10X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAH | sing | 1.51Å | 1.39Å | |
| CAD | CAF | doub | 1.31Å | 1.39Å | |
| CAH | CAA | sing | 1.53Å | 1.53Å | |
| CAF | CAO | sing | 1.51Å | 1.39Å | |
| CAO | CAT | sing | 1.53Å | 1.52Å | |
| CAT | OAR | sing | 1.43Å | 1.45Å | |
| CAT | CAU | sing | 1.53Å | 1.49Å | |
| OAR | CAU | sing | 1.43Å | 1.45Å | |
| CAU | CAP | sing | 1.53Å | 1.52Å | |
| CAG | CAP | sing | 1.51Å | 1.39Å | |
| CAG | CAE | doub | 1.31Å | 1.39Å | |
| CAE | CAI | sing | 1.51Å | 1.39Å | |
| CAJ | CAI | sing | 1.53Å | 1.53Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAQ | sing | 1.53Å | 1.53Å | |
| OAC | CAS | doub | 1.21Å | 1.26Å | |
| CAQ | CAS | sing | 1.51Å | 1.53Å | |
| CAS | OAB | sing | 1.34Å | 1.26Å | |
| 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 | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAT | H10 | sing | 1.09Å | 1.10Å | |
| CAU | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAI | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAK | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.09Å | 1.10Å | |
| CAL | H22 | sing | 1.09Å | 1.10Å | |
| CAL | H23 | sing | 1.09Å | 1.10Å | |
| CAM | H24 | sing | 1.09Å | 1.10Å | |
| CAM | H25 | sing | 1.09Å | 1.10Å | |
| CAN | H26 | sing | 1.09Å | 1.10Å | |
| CAN | H27 | sing | 1.09Å | 1.10Å | |
| CAQ | H28 | sing | 1.09Å | 1.10Å | |
| CAQ | 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) |
| CAH | CAD | CAF | 120.1° | 120.0° |
| CAD | CAH | CAA | 110.8° | 109.5° |
| CAD | CAH | H4 | 109.2° | 109.5° |
| CAD | CAH | H5 | 109.1° | 109.5° |
| CAH | CAD | H6 | 119.9° | 120.0° |
| CAD | CAF | CAO | 120.7° | 120.0° |
| CAF | CAD | H6 | 119.9° | 120.0° |
| CAD | CAF | H7 | 119.7° | 120.0° |
| CAH | CAA | H1 | 109.5° | 109.4° |
| CAH | CAA | H2 | 109.5° | 109.5° |
| CAH | CAA | H3 | 109.4° | 109.5° |
| CAA | CAH | H4 | 109.1° | 109.4° |
| CAA | CAH | H5 | 109.1° | 109.5° |
| CAF | CAO | CAT | 109.3° | 109.5° |
| CAO | CAF | H7 | 119.6° | 120.0° |
| CAF | CAO | H8 | 109.5° | 109.5° |
| CAF | CAO | H9 | 109.5° | 109.4° |
| CAO | CAT | OAR | 115.1° | 117.8° |
| CAO | CAT | CAU | 115.7° | 117.8° |
| CAT | CAO | H8 | 109.5° | 109.5° |
| CAT | CAO | H9 | 109.5° | 109.4° |
| CAO | CAT | H10 | 117.4° | 115.7° |
| OAR | CAT | CAU | 59.1° | 57.7° |
| CAT | OAR | CAU | 61.9° | 64.7° |
| OAR | CAT | H10 | 118.8° | 117.7° |
| CAT | CAU | OAR | 59.0° | 57.6° |
| CAT | CAU | CAP | 113.8° | 117.8° |
| CAU | CAT | H10 | 117.9° | 117.8° |
| CAT | CAU | H11 | 118.4° | 117.8° |
