68F
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAH | CAB | sing | 1.43Å | 1.45Å | |
OAG | CAC | sing | 1.43Å | 1.45Å | |
CAB | CAC | sing | 1.55Å | 1.54Å | |
CAB | CAA | sing | 1.55Å | 1.55Å | |
CAC | CAD | sing | 1.54Å | 1.57Å | |
CAD | NAE | sing | 1.48Å | 1.48Å | |
CAD | CAF | sing | 1.53Å | 1.55Å | |
CAI | CAA | sing | 1.53Å | 1.53Å | |
NAE | CAA | sing | 1.49Å | 1.48Å | |
CAF | CAJ | sing | 1.53Å | 1.53Å | |
CAJ | CAK | sing | 1.53Å | 1.56Å | |
CAK | CAL | sing | 1.53Å | 1.56Å | |
CAN | OAT | sing | 1.43Å | 1.45Å | |
CAN | CAO | sing | 1.55Å | 1.49Å | |
CAN | CAM | sing | 1.55Å | 1.57Å | |
CAL | CAM | sing | 1.53Å | 1.55Å | |
CAO | CAP | sing | 1.54Å | 1.54Å | |
CAO | OAS | sing | 1.43Å | 1.45Å | |
CAM | NAQ | sing | 1.48Å | 1.47Å | |
CAP | NAQ | sing | 1.47Å | 1.48Å | |
CAP | CAR | sing | 1.53Å | 1.55Å | |
OAG | H1 | sing | 0.97Å | 0.95Å | |
CAC | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
OAH | H4 | sing | 0.97Å | 0.95Å | |
CAA | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.09Å | 1.10Å | |
NAE | H9 | sing | 1.01Å | 1.00Å | |
CAD | H11 | sing | 1.09Å | 1.10Å | |
CAF | H12 | sing | 1.09Å | 1.10Å | |
CAF | H13 | sing | 1.09Å | 1.10Å | |
CAJ | H14 | sing | 1.09Å | 1.10Å | |
CAJ | H15 | sing | 1.09Å | 1.10Å | |
CAK | H16 | sing | 1.09Å | 1.10Å | |
CAK | H17 | sing | 1.09Å | 1.10Å | |
CAL | H18 | sing | 1.09Å | 1.10Å | |
CAL | H19 | sing | 1.09Å | 1.10Å | |
CAM | H20 | sing | 1.09Å | 1.10Å | |
NAQ | H21 | sing | 1.01Å | 1.00Å | |
CAP | H23 | sing | 1.09Å | 1.10Å | |
CAR | H24 | sing | 1.09Å | 1.10Å | |
CAR | H25 | sing | 1.09Å | 1.10Å | |
CAR | H26 | sing | 1.09Å | 1.10Å | |
CAO | H27 | sing | 1.09Å | 1.10Å | |
OAS | H28 | sing | 0.97Å | 0.95Å | |
CAN | H29 | sing | 1.09Å | 1.10Å | |
OAT | H30 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAB | CAC | 111.5° | 110.7° |
OAH | CAB | CAA | 112.5° | 110.7° |
OAH | CAB | H3 | 112.3° | 110.8° |
CAB | OAH | H4 | 109.5° | 114.0° |
OAG | CAC | CAB | 116.5° | 110.3° |
OAG | CAC | CAD | 108.0° | 110.3° |
CAC | OAG | H1 | 109.5° | 114.0° |
OAG | CAC | H2 | 111.1° | 110.3° |
CAC | CAB | CAA | 98.1° | 102.9° |
CAB | CAC | CAD | 101.3° | 105.1° |
CAB | CAC | H2 | 109.8° | 110.4° |
CAC | CAB | H3 | 110.9° | 110.7° |
CAB | CAA | CAI | 112.4° | 110.7° |
CAB | CAA | NAE | 102.3° | 103.2° |
