1EY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAG | sing | 1.53Å | 1.53Å | |
| CAE | CAG | sing | 1.51Å | 1.53Å | |
| CAE | CAC | doub | 1.33Å | 1.35Å | |
| OAB | CAH | doub | 1.21Å | 1.33Å | |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| CAN | CAP | sing | 1.53Å | 1.53Å | |
| CAC | CAD | sing | 1.47Å | 1.54Å | |
| CAL | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | CAH | sing | 1.51Å | 1.53Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAQ | CAO | sing | 1.53Å | 1.53Å | |
| CAI | CAF | sing | 1.51Å | 1.53Å | |
| CAI | CAK | sing | 1.53Å | 1.53Å | |
| CAD | CAF | doub | 1.33Å | 1.34Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.09Å | 1.10Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAP | H20 | sing | 1.09Å | 1.10Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å | |
| CAN | H22 | sing | 1.09Å | 1.10Å | |
| CAN | H23 | sing | 1.09Å | 1.10Å | |
| CAL | H24 | sing | 1.09Å | 1.10Å | |
| CAL | H25 | sing | 1.09Å | 1.10Å | |
| CAJ | H26 | sing | 1.09Å | 1.10Å | |
| CAJ | H27 | sing | 1.09Å | 1.10Å | |
| CAH | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAG | CAE | 110.4° | 109.5° |
| CAG | CAA | H1 | 109.5° | 109.5° |
| CAG | CAA | H2 | 109.5° | 109.5° |
| CAG | CAA | H3 | 109.5° | 109.5° |
| CAA | CAG | H4 | 109.2° | 109.5° |
| CAA | CAG | H5 | 109.2° | 109.5° |
| CAG | CAE | CAC | 124.6° | 120.0° |
| CAE | CAG | H4 | 109.2° | 109.4° |
| CAE | CAG | H5 | 109.2° | 109.5° |
| CAG | CAE | H6 | 117.7° | 120.0° |
| CAE | CAC | CAD | 128.5° | 120.0° |
| CAC | CAE | H6 | 117.7° | 120.0° |
| CAE | CAC | H7 | 115.7° | 120.0° |
| OAB | CAH | CAJ | 110.2° | 120.0° |
| OAB | CAH | H28 | 124.9° | 120.0° |
| CAL | CAN | CAP | 111.4° | 109.5° |
| CAN | CAL | CAJ | 111.2° | 109.4° |
| CAL | CAN | H22 | 109.0° | 109.5° |
| CAL | CAN | H23 | 109.0° | 109.5° |
| CAN | CAL | H24 | 109.0° | 109.5° |
| CAN | CAL | H25 | 109.1° | 109.5° |
| CAN | CAP | CAQ | 111.5° | 109.5° |
| CAN | CAP | H20 | 109.0° | 109.5° |
| CAN | CAP | H21 | 109.0° | 109.5° |
| CAP | CAN | H22 | 109.0° | 109.5° |
| CAP | CAN | H23 | 109.0° | 109.5° |
| CAC | CAD | CAF | 128.2° | 120.0° |
| CAD | CAC | H7 | 115.7° | 120.0° |
| CAC | CAD | H8 | 115.9° | 120.0° |
| CAL | CAJ | CAH | 111.3° | 109.5° |
| CAJ | CAL | H24 | 109.0° | 109.5° |
| CAJ | CAL | H25 | 109.0° | 109.4° |
| CAL | CAJ | H26 | 109.0° | 109.5° |
| CAL | CAJ | H27 | 109.0° | 109.4° |
| CAH | CAJ | H26 | 109.0° | 109.5° |
| CAH | CAJ | H27 | 109.0° | 109.5° |
| CAJ | CAH | H28 | 124.9° | 120.0° |
| CAP | CAQ | CAO | 111.2° | 109.5° |
| CAP | CAQ | H18 | 109.1° | 109.4° |
| CAP | CAQ | H19 | 109.1° | 109.5° |
| CAQ | CAP | H20 | 108.9° | 109.4° |
| CAQ | CAP | H21 | 109.0° | 109.5° |
| CAQ | CAO | CAM | 111.6° | 109.5° |
