PZ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O47 | C46 | sing | 1.43Å | 1.39Å | |
| C46 | C44 | sing | 1.55Å | 1.50Å | |
| C46 | C29 | sing | 1.54Å | 1.56Å | |
| O45 | C44 | sing | 1.43Å | 1.52Å | |
| C44 | C31 | sing | 1.54Å | 1.31Å | |
| O23 | P22 | doub | 1.48Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.57Å | |
| C28 | O27 | sing | 1.43Å | 1.39Å | |
| C29 | O30 | sing | 1.44Å | 1.26Å | |
| F10 | C08 | sing | 1.40Å | 1.38Å | |
| O26 | P25 | doub | 1.48Å | 1.50Å | |
| C31 | O30 | sing | 1.44Å | 1.60Å | |
| C31 | N32 | sing | 1.46Å | 1.47Å | |
| O24 | P22 | sing | 1.61Å | 1.64Å | |
| O24 | P25 | sing | 1.61Å | 1.65Å | |
| O27 | P25 | sing | 1.61Å | 1.64Å | |
| P22 | O49 | sing | 1.61Å | 1.51Å | |
| P22 | O21 | sing | 1.61Å | 1.69Å | |
| C43 | N32 | sing | 1.36Å | 1.37Å | Aromatic |
| C43 | N42 | doub | 1.30Å | 1.33Å | Aromatic |
| P25 | O48 | sing | 1.61Å | 1.52Å | |
| O12 | C05 | doub | 1.22Å | 1.20Å | |
| C08 | C07 | sing | 1.53Å | 1.61Å | |
| C08 | F09 | sing | 1.40Å | 1.38Å | |
| C08 | F11 | sing | 1.40Å | 1.37Å | |
| C07 | N06 | sing | 1.47Å | 1.49Å | |
| N32 | C33 | sing | 1.37Å | 1.36Å | Aromatic |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| N42 | C41 | sing | 1.35Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.35Å | 1.49Å | |
| C05 | N03 | sing | 1.35Å | 1.48Å | |
| C33 | C41 | doub | 1.40Å | 1.41Å | Aromatic |
| C33 | N34 | sing | 1.34Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.46Å | 1.45Å | Aromatic |
| C50 | C19 | sing | 1.54Å | 1.60Å | |
| C50 | O51 | sing | 1.43Å | 1.35Å | |
| C50 | C52 | sing | 1.55Å | 1.55Å | |
| C19 | O18 | sing | 1.44Å | 1.30Å | |
| N34 | C35 | doub | 1.30Å | 1.35Å | Aromatic |
| C02 | N03 | sing | 1.47Å | 1.47Å | |
| C02 | C13 | sing | 1.51Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.54Å | |
| C14 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C52 | C17 | sing | 1.55Å | 1.35Å | |
| C52 | O53 | sing | 1.43Å | 1.48Å | |
| C13 | C55 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | N16 | doub | 1.32Å | 1.34Å | Aromatic |
| C40 | N39 | doub | 1.32Å | 1.38Å | Aromatic |
| C40 | N36 | sing | 1.38Å | 1.34Å | Aromatic |
| C55 | C54 | doub | 1.38Å | 1.43Å | Aromatic |
| O18 | C17 | sing | 1.44Å | 1.65Å | |
| N16 | C54 | sing | 1.32Å | 1.32Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.44Å | |
| C35 | N36 | sing | 1.36Å | 1.39Å | Aromatic |
| N39 | C38 | sing | 1.34Å | 1.35Å | Aromatic |
| N36 | C37 | sing | 1.37Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.35Å | 1.42Å | Aromatic |
| C35 | H1 | sing | 1.08Å | 1.08Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.08Å | 1.08Å | |
| C43 | H23 | sing | 1.08Å | 1.08Å | |
| C44 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C50 | H26 | sing | 1.09Å | 1.10Å | |
| C52 | H27 | sing | 1.09Å | 1.10Å | |
| C54 | H28 | sing | 1.08Å | 1.08Å | |
| C55 | H29 | sing | 1.08Å | 1.08Å | |
| N06 | H30 | sing | 0.97Å | 1.00Å | |
| O45 | H31 | sing | 0.97Å | 0.95Å | |
