CWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.53Å | |
| NAB | CAL | sing | 1.47Å | 1.49Å | |
| CAL | CAJ | sing | 1.53Å | 1.56Å | |
| CAJ | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAF | sing | 1.53Å | 1.55Å | |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAE | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAI | sing | 1.53Å | 1.51Å | |
| CAI | CAK | sing | 1.51Å | 1.51Å | |
| OAC | CAK | doub | 1.21Å | 1.26Å | |
| CAK | OAD | sing | 1.34Å | 1.26Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAI | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| NAB | H18 | sing | 1.01Å | 1.00Å | |
| NAB | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | NAB | 113.0° | 109.5° |
| CAA | CAL | CAJ | 110.4° | 109.5° |
| CAA | CAL | H14 | 106.6° | 109.5° |
| CAL | CAA | H15 | 109.5° | 109.5° |
| CAL | CAA | H16 | 109.5° | 109.5° |
| CAL | CAA | H17 | 109.4° | 109.5° |
| NAB | CAL | CAJ | 113.1° | 109.4° |
| NAB | CAL | H14 | 107.1° | 109.5° |
| CAL | NAB | H18 | 109.5° | 111.0° |
| CAL | NAB | H19 | 109.5° | 110.9° |
| CAL | CAJ | CAH | 110.5° | 109.5° |
| CAL | CAJ | H12 | 109.2° | 109.4° |
| CAL | CAJ | H13 | 109.2° | 109.4° |
| CAJ | CAL | H14 | 106.3° | 109.5° |
| CAJ | CAH | CAF | 110.8° | 109.4° |
| CAJ | CAH | H10 | 109.2° | 109.5° |
| CAJ | CAH | H11 | 109.2° | 109.4° |
| CAH | CAJ | H12 | 109.2° | 109.5° |
| CAH | CAJ | H13 | 109.2° | 109.5° |
| CAH | CAF | CAE | 111.8° | 109.5° |
| CAH | CAF | H8 | 108.9° | 109.5° |
| CAH | CAF | H9 | 108.9° | 109.5° |
| CAF | CAH | H10 | 109.2° | 109.5° |
| CAF | CAH | H11 | 109.2° | 109.5° |
| CAF | CAE | CAG | 114.3° | 109.5° |
| CAF | CAE | H6 | 108.2° | 109.5° |
| CAF | CAE | H7 | 108.2° | 109.5° |
| CAE | CAF | H8 | 108.9° | 109.4° |
| CAE | CAF | H9 | 108.9° | 109.5° |
| CAE | CAG | CAI | 101.0° | 109.5° |
| CAE | CAG | H4 | 111.5° | 109.5° |
| CAE | CAG | H5 | 111.5° | 109.5° |
| CAG | CAE | H6 | 108.2° | 109.5° |
| CAG | CAE | H7 | 108.2° | 109.5° |
| CAG | CAI | CAK | 112.3° | 109.4° |
| CAG | CAI | H2 | 108.7° | 109.4° |
| CAG | CAI | H3 | 108.7° | 109.5° |
| CAI | CAG | H4 | 111.5° | 109.4° |
| CAI | CAG | H5 | 111.6° | 109.5° |
| CAI | CAK | OAC | 119.5° | 120.0° |
| CAI | CAK | OAD | 113.5° | 120.0° |
| CAK | CAI | H2 | 108.7° | 109.5° |
| CAK | CAI | H3 | 108.7° | 109.5° |
| OAC | CAK | OAD | 126.9° | 120.0° |
| CAK | OAD | H1 | 109.5° | 117.0° |
| H2 | CAI | H3 | 109.5° | 109.5° |
| H4 | CAG | H5 | 109.5° | 109.5° |
| H6 | CAE | H7 | 109.5° | 109.4° |