CAA | CAB | H3 | 110.7° | 110.7° |
CAB | CAA | H5 | 109.1° | 110.7° |
CAC | CAD | NAE | 104.9° | 107.0° |
CAC | CAD | CAF | 105.9° | 109.9° |
CAD | CAC | H2 | 109.4° | 110.3° |
CAC | CAD | H11 | 110.9° | 109.9° |
NAE | CAD | CAF | 111.3° | 109.9° |
CAD | NAE | CAA | 107.5° | 105.8° |
CAD | NAE | H9 | 110.0° | 111.0° |
NAE | CAD | H11 | 112.3° | 109.9° |
CAD | CAF | CAJ | 109.1° | 109.5° |
CAF | CAD | H11 | 111.2° | 110.1° |
CAD | CAF | H12 | 109.6° | 109.4° |
CAD | CAF | H13 | 109.6° | 109.4° |
CAI | CAA | NAE | 113.3° | 110.8° |
CAI | CAA | H5 | 109.4° | 110.6° |
CAA | CAI | H6 | 109.5° | 109.4° |
CAA | CAI | H7 | 109.5° | 109.5° |
CAA | CAI | H8 | 109.5° | 109.5° |
NAE | CAA | H5 | 110.1° | 110.7° |
CAA | NAE | H9 | 110.0° | 111.0° |
CAF | CAJ | CAK | 111.2° | 109.5° |
CAJ | CAF | H12 | 109.6° | 109.5° |
CAJ | CAF | H13 | 109.6° | 109.5° |
CAF | CAJ | H14 | 109.1° | 109.5° |
CAF | CAJ | H15 | 109.1° | 109.4° |
CAJ | CAK | CAL | 110.1° | 109.5° |
CAK | CAJ | H14 | 109.0° | 109.5° |
CAK | CAJ | H15 | 109.0° | 109.5° |
CAJ | CAK | H16 | 109.3° | 109.5° |
CAJ | CAK | H17 | 109.3° | 109.5° |
CAK | CAL | CAM | 110.7° | 109.5° |
CAL | CAK | H16 | 109.3° | 109.4° |
CAL | CAK | H17 | 109.3° | 109.4° |
CAK | CAL | H18 | 109.1° | 109.4° |
CAK | CAL | H19 | 109.2° | 109.4° |
OAT | CAN | CAO | 107.0° | 111.0° |
OAT | CAN | CAM | 113.2° | 111.0° |
OAT | CAN | H29 | 111.3° | 110.8° |
CAN | OAT | H30 | 109.5° | 114.0° |
CAO | CAN | CAM | 104.9° | 101.7° |
CAN | CAO | CAP | 100.7° | 103.0° |
CAN | CAO | OAS | 107.4° | 110.7° |
CAN | CAO | H27 | 111.4° | 110.9° |
CAO | CAN | H29 | 110.6° | 111.0° |
CAN | CAM | CAL | 113.5° | 110.4° |
CAN | CAM | NAQ | 106.3° | 104.7° |
CAN | CAM | H20 | 108.1° | 110.5° |
CAM | CAN | H29 | 109.6° | 111.0° |
CAL | CAM | NAQ | 111.3° | 110.4° |
CAM | CAL | H18 | 109.2° | 109.5° |
CAM | CAL | H19 | 109.1° | 109.5° |
CAL | CAM | H20 | 108.3° | 110.4° |
CAP | CAO | OAS | 114.3° | 110.7° |
CAO | CAP | NAQ | 103.4° | 107.2° |
CAO | CAP | CAR | 112.4° | 109.9° |
CAO | CAP | H23 | 108.9° | 110.0° |
CAP | CAO | H27 | 110.6° | 110.7° |
OAS | CAO | H27 | 112.0° | 110.6° |
CAO | OAS | H28 | 109.5° | 114.0° |
CAM | NAQ | CAP | 103.9° | 108.6° |
NAQ | CAM | H20 | 109.3° | 110.3° |
CAM | NAQ | H21 | 110.8° | 111.0° |
NAQ | CAP | CAR | 113.4° | 109.9° |