| OAR | CAU | CAP | 115.2° | 117.8° |
| OAR | CAU | H11 | 119.3° | 117.8° |
| CAU | CAP | CAG | 109.9° | 109.5° |
| CAP | CAU | H11 | 117.8° | 115.7° |
| CAU | CAP | H12 | 109.4° | 109.5° |
| CAU | CAP | H13 | 109.4° | 109.5° |
| CAP | CAG | CAE | 119.4° | 120.0° |
| CAG | CAP | H12 | 109.4° | 109.5° |
| CAG | CAP | H13 | 109.4° | 109.5° |
| CAP | CAG | H14 | 120.3° | 120.0° |
| CAG | CAE | CAI | 120.0° | 120.0° |
| CAE | CAG | H14 | 120.3° | 120.0° |
| CAG | CAE | H15 | 120.0° | 120.0° |
| CAE | CAI | CAJ | 111.1° | 109.4° |
| CAI | CAE | H15 | 120.0° | 120.0° |
| CAE | CAI | H16 | 109.0° | 109.5° |
| CAE | CAI | H17 | 109.0° | 109.5° |
| CAI | CAJ | CAK | 110.4° | 109.4° |
| CAJ | CAI | H16 | 109.1° | 109.4° |
| CAJ | CAI | H17 | 109.1° | 109.5° |
| CAI | CAJ | H18 | 109.2° | 109.4° |
| CAI | CAJ | H19 | 109.2° | 109.5° |
| CAJ | CAK | CAL | 111.0° | 109.4° |
| CAK | CAJ | H18 | 109.2° | 109.5° |
| CAK | CAJ | H19 | 109.2° | 109.5° |
| CAJ | CAK | H20 | 109.1° | 109.5° |
| CAJ | CAK | H21 | 109.1° | 109.5° |
| CAK | CAL | CAM | 110.8° | 109.4° |
| CAL | CAK | H20 | 109.1° | 109.5° |
| CAL | CAK | H21 | 109.1° | 109.5° |
| CAK | CAL | H22 | 109.2° | 109.4° |
| CAK | CAL | H23 | 109.1° | 109.5° |
| CAL | CAM | CAN | 109.8° | 109.4° |
| CAM | CAL | H22 | 109.1° | 109.5° |
| CAM | CAL | H23 | 109.2° | 109.5° |
| CAL | CAM | H24 | 109.4° | 109.5° |
| CAL | CAM | H25 | 109.4° | 109.5° |
| CAM | CAN | CAQ | 110.8° | 109.5° |
| CAN | CAM | H24 | 109.4° | 109.5° |
| CAN | CAM | H25 | 109.4° | 109.5° |
| CAM | CAN | H26 | 109.1° | 109.5° |
| CAM | CAN | H27 | 109.1° | 109.5° |
| CAN | CAQ | CAS | 111.0° | 109.5° |
| CAQ | CAN | H26 | 109.1° | 109.5° |
| CAQ | CAN | H27 | 109.1° | 109.4° |
| CAN | CAQ | H28 | 109.1° | 109.5° |
| CAN | CAQ | H29 | 109.1° | 109.5° |
| OAC | CAS | CAQ | 116.4° | 120.0° |
| OAC | CAS | OAB | 126.5° | 120.0° |
| CAQ | CAS | OAB | 117.1° | 120.0° |
| CAS | CAQ | H28 | 109.1° | 109.5° |
| CAS | CAQ | H29 | 109.1° | 109.5° |
| CAS | OAB | H30 | 109.5° | 117.0° |
| H1 | CAA | H2 | 109.4° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H8 | CAO | H9 | 109.4° | 109.5° |
| H12 | CAP | H13 | 109.4° | 109.4° |
| H16 | CAI | H17 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
| H20 | CAK | H21 | 109.5° | 109.5° |
| H22 | CAL | H23 | 109.4° | 109.5° |
| H24 | CAM | H25 | 109.5° | 109.5° |
| H26 | CAN | H27 | 109.5° | 109.5° |
| H28 | CAQ | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAD | CAF | H6 | 180.0° | 180.0° |