| O47 | H32 | sing | 0.97Å | 0.95Å | |
| O48 | H33 | sing | 0.97Å | 0.95Å | |
| O49 | H34 | sing | 0.97Å | 0.95Å | |
| O51 | H35 | sing | 0.97Å | 0.95Å | |
| O53 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O47 | C46 | C44 | 110.5° | 110.5° |
| O47 | C46 | C29 | 111.6° | 110.5° |
| O47 | C46 | H25 | 112.0° | 110.6° |
| C46 | O47 | H32 | 109.5° | 114.0° |
| C44 | C46 | C29 | 102.5° | 104.0° |
| C46 | C44 | O45 | 109.6° | 110.6° |
| C46 | C44 | C31 | 105.3° | 104.1° |
| C46 | C44 | H24 | 110.4° | 110.5° |
| C44 | C46 | H25 | 110.4° | 110.5° |
| C46 | C29 | C28 | 113.2° | 110.5° |
| C46 | C29 | O30 | 103.4° | 104.8° |
| C46 | C29 | H3 | 109.0° | 110.4° |
| C29 | C46 | H25 | 109.6° | 110.5° |
| O45 | C44 | C31 | 107.7° | 110.5° |
| O45 | C44 | H24 | 110.1° | 110.4° |
| C44 | O45 | H31 | 109.5° | 114.0° |
| C44 | C31 | O30 | 107.4° | 104.8° |
| C44 | C31 | N32 | 113.6° | 110.3° |
| C44 | C31 | H2 | 111.8° | 110.5° |
| C31 | C44 | H24 | 113.6° | 110.6° |
| O23 | P22 | O24 | 106.7° | 109.5° |
| O23 | P22 | O49 | 111.7° | 109.5° |
| O23 | P22 | O21 | 110.2° | 109.4° |
| C29 | C28 | O27 | 106.7° | 109.5° |
| C28 | C29 | O30 | 108.7° | 110.3° |
| C28 | C29 | H3 | 108.9° | 110.3° |
| C29 | C28 | H4 | 110.2° | 109.4° |
| C29 | C28 | H5 | 110.1° | 109.5° |
| C28 | O27 | P25 | 121.1° | 123.0° |
| O27 | C28 | H4 | 110.2° | 109.4° |
| O27 | C28 | H5 | 110.2° | 109.5° |
| C29 | O30 | C31 | 107.4° | 105.3° |
| O30 | C29 | H3 | 113.7° | 110.3° |
| F10 | C08 | C07 | 109.5° | 109.4° |
| F10 | C08 | F09 | 108.7° | 109.5° |
| F10 | C08 | F11 | 109.8° | 109.5° |
| O26 | P25 | O24 | 110.8° | 109.4° |
| O26 | P25 | O27 | 111.9° | 109.5° |
| O26 | P25 | O48 | 108.8° | 109.5° |
| O30 | C31 | N32 | 106.6° | 110.4° |
| O30 | C31 | H2 | 107.6° | 110.3° |
| C31 | N32 | C43 | 125.8° | 126.3° |
| C31 | N32 | C33 | 125.1° | 126.3° |
| N32 | C31 | H2 | 109.4° | 110.3° |
| P22 | O24 | P25 | 127.9° | 134.0° |
| O24 | P22 | O49 | 113.8° | 109.5° |
| O24 | P22 | O21 | 108.0° | 109.4° |
| O24 | P25 | O27 | 105.3° | 109.5° |
| O24 | P25 | O48 | 112.2° | 109.4° |
| O27 | P25 | O48 | 107.8° | 109.5° |
| O49 | P22 | O21 | 106.4° | 109.4° |
| P22 | O49 | H34 | 109.5° | 114.0° |
| P22 | O21 | C20 | 119.7° | 123.0° |
| N32 | C43 | N42 | 108.9° | 109.7° |
| C43 | N32 | C33 | 109.1° | 107.4° |
| N32 | C43 | H23 | 125.5° | 125.1° |
| C43 | N42 | C41 | 108.5° | 109.5° |
| N42 | C43 | H23 | 125.6° | 125.2° |
| P25 | O48 | H33 | 109.5° | 114.0° |
| O12 | C05 | N06 | 121.3° | 120.0° |
| O12 | C05 | N03 | 120.5° | 120.0° |
| C07 | C08 | F09 | 112.1° | 109.5° |
| C07 | C08 | F11 | 113.8° | 109.4° |
| C08 | C07 | N06 | 108.5° | 109.5° |
| C08 | C07 | H18 | 109.7° | 109.5° |
| C08 | C07 | H19 | 109.7° | 109.5° |
| F09 | C08 | F11 | 102.7° | 109.5° |
| C07 | N06 | C05 | 120.4° | 120.0° |
| N06 | C07 | H18 | 109.7° | 109.5° |
| N06 | C07 | H19 | 109.7° | 109.5° |
| C07 | N06 | H30 | 119.8° | 120.0° |
| N32 | C33 | C41 | 106.3° | 106.0° |
