1EX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAE | doub | 1.33Å | 1.34Å | |
| CAG | CAJ | sing | 1.51Å | 1.53Å | |
| CAE | CAD | sing | 1.47Å | 1.54Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAL | CAJ | sing | 1.53Å | 1.53Å | |
| CAN | CAP | sing | 1.53Å | 1.53Å | |
| CAD | CAF | doub | 1.33Å | 1.33Å | |
| CAP | CAQ | sing | 1.53Å | 1.53Å | |
| CAK | CAM | sing | 1.53Å | 1.53Å | |
| CAK | CAI | sing | 1.53Å | 1.53Å | |
| CAQ | CAO | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAF | CAH | sing | 1.51Å | 1.53Å | |
| CAH | CAA | sing | 1.53Å | 1.53Å | |
| CAI | CAC | sing | 1.53Å | 1.53Å | |
| CAC | OAB | sing | 1.43Å | 1.43Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAD | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAP | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAO | H20 | sing | 1.09Å | 1.10Å | |
| CAO | H21 | sing | 1.09Å | 1.10Å | |
| CAM | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.09Å | 1.10Å | |
| CAK | H24 | sing | 1.09Å | 1.10Å | |
| CAK | H25 | sing | 1.09Å | 1.10Å | |
| CAI | H26 | sing | 1.09Å | 1.10Å | |
| CAI | H27 | sing | 1.09Å | 1.10Å | |
| CAC | H28 | sing | 1.09Å | 1.10Å | |
| CAC | H29 | sing | 1.09Å | 1.10Å | |
| OAB | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAG | CAJ | 124.8° | 120.0° |
| CAG | CAE | CAD | 128.2° | 120.0° |
| CAG | CAE | H8 | 115.9° | 120.0° |
| CAE | CAG | H9 | 117.6° | 120.0° |
| CAG | CAJ | CAL | 111.0° | 109.5° |
| CAJ | CAG | H9 | 117.6° | 120.0° |
| CAG | CAJ | H10 | 109.1° | 109.5° |
| CAG | CAJ | H11 | 109.1° | 109.5° |
| CAE | CAD | CAF | 128.2° | 120.0° |
| CAE | CAD | H7 | 115.9° | 120.0° |
| CAD | CAE | H8 | 115.9° | 120.0° |
| CAN | CAL | CAJ | 111.0° | 109.5° |
| CAL | CAN | CAP | 111.0° | 109.5° |
| CAN | CAL | H12 | 109.1° | 109.5° |
| CAN | CAL | H13 | 109.1° | 109.5° |
| CAL | CAN | H14 | 109.1° | 109.5° |
| CAL | CAN | H15 | 109.1° | 109.5° |
| CAL | CAJ | H10 | 109.1° | 109.4° |
| CAL | CAJ | H11 | 109.1° | 109.5° |
| CAJ | CAL | H12 | 109.1° | 109.4° |
| CAJ | CAL | H13 | 109.1° | 109.5° |
| CAN | CAP | CAQ | 111.0° | 109.5° |
| CAP | CAN | H14 | 109.1° | 109.5° |
| CAP | CAN | H15 | 109.1° | 109.4° |
| CAN | CAP | H16 | 109.1° | 109.5° |
| CAN | CAP | H17 | 109.1° | 109.4° |
| CAD | CAF | CAH | 124.7° | 120.0° |
| CAD | CAF | H6 | 117.6° | 120.0° |
| CAF | CAD | H7 | 115.9° | 120.0° |
| CAP | CAQ | CAO | 111.0° | 109.4° |
| CAQ | CAP | H16 | 109.1° | 109.4° |
| CAQ | CAP | H17 | 109.1° | 109.5° |
| CAP | CAQ | H18 | 109.1° | 109.5° |
| CAP | CAQ | H19 | 109.1° | 109.5° |
| CAM | CAK | CAI | 111.0° | 109.5° |
| CAK | CAM | CAO | 111.0° | 109.5° |
| CAK | CAM | H22 | 109.1° | 109.4° |
| CAK | CAM | H23 | 109.1° | 109.5° |
| CAM | CAK | H24 | 109.1° | 109.4° |
| CAM | CAK | H25 | 109.1° | 109.5° |
| CAK | CAI | CAC | 111.0° | 109.4° |
| CAI | CAK | H24 | 109.1° | 109.5° |
| CAI | CAK | H25 | 109.1° | 109.5° |