CAP | NAQ | H21 | 110.9° | 111.0° |
NAQ | CAP | H23 | 109.8° | 109.9° |
CAR | CAP | H23 | 108.8° | 109.9° |
CAP | CAR | H24 | 109.5° | 109.5° |
CAP | CAR | H25 | 109.5° | 109.5° |
CAP | CAR | H26 | 109.5° | 109.5° |
H6 | CAI | H7 | 109.4° | 109.6° |
H6 | CAI | H8 | 109.5° | 109.5° |
H7 | CAI | H8 | 109.5° | 109.5° |
H12 | CAF | H13 | 109.5° | 109.5° |
H14 | CAJ | H15 | 109.5° | 109.5° |
H16 | CAK | H17 | 109.5° | 109.5° |
H18 | CAL | H19 | 109.5° | 109.5° |
H24 | CAR | H25 | 109.4° | 109.5° |
H24 | CAR | H26 | 109.5° | 109.4° |
H25 | CAR | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAB | CAC | OAG | 44.2° | 22.6° |
OAH | CAB | CAC | CAA | 118.2° | 118.3° |
OAH | CAB | CAC | H3 | 125.9° | 123.4° |
OAH | CAB | CAA | H3 | 126.6° | 123.3° |
OAH | CAB | CAC | CAD | 72.7° | 96.4° |
OAH | CAB | CAA | CAI | 53.4° | 37.7° |
OAH | CAB | CAA | NAE | 68.4° | 80.9° |
OAH | CAB | CAC | H2 | 171.6° | 144.7° |
OAH | CAB | CAA | H5 | 175.0° | 160.6° |
OAG | CAC | CAB | CAD | 116.9° | 118.9° |
OAG | CAC | CAB | H2 | 127.4° | 122.1° |
OAG | CAC | CAB | CAA | 162.4° | 140.9° |
OAG | CAC | CAD | H2 | 121.1° | 122.1° |
OAG | CAC | CAD | NAE | 149.8° | 117.7° |
OAG | CAC | CAD | CAF | 92.4° | 123.0° |
OAG | CAC | CAB | H3 | 81.7° | 100.8° |
OAG | CAC | CAD | H11 | 28.4° | 1.7° |
CAC | CAB | CAA | H3 | 116.0° | 118.3° |
CAB | CAC | CAD | H2 | 116.0° | 119.0° |
CAB | CAC | CAD | NAE | 26.8° | 1.2° |
CAB | CAC | CAD | CAF | 144.6° | 118.1° |
CAC | CAB | CAA | CAI | 170.9° | 156.0° |
CAC | CAB | CAA | NAE | 49.1° | 37.5° |
CAB | CAC | OAG | H1 | 180.0° | 64.3° |
CAC | CAB | OAH | H4 | 180.0° | 179.9° |
CAC | CAB | CAA | H5 | 67.5° | 81.0° |
CAB | CAC | CAD | H11 | 94.6° | 120.6° |
CAA | CAB | CAC | CAD | 45.5° | 22.0° |
CAB | CAA | NAE | CAD | 33.5° | 39.3° |
CAB | CAA | CAI | NAE | 115.3° | 113.9° |
CAB | CAA | CAI | H5 | 121.4° | 123.0° |
CAB | CAA | NAE | H5 | 115.9° | 118.4° |
CAA | CAB | CAC | H2 | 70.2° | 97.0° |
CAA | CAB | OAH | H4 | 70.9° | 66.6° |
CAB | CAA | CAI | H6 | 180.0° | 60.0° |
CAB | CAA | CAI | H7 | 60.0° | 179.9° |
CAB | CAA | CAI | H8 | 60.0° | 60.0° |
CAB | CAA | NAE | H9 | 153.2° | 159.7° |
CAC | CAD | NAE | CAF | 114.1° | 119.4° |
CAC | CAD | NAE | H11 | 120.6° | 119.3° |
CAC | CAD | CAF | H11 | 120.6° | 121.2° |
CAC | CAD | NAE | CAA | 4.1° | 25.4° |
