FT5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAO | sing | 1.43Å | 1.39Å | |
CAO | CAP | sing | 1.53Å | 1.52Å | |
CAO | CAM | sing | 1.53Å | 1.52Å | |
CAP | OAF | sing | 1.43Å | 1.48Å | |
CAP | CAJ | sing | 1.53Å | 1.52Å | |
OAD | CAM | sing | 1.43Å | 1.44Å | |
CAM | CAI | sing | 1.53Å | 1.52Å | |
CAJ | CAN | sing | 1.53Å | 1.47Å | |
CAI | CAN | sing | 1.53Å | 1.51Å | |
CAN | CAL | sing | 1.51Å | 1.54Å | |
CAL | OAC | doub | 1.21Å | 1.25Å | |
CAL | OAB | sing | 1.34Å | 1.28Å | |
OAF | H1 | sing | 0.97Å | 0.95Å | |
CAJ | H2 | sing | 1.09Å | 1.10Å | |
CAJ | H3 | sing | 1.09Å | 1.10Å | |
CAN | H4 | sing | 1.09Å | 1.10Å | |
OAB | H5 | sing | 0.97Å | 0.95Å | |
CAI | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.09Å | 1.10Å | |
OAD | H9 | sing | 0.97Å | 0.95Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
OAE | H11 | sing | 0.97Å | 0.95Å | |
CAP | H12 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAO | CAP | 106.8° | 109.5° |
OAE | CAO | CAM | 111.8° | 109.5° |
OAE | CAO | H10 | 112.2° | 109.5° |
CAO | OAE | H11 | 109.5° | 114.0° |
CAP | CAO | CAM | 105.4° | 109.5° |
CAO | CAP | OAF | 109.3° | 109.4° |
CAO | CAP | CAJ | 115.5° | 109.5° |
CAP | CAO | H10 | 110.2° | 109.5° |
CAO | CAP | H12 | 105.7° | 109.5° |
CAO | CAM | OAD | 109.4° | 109.4° |
CAO | CAM | CAI | 108.5° | 109.5° |
CAO | CAM | H8 | 109.0° | 109.5° |
CAM | CAO | H10 | 110.2° | 109.5° |
OAF | CAP | CAJ | 113.5° | 109.5° |
CAP | OAF | H1 | 109.5° | 113.9° |
OAF | CAP | H12 | 106.2° | 109.5° |
CAP | CAJ | CAN | 108.7° | 109.5° |
CAP | CAJ | H2 | 109.6° | 109.4° |
CAP | CAJ | H3 | 109.7° | 109.5° |
CAJ | CAP | H12 | 105.7° | 109.5° |
OAD | CAM | CAI | 110.7° | 109.5° |
OAD | CAM | H8 | 110.2° | 109.5° |
CAM | OAD | H9 | 109.5° | 113.9° |
CAM | CAI | CAN | 110.4° | 109.4° |
CAM | CAI | H6 | 109.3° | 109.5° |
CAM | CAI | H7 | 109.2° | 109.5° |
CAI | CAM | H8 | 109.0° | 109.5° |
CAJ | CAN | CAI | 109.8° | 109.5° |
CAJ | CAN | CAL | 107.5° | 109.5° |
CAN | CAJ | H2 | 109.7° | 109.5° |
CAN | CAJ | H3 | 109.7° | 109.5° |
CAJ | CAN | H4 | 108.6° | 109.5° |
CAI | CAN | CAL | 114.9° | 109.4° |
CAI | CAN | H4 | 108.1° | 109.4° |
CAN | CAI | H6 | 109.2° | 109.5° |
CAN | CAI | H7 | 109.2° | 109.4° |
CAN | CAL | OAC | 117.6° | 120.0° |
CAN | CAL | OAB | 118.0° | 120.0° |
CAL | CAN | H4 | 107.7° | 109.5° |
OAC | CAL | OAB | 124.4° | 120.0° |
CAL | OAB | H5 | 109.5° | 117.0° |
H2 | CAJ | H3 | 109.5° | 109.4° |
H6 | CAI | H7 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAO | CAP | CAM | 119.0° | 120.0° |
OAE | CAO | CAP | H10 | 122.1° | 120.0° |
OAE | CAO | CAM | H10 | 125.5° | 120.0° |
OAE | CAO | CAP | OAF | 47.5° | 60.0° |
OAE | CAO | CAP | CAJ | 177.0° | 180.0° |
OAE | CAO | CAM | OAD | 64.1° | 60.0° |
OAE | CAO | CAM | CAI | 175.1° | 180.0° |
OAE | CAO | CAM | H8 | 56.5° | 60.0° |
OAE | CAO | CAP | H12 | 66.5° | 60.0° |
CAP | CAO | CAM | H10 | 118.9° | 120.0° |
CAO | CAP | OAF | CAJ | 130.6° | 120.0° |
CAO | CAP | OAF | H12 | 113.6° | 120.0° |
CAO | CAP | CAJ | H12 | 116.5° | 120.0° |
CAP | CAO | CAM | OAD | 179.7° | 180.0° |
CAP | CAO | CAM | CAI | 59.4° | 60.0° |
CAO | CAP | CAJ | CAN | 56.6° | 60.0° |
CAO | CAP | OAF | H1 | 180.0° | 179.9° |