| CAK | CAI | H26 | 109.1° | 109.5° |
| CAK | CAI | H27 | 109.1° | 109.5° |
| CAQ | CAO | CAM | 111.0° | 109.4° |
| CAO | CAQ | H18 | 109.1° | 109.5° |
| CAO | CAQ | H19 | 109.1° | 109.5° |
| CAQ | CAO | H20 | 109.1° | 109.5° |
| CAQ | CAO | H21 | 109.1° | 109.5° |
| CAM | CAO | H20 | 109.1° | 109.5° |
| CAM | CAO | H21 | 109.1° | 109.5° |
| CAO | CAM | H22 | 109.1° | 109.5° |
| CAO | CAM | H23 | 109.1° | 109.5° |
| CAF | CAH | CAA | 111.0° | 109.4° |
| CAF | CAH | H4 | 109.1° | 109.5° |
| CAF | CAH | H5 | 109.1° | 109.5° |
| CAH | CAF | H6 | 117.7° | 120.0° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.4° | 109.4° |
| CAH | CAA | H3 | 109.5° | 109.4° |
| CAA | CAH | H4 | 109.1° | 109.5° |
| CAA | CAH | H5 | 109.1° | 109.4° |
| CAI | CAC | OAB | 121.0° | 109.4° |
| CAC | CAI | H26 | 109.1° | 109.5° |
| CAC | CAI | H27 | 109.1° | 109.5° |
| CAI | CAC | H28 | 106.5° | 109.5° |
| CAI | CAC | H29 | 106.5° | 109.5° |
| OAB | CAC | H28 | 106.5° | 109.5° |
| OAB | CAC | H29 | 106.5° | 109.4° |
| CAC | OAB | H30 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H10 | CAJ | H11 | 109.5° | 109.4° |
| H12 | CAL | H13 | 109.4° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAP | H17 | 109.4° | 109.5° |
| H18 | CAQ | H19 | 109.4° | 109.5° |
| H20 | CAO | H21 | 109.5° | 109.5° |
| H22 | CAM | H23 | 109.5° | 109.4° |
| H24 | CAK | H25 | 109.5° | 109.4° |
| H26 | CAI | H27 | 109.5° | 109.5° |
| H28 | CAC | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAG | CAJ | H9 | 180.0° | 180.0° |
| CAG | CAE | CAD | H8 | 180.0° | 179.9° |
| CAE | CAG | CAJ | CAL | 158.6° | 125.5° |
| CAG | CAE | CAD | CAF | 0.0° | 174.8° |
| CAG | CAE | CAD | H7 | 180.0° | 5.2° |
| CAE | CAG | CAJ | H10 | 81.2° | 114.5° |
| CAE | CAG | CAJ | H11 | 38.4° | 5.4° |
| CAJ | CAG | CAE | CAD | 0.0° | 4.9° |
| CAG | CAJ | CAL | CAN | 130.5° | 180.0° |
| CAG | CAJ | CAL | H10 | 120.2° | 120.0° |
| CAG | CAJ | CAL | H11 | 120.2° | 120.0° |
| CAJ | CAG | CAE | H8 | 180.0° | 175.2° |
| CAG | CAJ | H10 | H11 | 119.3° | 119.9° |
| CAG | CAJ | CAL | H12 | 10.2° | 60.0° |
| CAG | CAJ | CAL | H13 | 109.3° | 60.0° |
| CAE | CAD | CAF | H7 | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 0.0° | 6.0° |
| CAE | CAD | CAF | H6 | 180.0° | 173.9° |
| CAD | CAE | CAG | H9 | 180.0° | 175.1° |
| CAN | CAL | CAJ | H12 | 120.3° | 120.0° |
| CAN | CAL | CAJ | H13 | 120.2° | 120.0° |
| CAL | CAN | CAP | H14 | 120.2° | 120.0° |
| CAL | CAN | CAP | H15 | 120.2° | 120.0° |
| CAL | CAN | CAP | CAQ | 168.1° | 180.0° |
| CAN | CAL | CAJ | H10 | 10.3° | 60.0° |
| CAN | CAL | CAJ | H11 | 109.3° | 59.9° |
| CAN | CAL | H12 | H13 | 119.2° | 120.0° |
| CAL | CAN | H14 | H15 | 119.3° | 120.1° |
| CAL | CAN | CAP | H16 | 47.9° | 60.0° |
| CAL | CAN | CAP | H17 | 71.6° | 60.0° |
| CAJ | CAL | CAN | CAP | 72.9° | 180.0° |
| CAL | CAJ | CAG | H9 | 21.4° | 54.5° |
| CAL | CAJ | H10 | H11 | 119.3° | 120.0° |
