06 | O05 | C02 | C01 | 29.3° | 54.4° |
| C06 | O05 | C02 | C04 | 148.3° | 174.5° |
| C06 | O05 | C02 | C03 | 95.5° | 65.6° |
| C12 | C11 | C10 | N22 | 177.1° | 180.0° |
| C12 | C11 | C10 | C41 | 178.0° | 179.9° |
| C12 | C11 | N22 | C23 | 178.7° | 180.0° |
| C11 | C12 | C13 | C14 | 178.9° | 179.6° |
| C11 | C12 | C13 | H1 | 1.1° | 0.2° |
| C11 | C12 | C21 | H4 | 0.1° | 0.3° |
| C13 | C12 | C11 | C10 | 109.4° | 45.7° |
| C13 | C12 | C11 | N22 | 73.2° | 134.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C13 | C12 | C21 | H4 | 179.6° | 179.8° |
| C12 | C13 | C14 | H18 | 178.9° | 179.8° |
| C29 | C28 | N27 | C35 | 30.4° | 125.3° |
| C29 | C28 | N27 | H5 | 121.3° | 120.0° |
| C29 | C28 | N27 | H6 | 121.3° | 120.0° |
| C28 | C29 | C34 | C33 | 179.6° | 179.7° |
| C29 | C28 | N27 | N26 | 151.2° | 54.9° |
| C29 | C28 | H5 | H6 | 115.9° | 120.0° |
| C28 | C29 | C30 | H24 | 0.2° | 0.0° |
| C28 | C29 | C34 | H28 | 0.4° | 0.1° |
| C34 | C29 | C28 | N27 | 122.6° | 90.0° |
| C29 | C34 | C33 | H28 | 180.0° | 179.8° |
| C34 | C29 | C28 | H5 | 116.1° | 30.0° |
| C34 | C29 | C28 | H6 | 1.3° | 150.0° |
| C34 | C29 | C30 | H24 | 179.9° | 179.8° |
| C29 | C34 | C33 | H27 | 179.0° | 179.7° |
| C11 | C10 | C41 | C40 | 179.7° | 180.0° |
| C11 | C10 | C41 | C36 | 0.4° | 0.1° |
| C10 | C11 | N22 | C23 | 1.3° | 0.1° |
| C11 | C10 | C06 | H16 | 7.5° | 7.7° |
| C41 | C10 | C11 | N22 | 0.9° | 0.1° |
| C10 | C41 | C40 | C36 | 179.8° | 179.9° |
| C10 | C41 | C40 | C39 | 179.8° | 180.0° |
| C10 | C41 | C36 | C23 | 0.4° | 0.1° |
| C10 | C41 | C36 | C37 | 179.6° | 180.0° |
| C41 | C10 | C06 | H16 | 171.4° | 171.9° |
| C10 | C41 | C40 | H33 | 0.2° | 0.0° |
| C11 | N22 | C23 | C36 | 1.2° | 0.0° |
| C11 | N22 | C23 | C24 | 179.6° | 180.0° |
| C41 | C40 | C39 | H33 | 180.0° | 179.9° |
| C41 | C40 | C39 | C38 | 0.1° | 0.1° |
| C40 | C41 | C36 | C23 | 179.8° | 179.9° |
| C40 | C41 | C36 | C37 | 0.5° | 0.1° |
| C41 | C40 | C39 | H32 | 179.9° | 179.9° |
| C39 | C40 | C41 | C36 | 0.4° | 0.1° |
| C40 | C39 | C38 | H32 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 0.1° | 0.0° |
| C40 | C39 | C38 | H31 | 179.9° | 180.0° |
| C41 | C36 | C23 | N22 | 0.8° | 0.0° |
| C41 | C36 | C23 | C37 | 179.2° | 179.9° |
| C41 | C36 | C23 | C24 | 179.8° | 180.0° |
| C41 | C36 | C37 | C38 | 0.4° | 0.0° |
| C41 | C36 | C37 | H30 | 179.6° | 180.0° |
| C36 | C41 | C40 | H33 | 179.6° | 179.9° |
| N27 | C35 | C24 | H29 | 180.0° | 179.9° |
| C35 | N27 | C28 | N26 | 178.4° | 179.8° |
| N27 | C35 | C24 | C23 | 177.6° | 179.9° |
| N27 | C35 | C24 | C25 | 1.8° | 0.4° |
| C35 | N27 | N26 | C25 | 0.2° | 0.3° |
| C35 | N27 | C28 | H5 | 90.9° | 114.7° |
| C35 | N27 | C28 | H6 | 151.6° | 5.3° |
| C24 | C35 | N27 | C28 | 177.6° | 179.8° |
| C35 | C24 | C23 | N22 | 26.7° | 35.3° |
| C35 | C24 | C23 | C36 | 152.4° | 144.7° |
| C35 | C24 | C23 | C25 | 174.5° | 179.7° |
| C24 | C35 | N27 | N26 | 1.1° | 0.4° |
| C35 | C24 | C25 | N26 | 1.9° | 0.2° |
| C35 | C24 | C25 | H23 | 178.0° | 179.8° |
| C28 | N27 | N26 | C25 | 178.8° | 179.9° |
| N27 | C28 | H5 | H6 | 116.0° | 120.0° |
| C28 | N27 | C35 | H29 | 2.4° | 0.1° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C39 | C38 | C37 | H31 | 180.0° | 180.0° |
| C39 | C38 | C37 | H30 | 179.9° | 180.0° |
| C38 | C39 | C40 | H33 | 179.9° | 180.0° |
| N22 | C23 | C36 | C24 | 179.0° | 180.0° |
