5TT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAH | CAF | sing | 1.53Å | 1.53Å | |
CAH | CAJ | sing | 1.53Å | 1.53Å | |
CAF | CAG | sing | 1.53Å | 1.54Å | |
CAJ | NAO | sing | 1.47Å | 1.48Å | |
CAG | CAI | sing | 1.53Å | 1.53Å | |
NAO | CAI | sing | 1.47Å | 1.47Å | |
NAO | CAN | sing | 1.40Å | 1.39Å | |
CAD | CAN | doub | 1.39Å | 1.39Å | Aromatic |
CAD | CAB | sing | 1.38Å | 1.39Å | Aromatic |
CAN | CAE | sing | 1.39Å | 1.39Å | Aromatic |
CAB | CAM | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAC | doub | 1.38Å | 1.39Å | Aromatic |
CAM | CAC | sing | 1.38Å | 1.39Å | Aromatic |
CAM | CAK | sing | 1.51Å | 1.53Å | |
CAK | NAL | sing | 1.47Å | 1.47Å | |
NAL | CAA | sing | 1.47Å | 1.47Å | |
CAI | H1 | sing | 1.09Å | 1.10Å | |
CAI | H2 | sing | 1.09Å | 1.10Å | |
CAG | H3 | sing | 1.09Å | 1.10Å | |
CAG | H4 | sing | 1.09Å | 1.10Å | |
CAF | H5 | sing | 1.09Å | 1.10Å | |
CAF | H6 | sing | 1.09Å | 1.10Å | |
CAH | H7 | sing | 1.09Å | 1.10Å | |
CAH | H8 | sing | 1.09Å | 1.10Å | |
CAJ | H9 | sing | 1.09Å | 1.10Å | |
CAJ | H10 | sing | 1.09Å | 1.10Å | |
CAE | H11 | sing | 1.08Å | 1.08Å | |
CAC | H12 | sing | 1.08Å | 1.08Å | |
CAD | H13 | sing | 1.08Å | 1.08Å | |
CAB | H14 | sing | 1.08Å | 1.08Å | |
CAK | H15 | sing | 1.09Å | 1.10Å | |
CAK | H16 | sing | 1.09Å | 1.10Å | |
NAL | H17 | sing | 1.01Å | 1.00Å | |
CAA | H19 | sing | 1.09Å | 1.10Å | |
CAA | H20 | sing | 1.09Å | 1.10Å | |
CAA | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAF | CAH | CAJ | 110.7° | 109.3° |
CAH | CAF | CAG | 106.0° | 109.1° |
CAH | CAF | H5 | 110.3° | 109.5° |
CAH | CAF | H6 | 110.3° | 109.6° |
CAF | CAH | H7 | 109.1° | 109.5° |
CAF | CAH | H8 | 109.2° | 109.5° |
CAH | CAJ | NAO | 109.3° | 109.5° |
CAJ | CAH | H7 | 109.2° | 109.5° |
CAJ | CAH | H8 | 109.1° | 109.5° |
CAH | CAJ | H9 | 109.5° | 109.4° |
CAH | CAJ | H10 | 109.5° | 109.4° |
CAF | CAG | CAI | 110.4° | 109.3° |
CAF | CAG | H3 | 109.2° | 109.5° |
CAF | CAG | H4 | 109.3° | 109.6° |
CAG | CAF | H5 | 110.3° | 109.5° |
CAG | CAF | H6 | 110.3° | 109.5° |
CAJ | NAO | CAI | 112.4° | 111.2° |
CAJ | NAO | CAN | 120.0° | 111.0° |
NAO | CAJ | H9 | 109.5° | 109.5° |
NAO | CAJ | H10 | 109.5° | 109.5° |
CAG | CAI | NAO | 109.2° | 109.5° |
CAG | CAI | H1 | 109.5° | 109.4° |
CAG | CAI | H2 | 109.6° | 109.5° |