| CAQ | CAO | H16 | 108.9° | 109.4° |
| CAQ | CAO | H17 | 108.9° | 109.5° |
| CAO | CAQ | H18 | 109.1° | 109.5° |
| CAO | CAQ | H19 | 109.0° | 109.5° |
| CAF | CAI | CAK | 110.5° | 109.4° |
| CAI | CAF | CAD | 124.0° | 120.0° |
| CAI | CAF | H9 | 118.0° | 120.0° |
| CAF | CAI | H10 | 109.2° | 109.5° |
| CAF | CAI | H11 | 109.2° | 109.4° |
| CAI | CAK | CAM | 111.4° | 109.5° |
| CAK | CAI | H10 | 109.2° | 109.5° |
| CAK | CAI | H11 | 109.2° | 109.5° |
| CAI | CAK | H12 | 109.0° | 109.5° |
| CAI | CAK | H13 | 109.0° | 109.5° |
| CAF | CAD | H8 | 115.9° | 120.0° |
| CAD | CAF | H9 | 118.0° | 120.0° |
| CAO | CAM | CAK | 111.3° | 109.5° |
| CAO | CAM | H14 | 109.0° | 109.5° |
| CAO | CAM | H15 | 109.0° | 109.5° |
| CAM | CAO | H16 | 108.9° | 109.5° |
| CAM | CAO | H17 | 108.9° | 109.5° |
| CAM | CAK | H12 | 109.0° | 109.5° |
| CAM | CAK | H13 | 109.0° | 109.4° |
| CAK | CAM | H14 | 109.0° | 109.4° |
| CAK | CAM | H15 | 109.0° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAG | H5 | 109.5° | 109.4° |
| H10 | CAI | H11 | 109.5° | 109.5° |
| H12 | CAK | H13 | 109.4° | 109.4° |
| H14 | CAM | H15 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.5° |
| H18 | CAQ | H19 | 109.5° | 109.4° |
| H20 | CAP | H21 | 109.5° | 109.4° |
| H22 | CAN | H23 | 109.5° | 109.4° |
| H24 | CAL | H25 | 109.5° | 109.5° |
| H26 | CAJ | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAG | CAE | H4 | 120.1° | 120.0° |
| CAA | CAG | CAE | H5 | 120.1° | 120.0° |
| CAA | CAG | CAE | CAC | 156.2° | 121.1° |
| CAG | CAA | H1 | H2 | 120.0° | 120.0° |
| CAG | CAA | H1 | H3 | 120.0° | 120.0° |
| CAG | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAG | H4 | H5 | 119.5° | 120.0° |
| CAA | CAG | CAE | H6 | 23.8° | 59.0° |
| CAG | CAE | CAC | H6 | 180.0° | 179.9° |
| CAG | CAE | CAC | CAD | 0.7° | 6.0° |
| CAE | CAG | CAA | H1 | 180.0° | 180.0° |
| CAE | CAG | CAA | H2 | 60.0° | 60.0° |
| CAE | CAG | CAA | H3 | 60.0° | 60.0° |
| CAE | CAG | H4 | H5 | 119.6° | 120.0° |
| CAG | CAE | CAC | H7 | 179.3° | 174.0° |
| CAE | CAC | CAD | H7 | 180.0° | 180.0° |
| CAE | CAC | CAD | CAF | 0.6° | 174.8° |
| CAC | CAE | CAG | H4 | 36.0° | 1.1° |
| CAC | CAE | CAG | H5 | 83.7° | 118.9° |
| CAE | CAC | CAD | H8 | 179.4° | 5.3° |
| OAB | CAH | CAJ | CAL | 88.0° | 125.0° |
| OAB | CAH | CAJ | H28 | 180.0° | 180.0° |
| OAB | CAH | CAJ | H26 | 151.7° | 5.0° |
| OAB | CAH | CAJ | H27 | 32.2° | 115.0° |
| CAL | CAN | CAP | H22 | 120.3° | 120.1° |
| CAL | CAN | CAP | H23 | 120.3° | 120.0° |
| CAN | CAL | CAJ | H24 | 120.3° | 120.0° |
| CAN | CAL | CAJ | H25 | 120.3° | 120.0° |
| CAN | CAL | CAJ | CAH | 171.9° | 180.0° |
| CAL | CAN | CAP | CAQ | 148.0° | 180.0° |
| CAL | CAN | CAP | H20 | 91.8° | 60.0° |
| CAL | CAN | CAP | H21 | 27.7° | 60.0° |