| N32 | C33 | N34 | 133.3° | 134.2° |
| O21 | C20 | C19 | 104.0° | 109.5° |
| O21 | C20 | H6 | 110.8° | 109.5° |
| O21 | C20 | H7 | 110.8° | 109.5° |
| C20 | C19 | C50 | 108.8° | 109.9° |
| C20 | C19 | O18 | 110.1° | 109.8° |
| C19 | C20 | H6 | 110.8° | 109.5° |
| C19 | C20 | H7 | 110.8° | 109.4° |
| C20 | C19 | H8 | 108.7° | 109.8° |
| N42 | C41 | C33 | 107.2° | 107.4° |
| N42 | C41 | C40 | 134.3° | 134.8° |
| N06 | C05 | N03 | 118.2° | 120.0° |
| C05 | N06 | H30 | 119.8° | 120.0° |
| C05 | N03 | C02 | 119.4° | 120.0° |
| C05 | N03 | C04 | 119.1° | 120.0° |
| C41 | C33 | N34 | 120.4° | 119.8° |
| C33 | C41 | C40 | 118.5° | 117.8° |
| C33 | N34 | C35 | 119.3° | 122.4° |
| C41 | C40 | N39 | 131.6° | 134.1° |
| C41 | C40 | N36 | 118.4° | 117.6° |
| C19 | C50 | O51 | 110.8° | 110.5° |
| C19 | C50 | C52 | 102.8° | 104.1° |
| C50 | C19 | O18 | 108.2° | 107.3° |
| C50 | C19 | H8 | 108.2° | 110.1° |
| C19 | C50 | H26 | 107.8° | 110.5° |
| O51 | C50 | C52 | 115.3° | 110.5° |
| O51 | C50 | H26 | 111.2° | 110.5° |
| C50 | O51 | H35 | 109.5° | 114.0° |
| C50 | C52 | C17 | 109.0° | 102.1° |
| C50 | C52 | O53 | 111.6° | 110.9° |
| C52 | C50 | H26 | 108.4° | 110.6° |
| C50 | C52 | H27 | 107.4° | 110.9° |
| C19 | O18 | C17 | 108.0° | 106.9° |
| O18 | C19 | H8 | 112.6° | 109.9° |
| N34 | C35 | N36 | 122.1° | 122.5° |
| N34 | C35 | H1 | 118.9° | 118.7° |
| N03 | C02 | C13 | 110.3° | 109.4° |
| N03 | C02 | C01 | 108.9° | 109.5° |
| C02 | N03 | C04 | 121.5° | 120.0° |
| N03 | C02 | H14 | 110.1° | 109.4° |
| C13 | C02 | C01 | 109.3° | 109.5° |
| C02 | C13 | C14 | 120.9° | 120.8° |
| C02 | C13 | C55 | 122.1° | 120.8° |
| C13 | C02 | H14 | 109.0° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 109.3° | 109.5° |
| N03 | C04 | H15 | 109.5° | 109.5° |
| N03 | C04 | H16 | 109.5° | 109.5° |
| N03 | C04 | H17 | 109.4° | 109.5° |
| C13 | C14 | C15 | 119.8° | 119.2° |
| C14 | C13 | C55 | 117.1° | 118.4° |
| C13 | C14 | H20 | 120.1° | 120.4° |
| C14 | C15 | N16 | 121.4° | 120.8° |
| C14 | C15 | H10 | 119.3° | 119.6° |
| C15 | C14 | H20 | 120.1° | 120.5° |
| C17 | C52 | O53 | 110.3° | 110.9° |
| C52 | C17 | O18 | 107.3° | 103.5° |
| C52 | C17 | N16 | 114.0° | 110.6° |
| C52 | C17 | H9 | 110.6° | 110.6° |
| C17 | C52 | H27 | 110.1° | 111.0° |
| O53 | C52 | H27 | 108.3° | 110.8° |
| C52 | O53 | H36 | 109.5° | 114.0° |
| C13 | C55 | C54 | 120.2° | 119.1° |
| C13 | C55 | H29 | 119.9° | 120.4° |
| C15 | N16 | C54 | 120.7° | 121.7° |
| C15 | N16 | C17 | 119.2° | 119.2° |
| N16 | C15 | H10 | 119.3° | 119.6° |
| N39 | C40 | N36 | 109.9° | 108.3° |
| C40 | N39 | C38 | 108.2° | 109.2° |
| C40 | N36 | C35 | 121.2° | 119.8° |
| C40 | N36 | C37 | 107.7° | 106.7° |
| C55 | C54 | N16 | 120.8° | 120.7° |
| C55 | C54 | H28 | 119.6° | 119.7° |
| C54 | C55 | H29 | 119.9° | 120.4° |
| O18 | C17 | N16 | 108.5° | 110.8° |
| O18 | C17 | H9 | 106.8° | 110.6° |
| C54 | N16 | C17 | 120.1° | 119.1° |
| N16 | C54 | H28 | 119.6° | 119.6° |
| N16 | C17 | H9 | 109.3° | 110.6° |