| CAD | CAH | CAA | H4 | 120.2° | 120.0° |
| CAD | CAH | CAA | H5 | 120.2° | 120.0° |
| CAH | CAD | CAF | CAO | 1.2° | 7.5° |
| CAD | CAH | CAA | H1 | 180.0° | 60.0° |
| CAD | CAH | CAA | H2 | 60.0° | 180.0° |
| CAD | CAH | CAA | H3 | 60.0° | 60.0° |
| CAD | CAH | H4 | H5 | 119.4° | 120.0° |
| CAH | CAD | CAF | H7 | 178.8° | 172.5° |
| CAF | CAD | CAH | CAA | 126.3° | 127.6° |
| CAD | CAF | CAO | H7 | 180.0° | 180.0° |
| CAD | CAF | CAO | CAT | 93.4° | 126.3° |
| CAF | CAD | CAH | H4 | 113.5° | 7.6° |
| CAF | CAD | CAH | H5 | 6.1° | 112.3° |
| CAD | CAF | CAO | H8 | 26.6° | 113.6° |
| CAD | CAF | CAO | H9 | 146.6° | 6.4° |
| CAH | CAA | H1 | H2 | 120.0° | 120.0° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | CAH | H4 | H5 | 119.4° | 120.0° |
| CAA | CAH | CAD | H6 | 53.7° | 52.4° |
| CAF | CAO | CAT | H8 | 120.0° | 120.0° |
| CAF | CAO | CAT | H9 | 120.0° | 120.0° |
| CAF | CAO | CAT | OAR | 113.2° | 116.4° |
| CAF | CAO | CAT | CAU | 179.3° | 177.6° |
| CAO | CAF | CAD | H6 | 178.8° | 172.5° |
| CAF | CAO | H8 | H9 | 120.1° | 120.0° |
| CAF | CAO | CAT | H10 | 34.0° | 30.6° |
| CAO | CAT | OAR | CAU | 106.1° | 106.8° |
| CAO | CAT | OAR | H10 | 146.8° | 146.3° |
| CAO | CAT | CAU | H10 | 146.4° | 146.3° |
| CAO | CAT | CAU | CAP | 148.8° | 146.3° |
| CAT | CAO | CAF | H7 | 86.6° | 53.7° |
| CAT | CAO | H8 | H9 | 120.1° | 120.0° |
| CAO | CAT | CAU | H11 | 3.8° | 0.1° |
| OAR | CAT | CAU | H10 | 108.5° | 106.8° |
| OAR | CAT | CAU | CAP | 106.1° | 106.8° |
| OAR | CAT | CAO | H8 | 126.8° | 123.6° |
| OAR | CAT | CAO | H9 | 6.8° | 3.6° |
| OAR | CAT | CAU | H11 | 108.9° | 106.8° |
| CAT | CAU | CAP | H11 | 145.2° | 147.1° |
| CAT | CAU | CAP | CAG | 82.1° | 175.0° |
| CAU | CAT | CAO | H8 | 60.7° | 57.6° |
| CAU | CAT | CAO | H9 | 59.4° | 62.4° |
| CAT | CAU | CAP | H12 | 157.9° | 65.0° |
| CAT | CAU | CAP | H13 | 38.0° | 55.0° |
| OAR | CAU | CAP | H11 | 149.2° | 146.9° |
| OAR | CAU | CAP | CAG | 147.6° | 119.0° |
| OAR | CAU | CAP | H12 | 92.3° | 1.0° |
| OAR | CAU | CAP | H13 | 27.5° | 121.0° |
| CAU | CAP | CAG | H12 | 120.1° | 120.0° |
| CAU | CAP | CAG | H13 | 120.1° | 120.0° |
| CAU | CAP | CAG | CAE | 101.8° | 127.7° |
| CAP | CAU | CAT | H10 | 2.4° | 0.0° |
| CAU | CAP | H12 | H13 | 119.8° | 120.0° |
| CAU | CAP | CAG | H14 | 78.2° | 52.4° |
| CAP | CAG | CAE | H14 | 180.0° | 179.9° |
| CAP | CAG | CAE | CAI | 1.1° | 7.5° |
| CAG | CAP | CAU | H11 | 63.1° | 28.0° |
| CAG | CAP | H12 | H13 | 119.8° | 120.0° |