| CAL | CAN | H22 | H23 | 119.1° | 120.0° |
| CAN | CAL | H24 | H25 | 119.2° | 120.0° |
| CAN | CAL | CAJ | H26 | 67.8° | 60.0° |
| CAN | CAL | CAJ | H27 | 51.6° | 60.0° |
| CAP | CAN | CAL | CAJ | 82.4° | 180.0° |
| CAN | CAP | CAQ | H20 | 120.3° | 120.0° |
| CAN | CAP | CAQ | H21 | 120.3° | 120.1° |
| CAN | CAP | CAQ | CAO | 159.8° | 180.0° |
| CAN | CAP | CAQ | H18 | 39.5° | 60.0° |
| CAN | CAP | CAQ | H19 | 79.9° | 59.9° |
| CAN | CAP | H20 | H21 | 119.1° | 120.0° |
| CAP | CAN | H22 | H23 | 119.1° | 120.0° |
| CAP | CAN | CAL | H24 | 157.3° | 60.0° |
| CAP | CAN | CAL | H25 | 37.9° | 60.0° |
| CAC | CAD | CAF | CAI | 0.5° | 4.9° |
| CAC | CAD | CAF | H8 | 180.0° | 179.9° |
| CAD | CAC | CAE | H6 | 179.3° | 173.9° |
| CAC | CAD | CAF | H9 | 179.6° | 175.1° |
| CAL | CAJ | CAH | H26 | 120.3° | 120.0° |
| CAL | CAJ | CAH | H27 | 120.3° | 120.0° |
| CAJ | CAL | CAN | H22 | 157.3° | 60.0° |
| CAJ | CAL | CAN | H23 | 37.9° | 60.0° |
| CAJ | CAL | H24 | H25 | 119.2° | 120.0° |
| CAL | CAJ | H26 | H27 | 119.2° | 120.0° |
| CAL | CAJ | CAH | H28 | 92.0° | 55.0° |
| CAH | CAJ | CAL | H24 | 51.7° | 60.0° |
| CAH | CAJ | CAL | H25 | 67.8° | 60.0° |
| CAH | CAJ | H26 | H27 | 119.2° | 120.0° |
| CAP | CAQ | CAO | H18 | 120.3° | 119.9° |
| CAP | CAQ | CAO | H19 | 120.3° | 120.1° |
| CAP | CAQ | CAO | CAM | 149.6° | 180.0° |
| CAP | CAQ | CAO | H16 | 29.3° | 60.1° |
| CAP | CAQ | CAO | H17 | 90.1° | 59.9° |
| CAP | CAQ | H18 | H19 | 119.2° | 119.9° |
| CAQ | CAP | H20 | H21 | 119.1° | 119.9° |
| CAQ | CAP | CAN | H22 | 27.7° | 60.0° |
| CAQ | CAP | CAN | H23 | 91.7° | 60.0° |
| CAQ | CAO | CAM | H16 | 120.3° | 119.9° |
| CAQ | CAO | CAM | H17 | 120.3° | 120.0° |
| CAQ | CAO | CAM | CAK | 106.1° | 180.0° |
| CAQ | CAO | CAM | H14 | 133.6° | 60.1° |
| CAQ | CAO | CAM | H15 | 14.2° | 60.0° |
| CAQ | CAO | H16 | H17 | 119.1° | 120.0° |
| CAO | CAQ | H18 | H19 | 119.2° | 120.1° |
| CAO | CAQ | CAP | H20 | 79.9° | 60.0° |
| CAO | CAQ | CAP | H21 | 39.5° | 59.9° |
| CAF | CAI | CAK | H10 | 120.2° | 120.0° |
| CAF | CAI | CAK | H11 | 120.1° | 119.9° |
| CAI | CAF | CAD | H9 | 180.0° | 180.0° |
| CAF | CAI | CAK | CAM | 107.0° | 180.0° |
| CAI | CAF | CAD | H8 | 179.5° | 175.0° |
| CAF | CAI | H10 | H11 | 119.5° | 120.0° |
| CAF | CAI | CAK | H12 | 13.3° | 60.0° |
| CAF | CAI | CAK | H13 | 132.7° | 60.0° |
| CAK | CAI | CAF | CAD | 166.6° | 125.5° |
| CAI | CAK | CAM | CAO | 146.6° | 180.0° |
| CAI | CAK | CAM | H12 | 120.3° | 120.1° |
| CAI | CAK | CAM | H13 | 120.3° | 120.0° |
| CAK | CAI | CAF | H9 | 13.4° | 54.5° |
| CAK | CAI | H10 | H11 | 119.5° | 120.0° |
| CAI | CAK | H12 | H13 | 119.1° | 120.0° |
| CAI | CAK | CAM | H14 | 93.2° | 60.0° |
| CAI | CAK | CAM | H15 | 26.3° | 60.0° |