| C35 | N36 | C37 | 131.1° | 133.5° |
| N36 | C35 | H1 | 119.0° | 118.7° |
| N39 | C38 | C37 | 107.0° | 108.6° |
| N39 | C38 | H22 | 126.5° | 125.7° |
| N36 | C37 | C38 | 107.2° | 107.2° |
| N36 | C37 | H21 | 126.4° | 126.4° |
| C38 | C37 | H21 | 126.4° | 126.4° |
| C37 | C38 | H22 | 126.5° | 125.7° |
| H4 | C28 | H5 | 109.5° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.4° |
| H15 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H17 | 109.5° | 109.4° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O47 | C46 | C44 | C29 | 119.0° | 118.6° |
| O47 | C46 | C44 | H25 | 124.4° | 122.7° |
| O47 | C46 | C29 | H25 | 124.5° | 122.7° |
| O47 | C46 | C44 | O45 | 35.2° | 0.1° |
| O47 | C46 | C44 | C31 | 150.8° | 118.6° |
| O47 | C46 | C29 | C28 | 86.5° | 98.5° |
| O47 | C46 | C29 | O30 | 156.1° | 142.6° |
| O47 | C46 | C29 | H3 | 34.9° | 23.8° |
| O47 | C46 | C44 | H24 | 86.2° | 122.7° |
| C44 | C46 | C29 | H25 | 117.2° | 118.7° |
| C46 | C44 | O45 | C31 | 114.0° | 114.7° |
| C46 | C44 | O45 | H24 | 121.6° | 122.6° |
| C46 | C44 | C31 | H24 | 120.9° | 118.6° |
| C44 | C46 | C29 | C28 | 155.3° | 142.8° |
| C44 | C46 | C29 | O30 | 37.9° | 24.0° |
| C46 | C44 | C31 | O30 | 16.0° | 24.0° |
| C46 | C44 | C31 | N32 | 101.6° | 142.8° |
| C46 | C44 | C31 | H2 | 133.9° | 94.9° |
| C44 | C46 | C29 | H3 | 83.4° | 94.8° |
| C46 | C44 | O45 | H31 | 180.0° | 65.3° |
| C44 | C46 | O47 | H32 | 180.0° | 61.4° |
| C29 | C46 | C44 | O45 | 83.8° | 118.7° |
| C29 | C46 | C44 | C31 | 31.8° | 0.0° |
| C46 | C29 | C28 | O30 | 114.3° | 115.5° |
| C46 | C29 | C28 | H3 | 121.4° | 122.4° |
| C46 | C29 | C28 | O27 | 149.6° | 178.1° |
| C46 | C29 | O30 | H3 | 118.0° | 118.9° |
| C46 | C29 | O30 | C31 | 28.1° | 40.5° |
| C46 | C29 | C28 | H4 | 90.9° | 58.1° |
| C46 | C29 | C28 | H5 | 30.0° | 61.8° |
| C29 | C46 | C44 | H24 | 154.8° | 118.7° |
| C29 | C46 | O47 | H32 | 66.7° | 176.1° |
| O45 | C44 | C31 | H24 | 122.2° | 122.6° |
| O45 | C44 | C31 | O30 | 100.9° | 142.7° |
| O45 | C44 | C31 | N32 | 141.5° | 98.4° |
| O45 | C44 | C31 | H2 | 17.0° | 23.9° |
| O45 | C44 | C46 | H25 | 159.6° | 122.6° |
| C44 | C31 | O30 | C29 | 9.0° | 40.5° |
| C44 | C31 | O30 | N32 | 122.1° | 118.8° |
| C44 | C31 | O30 | H2 | 120.6° | 119.0° |
| C44 | C31 | N32 | H2 | 125.7° | 122.4° |
| C44 | C31 | N32 | C43 | 55.4° | 91.8° |
| C44 | C31 | N32 | C33 | 126.9° | 88.2° |
| C31 | C44 | C46 | H25 | 84.8° | 118.7° |
| C31 | C44 | O45 | H31 | 66.0° | 180.0° |
| O23 | P22 | O24 | O49 | 123.7° | 120.1° |
| O23 | P22 | O24 | O21 | 118.4° | 120.0° |
| O23 | P22 | O24 | P25 | 133.2° | 40.0° |
| O23 | P22 | O49 | O21 | 120.3° | 120.0° |
| O23 | P22 | O21 | C20 | 48.6° | 55.0° |
| O23 | P22 | O49 | H34 | 0.0° | 180.0° |
| C29 | C28 | O27 | H4 | 119.5° | 120.0° |
| C29 | C28 | O27 | H5 | 119.5° | 120.1° |
| C28 | C29 | O30 | H3 | 121.4° | 122.2° |
| C28 | C29 | O30 | C31 | 148.6° | 159.4° |
| C29 | C28 | O27 | P25 | 179.5° | 180.0° |