| CAP | CAG | CAE | H15 | 178.9° | 172.4° |
| CAG | CAE | CAI | H15 | 180.0° | 179.9° |
| CAG | CAE | CAI | CAJ | 122.7° | 126.4° |
| CAE | CAG | CAP | H12 | 18.3° | 7.6° |
| CAE | CAG | CAP | H13 | 138.1° | 112.3° |
| CAG | CAE | CAI | H16 | 2.5° | 113.7° |
| CAG | CAE | CAI | H17 | 117.0° | 6.4° |
| CAE | CAI | CAJ | H16 | 120.2° | 120.0° |
| CAE | CAI | CAJ | H17 | 120.2° | 120.0° |
| CAE | CAI | CAJ | CAK | 163.5° | 180.0° |
| CAI | CAE | CAG | H14 | 178.9° | 172.4° |
| CAE | CAI | H16 | H17 | 119.2° | 120.0° |
| CAE | CAI | CAJ | H18 | 43.4° | 60.0° |
| CAE | CAI | CAJ | H19 | 76.3° | 60.0° |
| CAI | CAJ | CAK | H18 | 120.1° | 120.0° |
| CAI | CAJ | CAK | H19 | 120.1° | 120.0° |
| CAI | CAJ | CAK | CAL | 62.4° | 180.0° |
| CAJ | CAI | CAE | H15 | 57.2° | 53.7° |
| CAJ | CAI | H16 | H17 | 119.3° | 120.0° |
| CAI | CAJ | H18 | H19 | 119.5° | 120.0° |
| CAI | CAJ | CAK | H20 | 57.8° | 60.0° |
| CAI | CAJ | CAK | H21 | 177.3° | 60.0° |
| CAJ | CAK | CAL | H20 | 120.2° | 120.0° |
| CAJ | CAK | CAL | H21 | 120.2° | 120.0° |
| CAJ | CAK | CAL | CAM | 120.1° | 180.0° |
| CAK | CAJ | CAI | H16 | 76.2° | 60.0° |
| CAK | CAJ | CAI | H17 | 43.3° | 60.0° |
| CAK | CAJ | H18 | H19 | 119.6° | 120.1° |
| CAJ | CAK | H20 | H21 | 119.3° | 120.0° |
| CAJ | CAK | CAL | H22 | 119.7° | 60.0° |
| CAJ | CAK | CAL | H23 | 0.2° | 60.0° |
| CAK | CAL | CAM | H22 | 120.2° | 120.0° |
| CAK | CAL | CAM | H23 | 120.2° | 120.0° |
| CAK | CAL | CAM | CAN | 142.0° | 180.0° |
| CAL | CAK | CAJ | H18 | 177.4° | 60.0° |
| CAL | CAK | CAJ | H19 | 57.7° | 60.0° |
| CAL | CAK | H20 | H21 | 119.3° | 120.0° |
| CAK | CAL | H22 | H23 | 119.4° | 120.0° |
| CAK | CAL | CAM | H24 | 98.0° | 60.0° |
| CAK | CAL | CAM | H25 | 22.0° | 60.0° |
| CAL | CAM | CAN | H24 | 120.0° | 120.0° |
| CAL | CAM | CAN | H25 | 120.0° | 120.0° |
| CAL | CAM | CAN | CAQ | 178.6° | 180.0° |
| CAM | CAL | CAK | H20 | 0.1° | 60.0° |
| CAM | CAL | CAK | H21 | 119.7° | 60.0° |
| CAM | CAL | H22 | H23 | 119.4° | 120.1° |
| CAL | CAM | H24 | H25 | 119.9° | 120.0° |
| CAL | CAM | CAN | H26 | 61.2° | 60.0° |
| CAL | CAM | CAN | H27 | 58.4° | 60.0° |
| CAM | CAN | CAQ | H26 | 120.2° | 120.0° |
| CAM | CAN | CAQ | H27 | 120.2° | 120.0° |
| CAM | CAN | CAQ | CAS | 129.2° | 180.0° |
| CAN | CAM | CAL | H22 | 21.8° | 60.0° |
| CAN | CAM | CAL | H23 | 97.8° | 60.0° |
| CAN | CAM | H24 | H25 | 119.8° | 120.0° |
| CAM | CAN | H26 | H27 | 119.4° | 120.1° |
| CAM | CAN | CAQ | H28 | 8.9° | 59.9° |
| CAM | CAN | CAQ | H29 | 110.6° | 60.0° |