| N22 | C23 | C36 | C37 | 180.0° | 180.0° |
| N22 | C23 | C24 | C25 | 147.8° | 145.0° |
| C23 | C36 | C37 | C38 | 179.6° | 180.0° |
| C36 | C23 | C24 | C25 | 33.1° | 35.0° |
| C23 | C36 | C37 | H30 | 0.5° | 0.1° |
| C37 | C36 | C23 | C24 | 1.0° | 0.1° |
| C36 | C37 | C38 | H30 | 180.0° | 180.0° |
| C36 | C37 | C38 | H31 | 179.9° | 180.0° |
| C34 | C33 | C32 | H26 | 179.2° | 179.8° |
| C23 | C24 | C25 | N26 | 177.1° | 180.0° |
| C23 | C24 | C25 | H23 | 2.9° | 0.0° |
| C23 | C24 | C35 | H29 | 2.4° | 0.0° |
| C37 | C38 | C39 | H32 | 179.9° | 180.0° |
| N27 | N26 | C25 | C24 | 1.3° | 0.0° |
| N26 | N27 | C28 | H5 | 87.5° | 65.0° |
| N26 | N27 | C28 | H6 | 30.0° | 174.9° |
| N27 | N26 | C25 | H23 | 178.7° | 180.0° |
| N26 | N27 | C35 | H29 | 179.0° | 179.7° |
| O05 | C02 | C01 | C04 | 118.3° | 120.0° |
| O05 | C02 | C01 | C03 | 124.7° | 120.0° |
| O05 | C02 | C04 | C03 | 118.2° | 120.0° |
| O05 | C02 | C01 | H7 | 180.0° | 180.0° |
| O05 | C02 | C01 | H8 | 60.0° | 59.9° |
| O05 | C02 | C01 | H9 | 60.0° | 60.0° |
| O05 | C02 | C03 | H10 | 180.0° | 179.9° |
| O05 | C02 | C03 | H11 | 60.0° | 60.0° |
| O05 | C02 | C03 | H12 | 60.0° | 60.0° |
| O05 | C02 | C04 | H13 | 180.0° | 55.2° |
| O05 | C02 | C04 | H14 | 60.0° | 64.8° |
| O05 | C02 | C04 | H15 | 60.0° | 175.2° |
| C02 | O05 | C06 | H16 | 27.0° | 16.8° |
| C24 | C25 | N26 | H23 | 180.0° | 180.0° |
| C25 | C24 | C35 | H29 | 178.2° | 179.7° |
| C01 | C02 | C04 | C03 | 119.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 119.9° |
| C01 | C02 | C03 | H10 | 53.2° | 60.0° |
| C01 | C02 | C03 | H11 | 173.2° | 179.9° |
| C01 | C02 | C03 | H12 | 66.8° | 60.1° |
| C01 | C02 | C04 | H13 | 57.2° | 64.8° |
| C01 | C02 | C04 | H14 | 62.8° | 175.1° |
| C01 | C02 | C04 | H15 | 177.2° | 55.1° |
| C04 | C02 | C01 | H7 | 61.8° | 60.0° |
| C04 | C02 | C01 | H8 | 178.2° | 179.9° |
| C04 | C02 | C01 | H9 | 58.3° | 60.1° |
| C04 | C02 | C03 | H10 | 64.2° | 60.0° |
| C04 | C02 | C03 | H11 | 55.8° | 59.9° |
| C04 | C02 | C03 | H12 | 175.8° | 179.9° |
| C02 | C04 | H13 | H14 | 120.0° | 120.0° |
| C02 | C04 | H13 | H15 | 120.0° | 119.9° |
| C02 | C04 | H14 | H15 | 120.0° | 119.9° |
| C03 | C02 | C01 | H7 | 55.3° | 60.0° |
| C03 | C02 | C01 | H8 | 64.8° | 60.1° |
| C03 | C02 | C01 | H9 | 175.3° | 180.0° |
| C02 | C03 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | H10 | H12 | 120.0° | 120.1° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C03 | C02 | C04 | H13 | 61.9° | 175.2° |
| C03 | C02 | C04 | H14 | 178.1° | 55.2° |
| C03 | C02 | C04 | H15 | 58.2° | 64.8° |
| H1 | C13 | C14 | H18 | 1.1° | 0.0° |
| H2 | C17 | C18 | H19 | 47.9° | 64.7° |
| H2 | C17 | C18 | H20 | 72.0° | 55.8° |
| H3 | C17 | C18 | H19 | 166.5° | 174.9° |
| H3 | C17 | C18 | H20 | 46.5° | 64.6° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | H11 | H12 | 120.0° | 120.0° |
| H13 | C04 | H14 | H15 | 120.0° | 120.1° |
| H19 | C18 | C19 | H21 | 154.6° | 168.9° |
| H19 | C18 | C19 | H22 | 36.6° | 49.0° |
| H20 | C18 | C19 | H21 | 34.7° | 48.2° |
| H20 | C18 | C19 | H22 | 83.3° | 71.7° |
| H24 | C30 | C31 | H25 | 0.4° | 0.0° |
| H25 | C31 | C32 | H26 | 0.1° | 0.0° |
| H26 | C32 | C33 | H27 | 0.8° | 0.0° |
| H27 | C33 | C34 | H28 | 1.0° | 0.1° |
| H30 | C37 | C38 | H31 | 0.1° | 0.1° |
| H31 | C38 | C39 | H32 | 0.1° | 0.0° |
| H32 | C39 | C40 | H33 | 0.1° | 0.0° |