| CAF | CAD | CAC | H7 | 179.4° | 5.2° |
| CAD | CAF | CAI | H10 | 73.2° | 114.5° |
| CAD | CAF | CAI | H11 | 46.5° | 5.5° |
| CAO | CAM | CAK | H14 | 120.3° | 120.0° |
| CAO | CAM | CAK | H15 | 120.3° | 120.0° |
| CAO | CAM | CAK | H12 | 93.1° | 60.0° |
| CAO | CAM | CAK | H13 | 26.2° | 60.0° |
| CAO | CAM | H14 | H15 | 119.2° | 120.1° |
| CAM | CAO | H16 | H17 | 119.0° | 120.1° |
| CAM | CAO | CAQ | H18 | 90.1° | 60.1° |
| CAM | CAO | CAQ | H19 | 29.4° | 59.9° |
| CAM | CAK | CAI | H10 | 132.9° | 60.0° |
| CAM | CAK | CAI | H11 | 13.2° | 60.1° |
| CAM | CAK | H12 | H13 | 119.1° | 119.9° |
| CAK | CAM | H14 | H15 | 119.2° | 119.9° |
| CAK | CAM | CAO | H16 | 14.2° | 60.1° |
| CAK | CAM | CAO | H17 | 133.6° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAG | H4 | 59.9° | 60.0° |
| H1 | CAA | CAG | H5 | 59.8° | 60.0° |
| H2 | CAA | CAG | H4 | 60.2° | 60.0° |
| H2 | CAA | CAG | H5 | 179.9° | 180.0° |
| H3 | CAA | CAG | H4 | 179.9° | 180.0° |
| H3 | CAA | CAG | H5 | 60.2° | 60.0° |
| H4 | CAG | CAE | H6 | 143.9° | 179.0° |
| H5 | CAG | CAE | H6 | 96.3° | 61.0° |
| H6 | CAE | CAC | H7 | 0.7° | 6.1° |
| H7 | CAC | CAD | H8 | 0.6° | 174.8° |
| H8 | CAD | CAF | H9 | 0.4° | 5.0° |
| H9 | CAF | CAI | H10 | 106.8° | 65.5° |
| H9 | CAF | CAI | H11 | 133.5° | 174.5° |
| H10 | CAI | CAK | H12 | 106.8° | 180.0° |
| H10 | CAI | CAK | H13 | 12.5° | 60.0° |
| H11 | CAI | CAK | H12 | 133.5° | 60.0° |
| H11 | CAI | CAK | H13 | 107.2° | 180.0° |
| H12 | CAK | CAM | H14 | 27.1° | 180.0° |
| H12 | CAK | CAM | H15 | 146.6° | 60.1° |
| H13 | CAK | CAM | H14 | 146.5° | 60.0° |
| H13 | CAK | CAM | H15 | 94.0° | 180.0° |
| H14 | CAM | CAO | H16 | 106.1° | 180.0° |
| H14 | CAM | CAO | H17 | 13.3° | 60.0° |
| H15 | CAM | CAO | H16 | 134.5° | 59.9° |
| H15 | CAM | CAO | H17 | 106.2° | 180.0° |
| H16 | CAO | CAQ | H18 | 149.6° | 180.0° |
| H16 | CAO | CAQ | H19 | 90.9° | 60.0° |
| H17 | CAO | CAQ | H18 | 30.2° | 60.0° |
| H17 | CAO | CAQ | H19 | 149.7° | 180.0° |
| H18 | CAQ | CAP | H20 | 159.8° | 180.0° |
| H18 | CAQ | CAP | H21 | 80.8° | 60.1° |
| H19 | CAQ | CAP | H20 | 40.3° | 60.1° |
| H19 | CAQ | CAP | H21 | 159.7° | 180.0° |
| H20 | CAP | CAN | H22 | 148.0° | 179.9° |
| H20 | CAP | CAN | H23 | 28.5° | 60.0° |
| H21 | CAP | CAN | H22 | 92.6° | 60.1° |
| H21 | CAP | CAN | H23 | 148.0° | 180.0° |
| H22 | CAN | CAL | H24 | 37.1° | 180.0° |
| H22 | CAN | CAL | H25 | 82.4° | 60.0° |
| H23 | CAN | CAL | H24 | 82.4° | 60.0° |
| H23 | CAN | CAL | H25 | 158.1° | 180.0° |
| H24 | CAL | CAJ | H26 | 171.9° | NaN° |
| H24 | CAL | CAJ | H27 | 68.6° | 60.0° |
| H25 | CAL | CAJ | H26 | 52.5° | 60.0° |
| H25 | CAL | CAJ | H27 | 171.9° | 180.0° |
| H26 | CAJ | CAH | H28 | 28.3° | 175.0° |
| H27 | CAJ | CAH | H28 | 147.8° | 65.0° |