| H8 | CAF | H9 | 109.5° | 109.5° |
| H10 | CAH | H11 | 109.4° | 109.4° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H17 | 109.5° | 109.4° |
| H16 | CAA | H17 | 109.5° | 109.5° |
| H18 | NAB | H19 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | NAB | CAJ | 126.3° | 120.0° |
| CAA | CAL | NAB | H14 | 117.0° | 120.0° |
| CAA | CAL | CAJ | H14 | 115.2° | 120.0° |
| CAA | CAL | CAJ | CAH | 61.7° | 175.0° |
| CAA | CAL | CAJ | H12 | 58.4° | 65.0° |
| CAA | CAL | CAJ | H13 | 178.1° | 55.0° |
| CAL | CAA | H15 | H16 | 120.0° | 120.0° |
| CAL | CAA | H15 | H17 | 120.0° | 120.0° |
| CAL | CAA | H16 | H17 | 120.0° | 120.0° |
| CAA | CAL | NAB | H18 | 180.0° | 63.9° |
| CAA | CAL | NAB | H19 | 60.0° | 60.0° |
| NAB | CAL | CAJ | H14 | 117.2° | 120.0° |
| NAB | CAL | CAJ | CAH | 170.6° | 65.0° |
| NAB | CAL | CAJ | H12 | 69.2° | 55.0° |
| NAB | CAL | CAJ | H13 | 50.4° | 175.0° |
| NAB | CAL | CAA | H15 | 180.0° | 60.0° |
| NAB | CAL | CAA | H16 | 60.0° | 60.0° |
| NAB | CAL | CAA | H17 | 60.0° | 180.0° |
| CAL | NAB | H18 | H19 | 120.0° | 123.9° |
| CAL | CAJ | CAH | H12 | 120.2° | 120.0° |
| CAL | CAJ | CAH | H13 | 120.2° | 119.9° |
| CAL | CAJ | CAH | CAF | 75.9° | 180.0° |
| CAL | CAJ | CAH | H10 | 44.3° | 59.9° |
| CAL | CAJ | CAH | H11 | 163.9° | 60.0° |
| CAL | CAJ | H12 | H13 | 119.5° | 119.9° |
| CAJ | CAL | CAA | H15 | 52.3° | 180.0° |
| CAJ | CAL | CAA | H16 | 172.3° | 60.0° |
| CAJ | CAL | CAA | H17 | 67.7° | 60.0° |
| CAJ | CAL | NAB | H18 | 53.8° | 56.1° |
| CAJ | CAL | NAB | H19 | 66.3° | 180.0° |
| CAJ | CAH | CAF | H10 | 120.2° | 120.1° |
| CAJ | CAH | CAF | H11 | 120.2° | 119.9° |
| CAJ | CAH | CAF | CAE | 140.9° | 180.0° |
| CAJ | CAH | CAF | H8 | 20.6° | 60.0° |
| CAJ | CAH | CAF | H9 | 98.7° | 60.1° |
| CAJ | CAH | H10 | H11 | 119.4° | 120.0° |
| CAH | CAJ | H12 | H13 | 119.5° | 120.1° |
| CAH | CAJ | CAL | H14 | 53.4° | 55.0° |
| CAH | CAF | CAE | H8 | 120.3° | 120.0° |
| CAH | CAF | CAE | H9 | 120.3° | 120.0° |
| CAH | CAF | CAE | CAG | 110.7° | 180.0° |
| CAH | CAF | CAE | H6 | 10.0° | 60.0° |
| CAH | CAF | CAE | H7 | 128.7° | 60.0° |
| CAH | CAF | H8 | H9 | 118.9° | 120.0° |
| CAF | CAH | H10 | H11 | 119.4° | 120.0° |
| CAF | CAH | CAJ | H12 | 164.0° | 60.0° |
| CAF | CAH | CAJ | H13 | 44.3° | 60.1° |
| CAF | CAE | CAG | H6 | 120.7° | 120.0° |
| CAF | CAE | CAG | H7 | 120.7° | 120.0° |
| CAF | CAE | CAG | CAI | 150.4° | 180.0° |
| CAF | CAE | CAG | H4 | 31.8° | 60.0° |
| CAF | CAE | CAG | H5 | 90.9° | 60.0° |