| C29 | C28 | H4 | H5 | 121.3° | 120.0° |
| C28 | C29 | C46 | H25 | 38.1° | 24.2° |
| O27 | C28 | C29 | O30 | 35.3° | 66.5° |
| C28 | O27 | P25 | O26 | 33.6° | 55.1° |
| C28 | O27 | P25 | O24 | 86.9° | 175.1° |
| C28 | O27 | P25 | O48 | 153.1° | 64.9° |
| O27 | C28 | C29 | H3 | 89.0° | 55.7° |
| O27 | C28 | H4 | H5 | 121.3° | 120.0° |
| C29 | O30 | C31 | N32 | 131.1° | 159.3° |
| C29 | O30 | C31 | H2 | 111.6° | 78.5° |
| O30 | C29 | C28 | H4 | 154.9° | 173.6° |
| O30 | C29 | C28 | H5 | 84.2° | 53.7° |
| O30 | C29 | C46 | H25 | 79.3° | 94.7° |
| F10 | C08 | C07 | F09 | 120.7° | 120.0° |
| F10 | C08 | C07 | F11 | 123.3° | 120.0° |
| F10 | C08 | F09 | F11 | 116.3° | 120.0° |
| F10 | C08 | C07 | N06 | 168.3° | 180.0° |
| F10 | C08 | C07 | H18 | 48.4° | 60.0° |
| F10 | C08 | C07 | H19 | 71.9° | 60.0° |
| O26 | P25 | O24 | P22 | 64.5° | 45.0° |
| O26 | P25 | O24 | O27 | 121.2° | 120.0° |
| O26 | P25 | O24 | O48 | 121.8° | 119.9° |
| O26 | P25 | O27 | O48 | 119.5° | 120.0° |
| O26 | P25 | O48 | H33 | 0.0° | 180.0° |
| O30 | C31 | N32 | H2 | 116.2° | 122.2° |
| O30 | C31 | N32 | C43 | 62.7° | 23.6° |
| O30 | C31 | N32 | C33 | 115.0° | 156.4° |
| C31 | O30 | C29 | H3 | 90.0° | 78.4° |
| O30 | C31 | C44 | H24 | 136.9° | 94.7° |
| C31 | N32 | C43 | C33 | 178.0° | 180.0° |
| C31 | N32 | C43 | N42 | 178.8° | 179.8° |
| C31 | N32 | C33 | C41 | 178.6° | 180.0° |
| C31 | N32 | C33 | N34 | 2.0° | 0.3° |
| C31 | N32 | C43 | H23 | 1.3° | 0.0° |
| N32 | C31 | C44 | H24 | 19.3° | 24.2° |
| P22 | O24 | P25 | O27 | 174.3° | 165.0° |
| O24 | P22 | O49 | O21 | 118.8° | 120.0° |
| P22 | O24 | P25 | O48 | 57.4° | 75.0° |
| O24 | P22 | O21 | C20 | 67.6° | 175.0° |
| O24 | P22 | O49 | H34 | 120.9° | 60.0° |
| O24 | P25 | O27 | O48 | 120.0° | 120.0° |
| P25 | O24 | P22 | O49 | 9.5° | 80.1° |
| P25 | O24 | P22 | O21 | 108.4° | 160.0° |
| O24 | P25 | O48 | H33 | 123.0° | 60.0° |
| P25 | O27 | C28 | H4 | 60.9° | 60.0° |
| P25 | O27 | C28 | H5 | 60.0° | 59.9° |
| O27 | P25 | O48 | H33 | 121.5° | 60.0° |
| O49 | P22 | O21 | C20 | 169.8° | 65.0° |
| P22 | O21 | C20 | C19 | 178.3° | 180.0° |
| P22 | O21 | C20 | H6 | 62.6° | 60.0° |
| P22 | O21 | C20 | H7 | 59.2° | 60.0° |
| O21 | P22 | O49 | H34 | 120.3° | 60.0° |
| N32 | C43 | N42 | H23 | 180.0° | 179.7° |
| N32 | C43 | N42 | C41 | 0.6° | 0.4° |
| C43 | N32 | C33 | C41 | 0.6° | 0.1° |
| C43 | N32 | C33 | N34 | 179.9° | 179.7° |
| C43 | N32 | C31 | H2 | 178.9° | 145.8° |
| N42 | C43 | N32 | C33 | 0.7° | 0.2° |
| C43 | N42 | C41 | C33 | 0.2° | 0.4° |
| C43 | N42 | C41 | C40 | 180.0° | 180.0° |
| O12 | C05 | N06 | C07 | 1.5° | 0.0° |
| O12 | C05 | N06 | N03 | 179.8° | 180.0° |
| O12 | C05 | N03 | C02 | 0.3° | 0.0° |
| O12 | C05 | N03 | C04 | 179.8° | 180.0° |
| O12 | C05 | N06 | H30 | 178.4° | 180.0° |
| C07 | C08 | F09 | F11 | 122.5° | 120.0° |
| C08 | C07 | N06 | H18 | 119.9° | 120.0° |
| C08 | C07 | N06 | H19 | 119.8° | 120.0° |
| C08 | C07 | N06 | C05 | 84.0° | 180.0° |
| C08 | C07 | H18 | H19 | 120.4° | 120.0° |