| CAJ | CAL | H12 | H13 | 119.3° | 120.0° |
| CAJ | CAL | CAN | H14 | 166.9° | 60.1° |
| CAJ | CAL | CAN | H15 | 47.3° | 60.0° |
| CAN | CAP | CAQ | H16 | 120.2° | 120.0° |
| CAN | CAP | CAQ | H17 | 120.2° | 120.0° |
| CAN | CAP | CAQ | CAO | 117.5° | 180.0° |
| CAP | CAN | CAL | H12 | 166.9° | 60.0° |
| CAP | CAN | CAL | H13 | 47.4° | 60.0° |
| CAP | CAN | H14 | H15 | 119.3° | 120.0° |
| CAN | CAP | H16 | H17 | 119.3° | 120.0° |
| CAN | CAP | CAQ | H18 | 2.7° | 60.0° |
| CAN | CAP | CAQ | H19 | 122.3° | 60.0° |
| CAD | CAF | CAH | H6 | 180.0° | 179.9° |
| CAD | CAF | CAH | CAA | 156.5° | 121.1° |
| CAD | CAF | CAH | H4 | 83.3° | 1.1° |
| CAD | CAF | CAH | H5 | 36.2° | 119.0° |
| CAF | CAD | CAE | H8 | 180.0° | 5.1° |
| CAP | CAQ | CAO | H18 | 120.2° | 120.0° |
| CAP | CAQ | CAO | H19 | 120.2° | 120.0° |
| CAP | CAQ | CAO | CAM | 166.7° | 180.0° |
| CAQ | CAP | CAN | H14 | 71.6° | 60.0° |
| CAQ | CAP | CAN | H15 | 47.9° | 60.0° |
| CAQ | CAP | H16 | H17 | 119.3° | 120.1° |
| CAP | CAQ | H18 | H19 | 119.3° | 120.0° |
| CAP | CAQ | CAO | H20 | 73.1° | 60.0° |
| CAP | CAQ | CAO | H21 | 46.5° | 60.0° |
| CAM | CAK | CAI | H24 | 120.2° | 120.0° |
| CAM | CAK | CAI | H25 | 120.2° | 120.0° |
| CAK | CAM | CAO | CAQ | 12.5° | 180.0° |
| CAK | CAM | CAO | H22 | 120.2° | 120.0° |
| CAK | CAM | CAO | H23 | 120.2° | 120.0° |
| CAM | CAK | CAI | CAC | 96.3° | 180.0° |
| CAK | CAM | CAO | H20 | 107.7° | 60.1° |
| CAK | CAM | CAO | H21 | 132.7° | 60.0° |
| CAK | CAM | H22 | H23 | 119.3° | 120.0° |
| CAM | CAK | H24 | H25 | 119.3° | 120.0° |
| CAM | CAK | CAI | H26 | 143.5° | 60.1° |
| CAM | CAK | CAI | H27 | 23.9° | 60.0° |
| CAI | CAK | CAM | CAO | 56.7° | NaN° |
| CAK | CAI | CAC | H26 | 120.2° | 120.0° |
| CAK | CAI | CAC | H27 | 120.3° | 120.0° |
| CAK | CAI | CAC | OAB | 22.3° | 180.0° |
| CAI | CAK | CAM | H22 | 176.9° | 60.0° |
| CAI | CAK | CAM | H23 | 63.5° | 59.9° |
| CAI | CAK | H24 | H25 | 119.3° | 120.0° |
| CAK | CAI | H26 | H27 | 119.3° | 120.0° |
| CAK | CAI | CAC | H28 | 99.3° | 60.0° |
| CAK | CAI | CAC | H29 | 143.9° | 60.0° |
| CAQ | CAO | CAM | H20 | 120.2° | 120.0° |
| CAQ | CAO | CAM | H21 | 120.2° | 120.0° |
| CAO | CAQ | CAP | H16 | 122.3° | 60.0° |
| CAO | CAQ | CAP | H17 | 2.7° | 60.0° |
| CAO | CAQ | H18 | H19 | 119.3° | 120.0° |
| CAQ | CAO | H20 | H21 | 119.3° | 120.0° |
| CAQ | CAO | CAM | H22 | 107.7° | 60.0° |
| CAQ | CAO | CAM | H23 | 132.7° | 60.0° |
| CAM | CAO | CAQ | H18 | 46.5° | 60.0° |
| CAM | CAO | CAQ | H19 | 73.0° | 60.0° |
| CAM | CAO | H20 | H21 | 119.3° | 120.0° |
| CAO | CAM | H22 | H23 | 119.3° | 120.0° |
| CAO | CAM | CAK | H24 | 176.9° | 60.0° |
| CAO | CAM | CAK | H25 | 63.5° | 59.9° |
| CAF | CAH | CAA | H4 | 120.2° | 120.0° |
| CAF | CAH | CAA | H5 | 120.2° | 120.0° |
| CAF | CAH | CAA | H1 | 180.0° | 60.0° |
| CAF | CAH | CAA | H2 | 60.0° | 180.0° |
| CAF | CAH | CAA | H3 | 60.0° | 60.0° |