| CAF | CAE | H6 | H7 | 117.8° | 120.0° |
| CAE | CAF | H8 | H9 | 119.0° | 120.0° |
| CAE | CAF | CAH | H10 | 98.8° | 60.0° |
| CAE | CAF | CAH | H11 | 20.7° | 60.0° |
| CAE | CAG | CAI | H4 | 118.6° | 120.0° |
| CAE | CAG | CAI | H5 | 118.6° | 120.0° |
| CAE | CAG | CAI | CAK | 157.5° | 180.0° |
| CAE | CAG | CAI | H2 | 82.1° | 60.0° |
| CAE | CAG | CAI | H3 | 37.0° | 60.0° |
| CAE | CAG | H4 | H5 | 123.9° | 120.0° |
| CAG | CAE | H6 | H7 | 117.8° | 120.0° |
| CAG | CAE | CAF | H8 | 129.0° | 60.0° |
| CAG | CAE | CAF | H9 | 9.7° | 60.0° |
| CAG | CAI | CAK | H2 | 120.4° | 120.0° |
| CAG | CAI | CAK | H3 | 120.4° | 120.0° |
| CAG | CAI | CAK | OAC | 75.7° | 0.0° |
| CAG | CAI | CAK | OAD | 108.3° | 179.7° |
| CAG | CAI | H2 | H3 | 118.7° | 120.0° |
| CAI | CAG | H4 | H5 | 124.0° | 120.0° |
| CAI | CAG | CAE | H6 | 88.9° | 60.0° |
| CAI | CAG | CAE | H7 | 29.7° | 59.9° |
| CAI | CAK | OAC | OAD | 175.5° | 179.7° |
| CAI | CAK | OAD | H1 | 175.7° | 179.7° |
| CAK | CAI | H2 | H3 | 118.7° | 120.0° |
| CAK | CAI | CAG | H4 | 38.8° | 60.0° |
| CAK | CAI | CAG | H5 | 83.9° | 60.0° |
| OAC | CAK | OAD | H1 | 0.0° | 0.0° |
| OAC | CAK | CAI | H2 | 44.7° | 120.0° |
| OAC | CAK | CAI | H3 | 163.9° | 120.0° |
| OAD | CAK | CAI | H2 | 131.3° | 60.3° |
| OAD | CAK | CAI | H3 | 12.1° | 59.7° |
| H2 | CAI | CAG | H4 | 159.3° | 180.0° |
| H2 | CAI | CAG | H5 | 36.5° | 60.0° |
| H3 | CAI | CAG | H4 | 81.6° | 60.0° |
| H3 | CAI | CAG | H5 | 155.7° | 180.0° |
| H4 | CAG | CAE | H6 | 152.5° | 180.0° |
| H4 | CAG | CAE | H7 | 88.9° | 60.0° |
| H5 | CAG | CAE | H6 | 29.8° | 60.0° |
| H5 | CAG | CAE | H7 | 148.4° | 180.0° |
| H6 | CAE | CAF | H8 | 110.3° | 180.0° |
| H6 | CAE | CAF | H9 | 130.4° | 60.0° |
| H7 | CAE | CAF | H8 | 8.3° | 60.0° |
| H7 | CAE | CAF | H9 | 111.0° | 180.0° |
| H8 | CAF | CAH | H10 | 140.8° | 180.0° |
| H8 | CAF | CAH | H11 | 99.6° | 60.0° |
| H9 | CAF | CAH | H10 | 21.5° | 60.0° |
| H9 | CAF | CAH | H11 | 141.1° | 180.0° |
| H10 | CAH | CAJ | H12 | 75.8° | 179.9° |
| H10 | CAH | CAJ | H13 | 164.5° | 60.0° |
| H11 | CAH | CAJ | H12 | 43.7° | 60.0° |
| H11 | CAH | CAJ | H13 | 75.9° | 180.0° |
| H12 | CAJ | CAL | H14 | 173.6° | 175.0° |
| H13 | CAJ | CAL | H14 | 66.7° | 65.0° |
| H14 | CAL | CAA | H15 | 62.7° | 60.0° |
| H14 | CAL | CAA | H16 | 57.3° | 180.0° |
| H14 | CAL | CAA | H17 | 177.3° | 60.0° |
| H14 | CAL | NAB | H18 | 62.9° | 176.1° |
| H14 | CAL | NAB | H19 | 177.0° | 60.0° |
| H15 | CAA | H16 | H17 | 120.0° | 120.0° |