| C08 | C07 | N06 | H30 | 96.0° | 0.0° |
| F09 | C08 | C07 | N06 | 47.5° | 60.0° |
| F09 | C08 | C07 | H18 | 72.4° | 180.0° |
| F09 | C08 | C07 | H19 | 167.4° | 60.0° |
| F11 | C08 | C07 | N06 | 68.4° | 60.0° |
| F11 | C08 | C07 | H18 | 171.7° | 60.0° |
| F11 | C08 | C07 | H19 | 51.4° | 180.0° |
| C07 | N06 | C05 | H30 | 180.0° | 179.9° |
| C07 | N06 | C05 | N03 | 178.2° | 180.0° |
| N06 | C07 | H18 | H19 | 120.5° | 120.0° |
| N32 | C33 | C41 | N42 | 0.2° | 0.3° |
| N32 | C33 | C41 | N34 | 179.5° | 179.7° |
| N32 | C33 | C41 | C40 | 179.6° | 180.0° |
| N32 | C33 | N34 | C35 | 179.9° | 179.7° |
| C33 | N32 | C31 | H2 | 1.1° | 34.2° |
| C33 | N32 | C43 | H23 | 179.3° | 179.9° |
| O21 | C20 | C19 | H6 | 119.1° | 120.0° |
| O21 | C20 | C19 | H7 | 119.2° | 120.0° |
| O21 | C20 | C19 | C50 | 178.3° | 175.7° |
| O21 | C20 | C19 | O18 | 63.2° | 66.4° |
| O21 | C20 | H6 | H7 | 122.5° | 120.0° |
| O21 | C20 | C19 | H8 | 60.6° | 54.5° |
| C20 | C19 | C50 | O18 | 119.7° | 119.4° |
| C20 | C19 | C50 | H8 | 118.0° | 121.1° |
| C20 | C19 | C50 | O51 | 138.8° | 119.9° |
| C20 | C19 | C50 | C52 | 97.5° | 121.4° |
| C20 | C19 | O18 | H8 | 121.6° | 120.9° |
| C20 | C19 | O18 | C17 | 99.9° | 146.0° |
| C19 | C20 | H6 | H7 | 122.5° | 120.0° |
| C20 | C19 | C50 | H26 | 16.9° | 2.7° |
| N42 | C41 | C33 | C40 | 179.8° | 179.7° |
| N42 | C41 | C33 | N34 | 179.7° | 180.0° |
| N42 | C41 | C40 | N39 | 0.1° | 0.6° |
| N42 | C41 | C40 | N36 | 179.8° | 179.9° |
| C41 | N42 | C43 | H23 | 179.5° | 179.9° |
| N06 | C05 | N03 | C02 | 179.9° | 180.0° |
| N06 | C05 | N03 | C04 | 0.0° | 0.0° |
| C05 | N06 | C07 | H18 | 35.8° | 60.0° |
| C05 | N06 | C07 | H19 | 156.1° | 60.0° |
| C05 | N03 | C02 | C04 | 179.9° | 180.0° |
| C05 | N03 | C02 | C13 | 85.3° | 114.9° |
| C05 | N03 | C02 | C01 | 154.7° | 125.1° |
| C05 | N03 | C02 | H14 | 35.0° | 5.1° |
| C05 | N03 | C04 | H15 | 180.0° | 84.7° |
| C05 | N03 | C04 | H16 | 60.0° | 35.3° |
| C05 | N03 | C04 | H17 | 60.0° | 155.4° |
| N03 | C05 | N06 | H30 | 1.8° | 0.0° |
| C41 | C33 | N34 | C35 | 0.6° | 0.1° |
| C33 | C41 | C40 | N39 | 179.7° | 179.8° |
| C33 | C41 | C40 | N36 | 0.4° | 0.5° |
| N34 | C33 | C41 | C40 | 0.2° | 0.3° |
| C33 | N34 | C35 | N36 | 0.5° | 0.0° |
| C33 | N34 | C35 | H1 | 179.5° | 179.8° |
| C41 | C40 | N39 | N36 | 179.9° | 179.3° |
| C41 | C40 | N36 | C35 | 0.5° | 0.5° |
| C41 | C40 | N39 | C38 | 179.8° | 179.3° |
| C41 | C40 | N36 | C37 | 179.8° | 179.5° |
| C19 | C50 | O51 | C52 | 116.2° | 114.7° |
| C19 | C50 | O51 | H26 | 119.9° | 122.6° |
| C19 | C50 | C52 | H26 | 114.0° | 118.7° |
| C50 | C19 | O18 | H8 | 119.6° | 119.6° |
| C19 | C50 | C52 | C17 | 16.1° | 20.9° |
| C19 | C50 | C52 | O53 | 138.1° | 139.1° |
| C50 | C19 | O18 | C17 | 18.9° | 26.6° |
| C50 | C19 | C20 | H6 | 62.6° | 55.7° |
| C50 | C19 | C20 | H7 | 59.1° | 64.3° |
| C19 | C50 | C52 | H27 | 103.3° | 97.4° |
| C19 | C50 | O51 | H35 | 180.0° | 180.0° |
| O51 | C50 | C52 | H26 | 125.4° | 122.6° |