CAO | CAP | CAJ | H2 | 176.4° | 180.0° |
CAO | CAP | CAJ | H3 | 63.3° | 60.0° |
CAP | CAO | CAM | H8 | 59.2° | 60.0° |
CAP | CAO | OAE | H11 | 180.0° | 180.0° |
CAM | CAO | CAP | OAF | 71.5° | 60.0° |
CAM | CAO | CAP | CAJ | 58.0° | 60.0° |
CAO | CAM | OAD | CAI | 119.5° | 120.0° |
CAO | CAM | OAD | H8 | 119.8° | 120.0° |
CAO | CAM | CAI | H8 | 118.6° | 120.0° |
CAO | CAM | CAI | CAN | 64.6° | 60.0° |
CAO | CAM | CAI | H6 | 55.6° | 180.0° |
CAO | CAM | CAI | H7 | 175.3° | 60.0° |
CAO | CAM | OAD | H9 | 180.0° | 180.0° |
CAM | CAO | OAE | H11 | 65.2° | 60.0° |
CAM | CAO | CAP | H12 | 174.6° | 180.0° |
OAF | CAP | CAJ | H12 | 116.0° | 120.0° |
OAF | CAP | CAJ | CAN | 70.9° | 59.9° |
OAF | CAP | CAJ | H2 | 49.0° | 60.0° |
OAF | CAP | CAJ | H3 | 169.2° | 180.0° |
OAF | CAP | CAO | H10 | 169.6° | 180.0° |
CAP | CAJ | CAN | H2 | 119.8° | 120.0° |
CAP | CAJ | CAN | H3 | 119.9° | 120.0° |
CAP | CAJ | CAN | CAI | 55.2° | 60.0° |
CAP | CAJ | CAN | CAL | 179.2° | 180.0° |
CAJ | CAP | OAF | H1 | 49.4° | 60.1° |
CAP | CAJ | H2 | H3 | 120.4° | 120.0° |
CAP | CAJ | CAN | H4 | 62.9° | 60.0° |
CAJ | CAP | CAO | H10 | 60.9° | 60.0° |
OAD | CAM | CAI | H8 | 121.4° | 120.0° |
OAD | CAM | CAI | CAN | 175.4° | 179.9° |
OAD | CAM | CAI | H6 | 64.5° | 60.0° |
OAD | CAM | CAI | H7 | 55.2° | 60.0° |
OAD | CAM | CAO | H10 | 61.4° | 60.0° |
CAM | CAI | CAN | CAJ | 62.0° | 60.0° |
CAM | CAI | CAN | H6 | 120.2° | 120.0° |
CAM | CAI | CAN | H7 | 120.1° | 119.9° |
CAM | CAI | CAN | CAL | 176.7° | 180.0° |
CAM | CAI | CAN | H4 | 56.4° | 60.1° |
CAM | CAI | H6 | H7 | 119.6° | 120.0° |
CAI | CAM | OAD | H9 | 60.5° | 60.0° |
CAI | CAM | CAO | H10 | 59.4° | 60.0° |
CAJ | CAN | CAI | CAL | 121.3° | 120.0° |
CAJ | CAN | CAI | H4 | 118.4° | 120.1° |
CAJ | CAN | CAL | H4 | 116.9° | 120.1° |
CAJ | CAN | CAL | OAC | 90.8° | 0.0° |
CAJ | CAN | CAL | OAB | 88.1° | 180.0° |
CAN | CAJ | H2 | H3 | 120.4° | 120.0° |
CAJ | CAN | CAI | H6 | 58.2° | 180.0° |
CAJ | CAN | CAI | H7 | 177.9° | 59.9° |
CAN | CAJ | CAP | H12 | 173.1° | 179.9° |
CAI | CAN | CAL | H4 | 120.5° | 119.9° |
CAI | CAN | CAL | OAC | 31.7° | 120.0° |
CAI | CAN | CAL | OAB | 149.3° | 60.0° |
CAI | CAN | CAJ | H2 | 175.0° | 180.0° |
CAI | CAN | CAJ | H3 | 64.7° | 60.0° |
CAN | CAI | H6 | H7 | 119.6° | 120.0° |
CAN | CAI | CAM | H8 | 54.0° | 60.0° |
CAN | CAL | OAC | OAB | 178.9° | 180.0° |
CAL | CAN | CAJ | H2 | 59.4° | 60.0° |
CAL | CAN | CAJ | H3 | 60.9° | 60.0° |
CAN | CAL | OAB | H5 | 178.9° | 180.0° |
CAL | CAN | CAI | H6 | 63.1° | 60.0° |
CAL | CAN | CAI | H7 | 56.6° | 60.1° |
OAC | CAL | CAN | H4 | 152.3° | 120.1° |
OAC | CAL | OAB | H5 | 0.0° | 0.0° |
OAB | CAL | CAN | H4 | 28.8° | 59.9° |
H1 | OAF | CAP | H12 | 66.4° | 59.9° |
H2 | CAJ | CAN | H4 | 56.9° | 60.0° |
H2 | CAJ | CAP | H12 | 67.1° | 60.0° |
H3 | CAJ | CAN | H4 | 177.2° | 180.0° |
H3 | CAJ | CAP | H12 | 53.2° | 60.0° |
H4 | CAN | CAI | H6 | 176.6° | 60.0° |
H4 | CAN | CAI | H7 | 63.7° | 180.0° |
H6 | CAI | CAM | H8 | 174.2° | 60.0° |
H7 | CAI | CAM | H8 | 66.1° | 179.9° |
H8 | CAM | OAD | H9 | 60.2° | 60.0° |
H8 | CAM | CAO | H10 | 178.0° | 180.0° |
H10 | CAO | OAE | H11 | 59.2° | 60.0° |
H10 | CAO | CAP | H12 | 55.6° | 60.0° |