CAI | CAG | H3 | 109.2° | 109.5° |
CAI | CAG | H4 | 109.2° | 109.5° |
CAI | NAO | CAN | 122.7° | 111.0° |
NAO | CAI | H1 | 109.5° | 109.4° |
NAO | CAI | H2 | 109.5° | 109.5° |
NAO | CAN | CAD | 121.1° | 120.1° |
NAO | CAN | CAE | 119.0° | 120.1° |
CAN | CAD | CAB | 120.5° | 120.0° |
CAD | CAN | CAE | 119.6° | 119.8° |
CAN | CAD | H13 | 119.7° | 120.0° |
CAD | CAB | CAM | 120.3° | 120.1° |
CAB | CAD | H13 | 119.7° | 120.1° |
CAD | CAB | H14 | 119.8° | 120.0° |
CAN | CAE | CAC | 119.2° | 119.9° |
CAN | CAE | H11 | 120.4° | 120.0° |
CAB | CAM | CAC | 118.7° | 120.1° |
CAB | CAM | CAK | 118.2° | 119.9° |
CAM | CAB | H14 | 119.9° | 119.9° |
CAE | CAC | CAM | 121.5° | 120.1° |
CAC | CAE | H11 | 120.4° | 120.1° |
CAE | CAC | H12 | 119.3° | 120.0° |
CAC | CAM | CAK | 123.2° | 120.0° |
CAM | CAC | H12 | 119.2° | 119.9° |
CAM | CAK | NAL | 112.9° | 109.4° |
CAM | CAK | H15 | 108.6° | 109.4° |
CAM | CAK | H16 | 108.6° | 109.5° |
CAK | NAL | CAA | 106.0° | 111.0° |
NAL | CAK | H15 | 108.6° | 109.4° |
NAL | CAK | H16 | 108.6° | 109.5° |
CAK | NAL | H17 | 110.3° | 111.0° |
CAA | NAL | H17 | 110.3° | 111.0° |
NAL | CAA | H19 | 109.5° | 109.5° |
NAL | CAA | H20 | 109.5° | 109.5° |
NAL | CAA | H21 | 109.5° | 109.4° |
H1 | CAI | H2 | 109.5° | 109.5° |
H3 | CAG | H4 | 109.5° | 109.5° |
H5 | CAF | H6 | 109.4° | 109.6° |
H7 | CAH | H8 | 109.5° | 109.5° |
H9 | CAJ | H10 | 109.5° | 109.5° |
H15 | CAK | H16 | 109.5° | 109.5° |
H19 | CAA | H20 | 109.5° | 109.5° |
H19 | CAA | H21 | 109.4° | 109.5° |
H20 | CAA | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAF | CAH | CAJ | H7 | 120.2° | 119.9° |
CAF | CAH | CAJ | H8 | 120.2° | 120.0° |
CAH | CAF | CAG | H5 | 119.5° | 119.9° |
CAH | CAF | CAG | H6 | 119.5° | 120.0° |
CAF | CAH | CAJ | NAO | 59.7° | 59.2° |
CAH | CAF | CAG | CAI | 60.3° | 57.7° |
CAH | CAF | CAG | H3 | 59.8° | 177.6° |
CAH | CAF | CAG | H4 | 179.6° | 62.3° |
CAH | CAF | H5 | H6 | 121.6° | 120.3° |
CAF | CAH | H7 | H8 | 119.4° | 120.1° |
CAF | CAH | CAJ | H9 | 60.3° | 60.8° |
CAF | CAH | CAJ | H10 | 179.7° | 179.2° |
CAJ | CAH | CAF | CAG | 60.3° | 57.7° |
CAH | CAJ | NAO | H9 | 120.0° | 120.0° |
CAH | CAJ | NAO | H10 | 120.0° | 120.0° |
CAH | CAJ | NAO | CAI | 58.2° | 61.7° |
CAH | CAJ | NAO | CAN | 146.0° | 174.2° |