| O51 | C50 | C19 | O18 | 101.5° | 120.7° |
| O51 | C50 | C52 | C17 | 104.6° | 97.7° |
| O51 | C50 | C52 | O53 | 17.5° | 20.4° |
| O51 | C50 | C19 | H8 | 20.8° | 1.2° |
| O51 | C50 | C52 | H27 | 136.1° | 144.0° |
| C52 | C50 | C19 | O18 | 22.2° | 2.1° |
| C50 | C52 | C17 | O53 | 122.9° | 118.2° |
| C50 | C52 | C17 | H27 | 117.6° | 118.3° |
| C50 | C52 | O53 | H27 | 118.1° | 123.6° |
| C50 | C52 | C17 | O18 | 5.9° | 37.1° |
| C50 | C52 | C17 | N16 | 126.2° | 155.7° |
| C52 | C50 | C19 | H8 | 144.5° | 117.5° |
| C50 | C52 | C17 | H9 | 110.2° | 81.4° |
| C52 | C50 | O51 | H35 | 63.8° | 65.3° |
| C50 | C52 | O53 | H36 | 180.0° | 61.4° |
| C19 | O18 | C17 | C52 | 8.9° | 40.1° |
| C19 | O18 | C17 | N16 | 114.7° | 158.6° |
| O18 | C19 | C20 | H6 | 55.9° | 173.6° |
| O18 | C19 | C20 | H7 | 177.6° | 53.6° |
| C19 | O18 | C17 | H9 | 127.6° | 78.4° |
| O18 | C19 | C50 | H26 | 136.5° | 116.7° |
| N34 | C35 | N36 | C40 | 0.1° | 0.3° |
| N34 | C35 | N36 | H1 | 180.0° | 179.7° |
| N34 | C35 | N36 | C37 | 179.6° | 179.7° |
| N03 | C02 | C13 | C01 | 119.7° | 120.0° |
| N03 | C02 | C13 | H14 | 121.0° | 120.0° |
| N03 | C02 | C01 | H14 | 120.2° | 120.0° |
| N03 | C02 | C13 | C14 | 176.7° | 150.0° |
| N03 | C02 | C13 | C55 | 3.4° | 30.2° |
| N03 | C02 | C01 | H11 | 180.0° | 60.0° |
| N03 | C02 | C01 | H12 | 60.0° | 180.0° |
| N03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C02 | N03 | C04 | H15 | 0.1° | 95.3° |
| C02 | N03 | C04 | H16 | 119.9° | 144.7° |
| C02 | N03 | C04 | H17 | 120.1° | 24.7° |
| C13 | C02 | C01 | H14 | 119.2° | 120.1° |
| C13 | C02 | N03 | C04 | 94.8° | 65.1° |
| C02 | C13 | C14 | C55 | 179.9° | 179.8° |
| C02 | C13 | C14 | C15 | 179.7° | 179.8° |
| C02 | C13 | C55 | C54 | 179.9° | 180.0° |
| C13 | C02 | C01 | H11 | 59.4° | 60.0° |
| C13 | C02 | C01 | H12 | 179.4° | 60.0° |
| C13 | C02 | C01 | H13 | 60.6° | 180.0° |
| C02 | C13 | C14 | H20 | 0.4° | 0.2° |
| C02 | C13 | C55 | H29 | 0.1° | 0.0° |
| C01 | C02 | N03 | C04 | 25.2° | 54.9° |
| C01 | C02 | C13 | C14 | 63.6° | 30.0° |
| C01 | C02 | C13 | C55 | 116.3° | 150.2° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C04 | N03 | C02 | H14 | 144.9° | 174.9° |
| N03 | C04 | H15 | H16 | 120.0° | 120.0° |
| N03 | C04 | H15 | H17 | 120.0° | 120.0° |
| N03 | C04 | H16 | H17 | 120.0° | 120.0° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 0.3° | 0.0° |
| C14 | C13 | C55 | C54 | 0.1° | 0.2° |
| C13 | C14 | C15 | H10 | 179.7° | 179.7° |
| C14 | C13 | C02 | H14 | 55.7° | 90.1° |
| C14 | C13 | C55 | H29 | 179.9° | 179.8° |
| C15 | C14 | C13 | C55 | 0.3° | 0.0° |
| C14 | C15 | N16 | H10 | 180.0° | 179.7° |
| C14 | C15 | N16 | C54 | 0.1° | 0.3° |
| C14 | C15 | N16 | C17 | 179.6° | 179.7° |
| C17 | C52 | O53 | H27 | 120.6° | 123.7° |
| C52 | C17 | N16 | C15 | 123.0° | 102.2° |
| C52 | C17 | O18 | N16 | 123.7° | 118.6° |
| C52 | C17 | O18 | H9 | 118.7° | 118.5° |
| C52 | C17 | N16 | C54 | 57.6° | 77.8° |
| C52 | C17 | N16 | H9 | 124.4° | 122.9° |