CAC | CAD | CAF | CAJ | 165.4° | 175.0° |
CAD | CAC | OAG | H1 | 66.8° | 180.0° |
CAD | CAC | CAB | H3 | 161.4° | 140.3° |
CAC | CAD | NAE | H9 | 123.8° | 145.9° |
CAC | CAD | CAF | H12 | 74.6° | 65.0° |
CAC | CAD | CAF | H13 | 45.5° | 55.0° |
NAE | CAD | CAF | H11 | 125.9° | 121.2° |
CAD | NAE | CAA | CAI | 154.7° | 157.7° |
CAD | NAE | CAA | H9 | 119.7° | 120.5° |
NAE | CAD | CAF | CAJ | 81.1° | 67.4° |
NAE | CAD | CAC | H2 | 89.1° | 120.2° |
CAD | NAE | CAA | H5 | 82.4° | 79.2° |
NAE | CAD | CAF | H12 | 38.9° | 52.6° |
NAE | CAD | CAF | H13 | 159.0° | 172.6° |
CAF | CAD | NAE | CAA | 110.0° | 94.0° |
CAD | CAF | CAJ | H12 | 119.9° | 120.0° |
CAD | CAF | CAJ | H13 | 120.0° | 119.9° |
CAD | CAF | CAJ | CAK | 176.5° | 180.0° |
CAF | CAD | CAC | H2 | 28.7° | 0.9° |
CAF | CAD | NAE | H9 | 9.7° | 26.5° |
CAD | CAF | H12 | H13 | 120.2° | 119.9° |
CAD | CAF | CAJ | H14 | 56.2° | 60.0° |
CAD | CAF | CAJ | H15 | 63.3° | 60.0° |
CAI | CAA | NAE | H5 | 122.9° | 123.1° |
CAI | CAA | CAB | H3 | 73.1° | 85.6° |
CAA | CAI | H6 | H7 | 120.0° | 120.0° |
CAA | CAI | H6 | H8 | 120.0° | 120.0° |
CAA | CAI | H7 | H8 | 120.0° | 120.0° |
CAI | CAA | NAE | H9 | 85.5° | 81.8° |
NAE | CAA | CAB | H3 | 165.1° | 155.8° |
NAE | CAA | CAI | H6 | 64.7° | 173.8° |
NAE | CAA | CAI | H7 | 55.3° | 66.1° |
NAE | CAA | CAI | H8 | 175.3° | 53.9° |
CAA | NAE | CAD | H11 | 124.7° | 144.7° |
CAF | CAJ | CAK | H14 | 120.3° | 120.0° |
CAF | CAJ | CAK | H15 | 120.3° | 120.0° |
CAF | CAJ | CAK | CAL | 145.4° | 180.0° |
CAJ | CAF | CAD | H11 | 44.9° | 53.8° |
CAJ | CAF | H12 | H13 | 120.2° | 120.1° |
CAF | CAJ | H14 | H15 | 119.3° | 120.0° |
CAF | CAJ | CAK | H16 | 25.3° | 60.0° |
CAF | CAJ | CAK | H17 | 94.5° | 60.0° |
CAJ | CAK | CAL | H16 | 120.1° | 120.0° |
CAJ | CAK | CAL | H17 | 120.1° | 120.0° |
CAJ | CAK | CAL | CAM | 163.2° | 180.0° |
CAK | CAJ | CAF | H12 | 63.6° | 60.0° |
CAK | CAJ | CAF | H13 | 56.5° | 60.1° |
CAK | CAJ | H14 | H15 | 119.2° | 120.0° |
CAJ | CAK | H16 | H17 | 119.7° | 120.0° |
CAJ | CAK | CAL | H18 | 43.1° | 60.0° |
CAJ | CAK | CAL | H19 | 76.6° | 60.0° |
CAK | CAL | CAM | CAN | 73.3° | 178.2° |
CAK | CAL | CAM | H18 | 120.2° | 120.0° |
CAK | CAL | CAM | H19 | 120.2° | 120.0° |
CAK | CAL | CAM | NAQ | 166.8° | 66.5° |
CAL | CAK | CAJ | H14 | 94.4° | 60.0° |