CAJ | CAH | CAF | H5 | 179.8° | 62.2° |
CAJ | CAH | CAF | H6 | 59.2° | 177.6° |
CAJ | CAH | H7 | H8 | 119.4° | 120.0° |
CAH | CAJ | H9 | H10 | 120.0° | 120.0° |
CAF | CAG | CAI | H3 | 120.1° | 119.9° |
CAF | CAG | CAI | H4 | 120.2° | 120.0° |
CAF | CAG | CAI | NAO | 59.8° | 59.2° |
CAF | CAG | CAI | H1 | 179.7° | 179.2° |
CAF | CAG | CAI | H2 | 60.2° | 60.8° |
CAF | CAG | H3 | H4 | 119.6° | 120.2° |
CAG | CAF | H5 | H6 | 121.6° | 120.1° |
CAG | CAF | CAH | H7 | 179.5° | 177.6° |
CAG | CAF | CAH | H8 | 59.9° | 62.3° |
CAJ | NAO | CAI | CAG | 58.4° | 61.8° |
CAJ | NAO | CAI | CAN | 155.0° | 124.1° |
CAJ | NAO | CAN | CAD | 26.9° | 0.3° |
CAJ | NAO | CAN | CAE | 145.9° | 180.0° |
CAJ | NAO | CAI | H1 | 178.3° | 178.3° |
CAJ | NAO | CAI | H2 | 61.6° | 58.3° |
NAO | CAJ | CAH | H7 | 179.9° | 179.2° |
NAO | CAJ | CAH | H8 | 60.4° | 60.8° |
NAO | CAJ | H9 | H10 | 120.1° | 120.0° |
CAG | CAI | NAO | H1 | 119.9° | 120.0° |
CAG | CAI | NAO | H2 | 120.0° | 120.0° |
CAG | CAI | NAO | CAN | 146.6° | 174.1° |
CAG | CAI | H1 | H2 | 120.1° | 120.0° |
CAI | CAG | H3 | H4 | 119.6° | 120.1° |
CAI | CAG | CAF | H5 | 179.8° | 62.2° |
CAI | CAG | CAF | H6 | 59.2° | 177.6° |
CAI | NAO | CAN | CAD | 179.9° | 123.9° |
CAI | NAO | CAN | CAE | 7.3° | 55.8° |
NAO | CAI | H1 | H2 | 120.1° | 120.0° |
NAO | CAI | CAG | H3 | 60.4° | 179.1° |
NAO | CAI | CAG | H4 | 179.9° | 60.8° |
CAI | NAO | CAJ | H9 | 61.8° | 58.2° |
CAI | NAO | CAJ | H10 | 178.2° | 178.3° |
NAO | CAN | CAD | CAE | 172.8° | 179.7° |
NAO | CAN | CAD | CAB | 178.9° | 180.0° |
NAO | CAN | CAE | CAC | 176.3° | 180.0° |
CAN | NAO | CAI | H1 | 26.7° | 54.1° |
CAN | NAO | CAI | H2 | 93.4° | 65.8° |
CAN | NAO | CAJ | H9 | 94.0° | 65.9° |
CAN | NAO | CAJ | H10 | 26.1° | 54.2° |
NAO | CAN | CAE | H11 | 3.8° | 0.0° |
NAO | CAN | CAD | H13 | 1.1° | 0.1° |
CAN | CAD | CAB | H13 | 180.0° | 180.0° |
CAN | CAD | CAB | CAM | 4.3° | 0.0° |
CAD | CAN | CAE | CAC | 3.3° | 0.3° |
CAD | CAN | CAE | H11 | 176.7° | 179.7° |
CAN | CAD | CAB | H14 | 175.7° | 180.0° |
CAB | CAD | CAN | CAE | 6.0° | 0.3° |
CAD | CAB | CAM | H14 | 180.0° | 179.9° |
CAD | CAB | CAM | CAC | 0.1° | 0.4° |
CAD | CAB | CAM | CAK | 178.3° | 180.0° |
CAN | CAE | CAC | H11 | 180.0° | 180.0° |
CAN | CAE | CAC | CAM | 1.2° | 0.0° |
CAN | CAE | CAC | H12 | 178.8° | 180.0° |