| C17 | C52 | C50 | H26 | 130.0° | 139.6° |
| C17 | C52 | O53 | H36 | 58.6° | 174.1° |
| O53 | C52 | C17 | O18 | 128.8° | 155.2° |
| O53 | C52 | C17 | N16 | 111.0° | 86.1° |
| O53 | C52 | C17 | H9 | 12.7° | 36.8° |
| O53 | C52 | C50 | H26 | 107.9° | 102.2° |
| C13 | C55 | C54 | H29 | 180.0° | 180.0° |
| C13 | C55 | C54 | N16 | 0.1° | 0.5° |
| C55 | C13 | C02 | H14 | 124.4° | 89.7° |
| C55 | C13 | C14 | H20 | 179.7° | 180.0° |
| C13 | C55 | C54 | H28 | 179.9° | 180.0° |
| C15 | N16 | C54 | C55 | 0.1° | 0.5° |
| C15 | N16 | C17 | O18 | 3.4° | 143.7° |
| C15 | N16 | C54 | C17 | 179.5° | 180.0° |
| C15 | N16 | C17 | H9 | 112.7° | 20.7° |
| N16 | C15 | C14 | H20 | 179.7° | 180.0° |
| C15 | N16 | C54 | H28 | 179.9° | 180.0° |
| N39 | C40 | N36 | C35 | 179.6° | 180.0° |
| N39 | C40 | N36 | C37 | 0.1° | 0.0° |
| C40 | N39 | C38 | C37 | 0.0° | 0.0° |
| C40 | N39 | C38 | H22 | 180.0° | 179.9° |
| C40 | N36 | C35 | C37 | 179.6° | 180.0° |
| N36 | C40 | N39 | C38 | 0.0° | 0.0° |
| C40 | N36 | C37 | C38 | 0.1° | 0.0° |
| C40 | N36 | C35 | H1 | 179.9° | 180.0° |
| C40 | N36 | C37 | H21 | 179.9° | 180.0° |
| C55 | C54 | N16 | H28 | 180.0° | 179.5° |
| C55 | C54 | N16 | C17 | 179.4° | 179.5° |
| O18 | C17 | N16 | C54 | 177.1° | 36.3° |
| O18 | C17 | N16 | H9 | 116.1° | 123.0° |
| C17 | O18 | C19 | H8 | 138.5° | 93.1° |
| O18 | C17 | C52 | H27 | 111.7° | 81.2° |
| C54 | N16 | C17 | H9 | 66.8° | 159.3° |
| C54 | N16 | C15 | H10 | 179.9° | 180.0° |
| N16 | C54 | C55 | H29 | 179.9° | 179.5° |
| C17 | N16 | C15 | H10 | 0.4° | 0.0° |
| N16 | C17 | C52 | H27 | 8.5° | 37.5° |
| C17 | N16 | C54 | H28 | 0.6° | 0.0° |
| C35 | N36 | C37 | C38 | 179.5° | 180.0° |
| C35 | N36 | C37 | H21 | 0.5° | 0.0° |
| N39 | C38 | C37 | N36 | 0.0° | 0.0° |
| N39 | C38 | C37 | H22 | 180.0° | 180.0° |
| N39 | C38 | C37 | H21 | 180.0° | 180.0° |
| N36 | C37 | C38 | H21 | 180.0° | 180.0° |
| C37 | N36 | C35 | H1 | 0.4° | 0.0° |
| N36 | C37 | C38 | H22 | 180.0° | 179.9° |
| H2 | C31 | C44 | H24 | 105.2° | 146.5° |
| H3 | C29 | C28 | H4 | 30.5° | 64.2° |
| H3 | C29 | C28 | H5 | 151.4° | 175.8° |
| H3 | C29 | C46 | H25 | 159.4° | 146.5° |
| H6 | C20 | C19 | H8 | 179.7° | 65.5° |
| H7 | C20 | C19 | H8 | 58.5° | 174.5° |
| H8 | C19 | C50 | H26 | 101.2° | 123.8° |
| H9 | C17 | C52 | H27 | 132.2° | 160.3° |
| H10 | C15 | C14 | H20 | 0.3° | 0.3° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 59.7° | 180.0° |
| H12 | C01 | C02 | H14 | 60.3° | 60.0° |
| H13 | C01 | C02 | H14 | 179.7° | 59.9° |
| H15 | C04 | H16 | H17 | 120.0° | 120.0° |
| H18 | C07 | N06 | H30 | 144.1° | 120.0° |
| H19 | C07 | N06 | H30 | 23.8° | 120.1° |
| H21 | C37 | C38 | H22 | 0.0° | 0.0° |
| H24 | C44 | C46 | H25 | 38.2° | 0.1° |
| H24 | C44 | O45 | H31 | 58.4° | 57.3° |
| H25 | C46 | O47 | H32 | 56.5° | 61.3° |
| H26 | C50 | C52 | H27 | 10.7° | 21.3° |
| H26 | C50 | O51 | H35 | 60.1° | 57.4° |
| H27 | C52 | O53 | H36 | 61.9° | 62.2° |
| H28 | C54 | C55 | H29 | 0.1° | 0.0° |