CAL | CAK | CAJ | H15 | 25.1° | 60.0° |
CAL | CAK | H16 | H17 | 119.7° | 119.9° |
CAK | CAL | H18 | H19 | 119.4° | 119.9° |
CAK | CAL | CAM | H20 | 46.6° | 55.8° |
OAT | CAN | CAO | CAM | 120.5° | 118.1° |
OAT | CAN | CAO | H29 | 121.4° | 123.7° |
OAT | CAN | CAM | H29 | 124.8° | 123.8° |
OAT | CAN | CAM | CAL | 115.2° | 86.0° |
OAT | CAN | CAO | CAP | 150.6° | 153.8° |
OAT | CAN | CAO | OAS | 30.8° | 35.4° |
OAT | CAN | CAM | NAQ | 122.1° | 155.1° |
OAT | CAN | CAM | H20 | 4.9° | 36.3° |
OAT | CAN | CAO | H27 | 92.1° | 87.8° |
CAO | CAN | CAM | H29 | 118.8° | 118.1° |
CAO | CAN | CAM | CAL | 128.5° | 155.9° |
CAN | CAO | CAP | OAS | 114.7° | 118.4° |
CAN | CAO | CAP | H27 | 117.8° | 118.6° |
CAN | CAO | OAS | H27 | 122.6° | 123.3° |
CAO | CAN | CAM | NAQ | 5.8° | 37.0° |
CAN | CAO | CAP | NAQ | 45.2° | 22.2° |
CAN | CAO | CAP | CAR | 167.8° | 141.7° |
CAO | CAN | CAM | H20 | 111.5° | 81.8° |
CAN | CAO | CAP | H23 | 71.5° | 97.2° |
CAN | CAO | OAS | H28 | 180.0° | 175.0° |
CAO | CAN | OAT | H30 | 180.0° | 61.4° |
CAN | CAM | CAL | NAQ | 119.9° | 115.3° |
CAN | CAM | CAL | H20 | 119.9° | 122.4° |
CAM | CAN | CAO | CAP | 30.1° | 35.6° |
CAM | CAN | CAO | OAS | 89.7° | 82.7° |
CAN | CAM | NAQ | H20 | 116.4° | 118.9° |
CAN | CAM | NAQ | CAP | 22.5° | 24.1° |
CAN | CAM | CAL | H18 | 46.9° | 58.2° |
CAN | CAM | CAL | H19 | 166.5° | 61.8° |
CAN | CAM | NAQ | H21 | 141.6° | 98.3° |
CAM | CAN | CAO | H27 | 147.4° | 154.1° |
CAM | CAN | OAT | H30 | 64.9° | 173.8° |
CAL | CAM | NAQ | H20 | 119.5° | 122.3° |
CAL | CAM | NAQ | CAP | 101.5° | 142.9° |
CAM | CAL | CAK | H16 | 76.7° | 60.0° |
CAM | CAL | CAK | H17 | 43.2° | 60.0° |
CAM | CAL | H18 | H19 | 119.4° | 120.0° |
CAL | CAM | NAQ | H21 | 17.6° | 20.6° |
CAL | CAM | CAN | H29 | 9.7° | 37.8° |
CAP | CAO | OAS | H27 | 126.7° | 123.1° |
CAO | CAP | NAQ | CAM | 42.1° | 1.0° |
CAO | CAP | NAQ | CAR | 122.0° | 119.4° |
CAO | CAP | NAQ | H23 | 116.1° | 119.5° |
CAO | CAP | CAR | H23 | 120.7° | 121.2° |
CAO | CAP | NAQ | H21 | 161.2° | 121.3° |
CAO | CAP | CAR | H24 | 180.0° | 59.2° |
CAO | CAP | CAR | H25 | 60.0° | 60.8° |
CAO | CAP | CAR | H26 | 60.0° | 179.2° |
CAP | CAO | OAS | H28 | 69.2° | 61.4° |
CAP | CAO | CAN | H29 | 88.0° | 82.5° |
OAS | CAO | CAP | NAQ | 69.6° | 96.1° |
OAS | CAO | CAP | CAR | 53.0° | 23.3° |