CAE | CAN | CAD | H13 | 173.9° | 179.7° |
CAB | CAM | CAC | CAE | 2.9° | 0.4° |
CAB | CAM | CAC | CAK | 178.1° | 179.6° |
CAB | CAM | CAK | NAL | 164.7° | 90.1° |
CAB | CAM | CAC | H12 | 177.1° | 179.7° |
CAM | CAB | CAD | H13 | 175.6° | 179.9° |
CAB | CAM | CAK | H15 | 74.8° | 150.0° |
CAB | CAM | CAK | H16 | 44.2° | 30.0° |
CAE | CAC | CAM | H12 | 180.0° | 179.9° |
CAE | CAC | CAM | CAK | 179.0° | 180.0° |
CAC | CAM | CAK | NAL | 17.2° | 90.3° |
CAM | CAC | CAE | H11 | 178.8° | 180.0° |
CAC | CAM | CAB | H14 | 179.9° | 179.7° |
CAC | CAM | CAK | H15 | 103.3° | 29.6° |
CAC | CAM | CAK | H16 | 137.7° | 149.6° |
CAM | CAK | NAL | H15 | 120.5° | 119.9° |
CAM | CAK | NAL | H16 | 120.5° | 120.0° |
CAM | CAK | NAL | CAA | 178.3° | 180.0° |
CAK | CAM | CAC | H12 | 1.0° | 0.1° |
CAK | CAM | CAB | H14 | 1.7° | 0.1° |
CAM | CAK | H15 | H16 | 118.5° | 120.0° |
CAM | CAK | NAL | H17 | 58.8° | 56.1° |
CAK | NAL | CAA | H17 | 119.5° | 123.9° |
NAL | CAK | H15 | H16 | 118.4° | 120.1° |
CAK | NAL | CAA | H19 | 180.0° | 60.1° |
CAK | NAL | CAA | H20 | 60.0° | 60.0° |
CAK | NAL | CAA | H21 | 60.0° | 179.9° |
CAA | NAL | CAK | H15 | 61.2° | 60.1° |
CAA | NAL | CAK | H16 | 57.8° | 60.0° |
NAL | CAA | H19 | H20 | 120.0° | 120.0° |
NAL | CAA | H19 | H21 | 120.0° | 120.0° |
NAL | CAA | H20 | H21 | 120.0° | 119.9° |
H1 | CAI | CAG | H3 | 59.6° | 60.9° |
H1 | CAI | CAG | H4 | 60.1° | 59.2° |
H2 | CAI | CAG | H3 | 179.7° | 59.1° |
H2 | CAI | CAG | H4 | 60.0° | 179.1° |
H3 | CAG | CAF | H5 | 59.7° | 57.7° |
H3 | CAG | CAF | H6 | 179.3° | 62.5° |
H4 | CAG | CAF | H5 | 60.1° | 177.8° |
H4 | CAG | CAF | H6 | 61.0° | 57.6° |
H5 | CAF | CAH | H7 | 60.0° | 57.7° |
H5 | CAF | CAH | H8 | 59.6° | 177.9° |
H6 | CAF | CAH | H7 | 61.0° | 62.5° |
H6 | CAF | CAH | H8 | 179.3° | 57.6° |
H7 | CAH | CAJ | H9 | 59.9° | 59.2° |
H7 | CAH | CAJ | H10 | 60.1° | 60.8° |
H8 | CAH | CAJ | H9 | 179.6° | 179.2° |
H8 | CAH | CAJ | H10 | 59.5° | 59.2° |
H11 | CAE | CAC | H12 | 1.2° | 0.0° |
H13 | CAD | CAB | H14 | 4.3° | 0.0° |
H15 | CAK | NAL | H17 | 179.3° | 176.0° |
H16 | CAK | NAL | H17 | 61.7° | 63.9° |
H17 | NAL | CAA | H19 | 60.5° | 176.0° |
H17 | NAL | CAA | H20 | 179.5° | 63.9° |
H17 | NAL | CAA | H21 | 59.5° | 56.0° |
H19 | CAA | H20 | H21 | 119.9° | 120.0° |