| CAF | CAH | H4 | H5 | 119.3° | 120.1° |
| CAH | CAF | CAD | H7 | 180.0° | 174.0° |
| CAH | CAA | H1 | H2 | 120.0° | 119.9° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 119.3° | 119.9° |
| CAA | CAH | CAF | H6 | 23.5° | 59.0° |
| CAI | CAC | OAB | H28 | 121.6° | 120.0° |
| CAI | CAC | OAB | H29 | 121.6° | 120.0° |
| CAC | CAI | CAK | H24 | 23.9° | 60.0° |
| CAC | CAI | CAK | H25 | 143.5° | 60.0° |
| CAC | CAI | H26 | H27 | 119.2° | 120.0° |
| CAI | CAC | H28 | H29 | 114.8° | 120.0° |
| CAI | CAC | OAB | H30 | 180.0° | 180.0° |
| OAB | CAC | CAI | H26 | 142.6° | 60.0° |
| OAB | CAC | CAI | H27 | 97.9° | 60.0° |
| OAB | CAC | H28 | H29 | 114.8° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H1 | CAA | CAH | H4 | 59.8° | 179.9° |
| H1 | CAA | CAH | H5 | 59.8° | 60.0° |
| H2 | CAA | CAH | H4 | 179.8° | 60.0° |
| H2 | CAA | CAH | H5 | 60.2° | 60.0° |
| H3 | CAA | CAH | H4 | 60.2° | 60.0° |
| H3 | CAA | CAH | H5 | 179.8° | 180.0° |
| H4 | CAH | CAF | H6 | 96.7° | 179.0° |
| H5 | CAH | CAF | H6 | 143.8° | 60.9° |
| H6 | CAF | CAD | H7 | 0.1° | 6.1° |
| H7 | CAD | CAE | H8 | 0.0° | 174.9° |
| H8 | CAE | CAG | H9 | 0.0° | 4.8° |
| H9 | CAG | CAJ | H10 | 98.8° | 65.5° |
| H9 | CAG | CAJ | H11 | 141.6° | 174.6° |
| H10 | CAJ | CAL | H12 | 110.0° | 180.0° |
| H10 | CAJ | CAL | H13 | 130.5° | 60.0° |
| H11 | CAJ | CAL | H12 | 130.5° | 60.0° |
| H11 | CAJ | CAL | H13 | 10.9° | 180.0° |
| H12 | CAL | CAN | H14 | 46.6° | 180.0° |
| H12 | CAL | CAN | H15 | 72.9° | 60.0° |
| H13 | CAL | CAN | H14 | 72.8° | 60.0° |
| H13 | CAL | CAN | H15 | 167.6° | 179.9° |
| H14 | CAN | CAP | H16 | 168.1° | 180.0° |
| H14 | CAN | CAP | H17 | 48.6° | 60.0° |
| H15 | CAN | CAP | H16 | 72.3° | 60.0° |
| H15 | CAN | CAP | H17 | 168.2° | 180.0° |
| H16 | CAP | CAQ | H18 | 117.5° | 180.0° |
| H16 | CAP | CAQ | H19 | 2.0° | 59.9° |
| H17 | CAP | CAQ | H18 | 123.0° | 60.0° |
| H17 | CAP | CAQ | H19 | 117.5° | 180.0° |
| H18 | CAQ | CAO | H20 | 166.7° | 180.0° |
| H18 | CAQ | CAO | H21 | 73.7° | 60.0° |
| H19 | CAQ | CAO | H20 | 47.2° | 60.0° |
| H19 | CAQ | CAO | H21 | 166.8° | NaN° |
| H20 | CAO | CAM | H22 | 132.1° | 180.0° |
| H20 | CAO | CAM | H23 | 12.5° | 60.0° |
| H21 | CAO | CAM | H22 | 12.5° | 60.0° |
| H21 | CAO | CAM | H23 | 107.0° | 180.0° |
| H22 | CAM | CAK | H24 | 62.9° | 180.0° |
| H22 | CAM | CAK | H25 | 56.7° | 60.1° |
| H23 | CAM | CAK | H24 | 56.7° | 60.1° |
| H23 | CAM | CAK | H25 | 176.2° | 180.0° |
| H24 | CAK | CAI | H26 | 96.3° | 180.0° |
| H24 | CAK | CAI | H27 | 144.2° | 60.0° |
| H25 | CAK | CAI | H26 | 23.2° | 60.0° |
| H25 | CAK | CAI | H27 | 96.3° | 180.0° |
| H26 | CAI | CAC | H28 | 21.0° | 180.0° |
| H26 | CAI | CAC | H29 | 95.8° | 60.0° |
| H27 | CAI | CAC | H28 | 140.5° | 60.0° |
| H27 | CAI | CAC | H29 | 23.7° | 180.0° |
| H28 | CAC | OAB | H30 | 58.4° | 60.0° |
| H29 | CAC | OAB | H30 | 58.4° | 60.0° |