OAS | CAO | CAP | H23 | 173.7° | 144.4° |
OAS | CAO | CAN | H29 | 152.2° | 159.1° |
CAM | NAQ | CAP | H21 | 119.1° | 122.3° |
CAM | NAQ | CAP | CAR | 164.1° | 118.4° |
NAQ | CAM | CAL | H18 | 73.0° | 173.5° |
NAQ | CAM | CAL | H19 | 46.6° | 53.5° |
CAM | NAQ | CAP | H23 | 74.0° | 120.6° |
NAQ | CAM | CAN | H29 | 113.0° | 81.1° |
NAQ | CAP | CAR | H23 | 122.5° | 121.0° |
CAP | NAQ | CAM | H20 | 139.0° | 94.8° |
NAQ | CAP | CAR | H24 | 63.2° | 58.5° |
NAQ | CAP | CAR | H25 | 56.8° | 178.5° |
NAQ | CAP | CAR | H26 | 176.8° | 61.4° |
NAQ | CAP | CAO | H27 | 163.0° | 140.9° |
CAR | CAP | NAQ | H21 | 76.8° | 119.3° |
CAP | CAR | H24 | H25 | 120.0° | 120.0° |
CAP | CAR | H24 | H26 | 120.0° | 120.0° |
CAP | CAR | H25 | H26 | 120.0° | 120.0° |
CAR | CAP | CAO | H27 | 74.4° | 99.7° |
H1 | OAG | CAC | H2 | 53.2° | 57.9° |
H2 | CAC | CAB | H3 | 45.7° | 21.3° |
H2 | CAC | CAD | H11 | 149.4° | 120.4° |
H3 | CAB | OAH | H4 | 54.9° | 56.6° |
H3 | CAB | CAA | H5 | 48.5° | 37.3° |
H5 | CAA | CAI | H6 | 58.6° | 63.0° |
H5 | CAA | CAI | H7 | 178.6° | 57.0° |
H5 | CAA | CAI | H8 | 61.4° | 177.0° |
H5 | CAA | NAE | H9 | 37.3° | 41.3° |
H6 | CAI | H7 | H8 | 120.0° | 120.0° |
H9 | NAE | CAD | H11 | 115.6° | 94.8° |
H11 | CAD | CAF | H12 | 164.8° | 173.8° |
H11 | CAD | CAF | H13 | 75.1° | 66.2° |
H12 | CAF | CAJ | H14 | 176.2° | 180.0° |
H12 | CAF | CAJ | H15 | 56.7° | 60.0° |
H13 | CAF | CAJ | H14 | 63.7° | 60.0° |
H13 | CAF | CAJ | H15 | 176.8° | 180.0° |
H14 | CAJ | CAK | H16 | 145.5° | 180.0° |
H14 | CAJ | CAK | H17 | 25.7° | 60.0° |
H15 | CAJ | CAK | H16 | 95.0° | 60.0° |
H15 | CAJ | CAK | H17 | 145.2° | 180.0° |
H16 | CAK | CAL | H18 | 163.2° | 180.0° |
H16 | CAK | CAL | H19 | 43.5° | 60.0° |
H17 | CAK | CAL | H18 | 77.0° | 60.0° |
H17 | CAK | CAL | H19 | 163.3° | NaN° |
H18 | CAL | CAM | H20 | 166.8° | 64.2° |
H19 | CAL | CAM | H20 | 73.6° | 175.8° |
H20 | CAM | NAQ | H21 | 101.9° | 142.9° |
H20 | CAM | CAN | H29 | 129.7° | 160.1° |
H21 | NAQ | CAP | H23 | 45.1° | 1.8° |
H23 | CAP | CAR | H24 | 59.3° | 179.5° |
H23 | CAP | CAR | H25 | 179.3° | 60.4° |
H23 | CAP | CAR | H26 | 60.7° | 59.6° |
H23 | CAP | CAO | H27 | 46.3° | 21.4° |
H24 | CAR | H25 | H26 | 120.0° | 120.0° |
H27 | CAO | OAS | H28 | 57.5° | 61.7° |
H27 | CAO | CAN | H29 | 29.3° | 36.0° |
H29 | CAN | OAT | H30 | 59.0° | 62.4° |