| CAN | CAQ | CAS | OAC | 99.6° | 0.0° |
| CAN | CAQ | CAS | H28 | 120.3° | 120.1° |
| CAN | CAQ | CAS | H29 | 120.2° | 120.0° |
| CAN | CAQ | CAS | OAB | 80.8° | 180.0° |
| CAQ | CAN | CAM | H24 | 58.5° | 60.0° |
| CAQ | CAN | CAM | H25 | 61.4° | 60.0° |
| CAQ | CAN | H26 | H27 | 119.4° | 119.9° |
| CAN | CAQ | H28 | H29 | 119.3° | 120.0° |
| OAC | CAS | CAQ | OAB | 179.6° | 180.0° |
| OAC | CAS | CAQ | H28 | 20.7° | 120.0° |
| OAC | CAS | CAQ | H29 | 140.2° | 120.0° |
| OAC | CAS | OAB | H30 | 0.0° | 0.1° |
| CAS | CAQ | CAN | H26 | 110.6° | 60.0° |
| CAS | CAQ | CAN | H27 | 9.0° | 60.0° |
| CAS | CAQ | H28 | H29 | 119.3° | 119.9° |
| CAQ | CAS | OAB | H30 | 179.5° | 180.0° |
| OAB | CAS | CAQ | H28 | 158.9° | 59.9° |
| OAB | CAS | CAQ | H29 | 39.4° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.8° | 180.0° |
| 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 | 179.9° | NaN° |
| H4 | CAH | CAD | H6 | 66.5° | 172.4° |
| H5 | CAH | CAD | H6 | 173.9° | 67.6° |
| H6 | CAD | CAF | H7 | 1.2° | 7.6° |
| H7 | CAF | CAO | H8 | 153.4° | 66.3° |
| H7 | CAF | CAO | H9 | 33.4° | 173.7° |
| H8 | CAO | CAT | H10 | 86.0° | 89.4° |
| H9 | CAO | CAT | H10 | 154.0° | 150.5° |
| H10 | CAT | CAU | H11 | 142.6° | 146.4° |
| H11 | CAU | CAP | H12 | 56.9° | 148.0° |
| H11 | CAU | CAP | H13 | 176.8° | 92.0° |
| H12 | CAP | CAG | H14 | 161.7° | 172.5° |
| H13 | CAP | CAG | H14 | 41.9° | 67.6° |
| H14 | CAG | CAE | H15 | 1.1° | 7.7° |
| H15 | CAE | CAI | H16 | 177.5° | 66.3° |
| H15 | CAE | CAI | H17 | 63.0° | 173.7° |
| H16 | CAI | CAJ | H18 | 163.6° | 180.0° |
| H16 | CAI | CAJ | H19 | 43.9° | 60.0° |
| H17 | CAI | CAJ | H18 | 76.9° | 60.0° |
| H17 | CAI | CAJ | H19 | 163.4° | 180.0° |
| H18 | CAJ | CAK | H20 | 62.4° | 180.0° |
| H18 | CAJ | CAK | H21 | 57.2° | 59.9° |
| H19 | CAJ | CAK | H20 | 177.9° | 60.0° |
| H19 | CAJ | CAK | H21 | 62.5° | 180.0° |
| H20 | CAK | CAL | H22 | 120.1° | 180.0° |
| H20 | CAK | CAL | H23 | 120.4° | 60.0° |
| H21 | CAK | CAL | H22 | 0.5° | 60.0° |
| H21 | CAK | CAL | H23 | 120.1° | 180.0° |
| H22 | CAL | CAM | H24 | 141.8° | 180.0° |
| H22 | CAL | CAM | H25 | 98.2° | 59.9° |
| H23 | CAL | CAM | H24 | 22.3° | 60.0° |
| H23 | CAL | CAM | H25 | 142.2° | 180.0° |
| H24 | CAM | CAN | H26 | 178.7° | NaN° |
| H24 | CAM | CAN | H27 | 61.7° | 59.9° |
| H25 | CAM | CAN | H26 | 58.8° | 60.0° |
| H25 | CAM | CAN | H27 | 178.4° | 180.0° |
| H26 | CAN | CAQ | H28 | 129.1° | 180.0° |
| H26 | CAN | CAQ | H29 | 9.6° | 60.0° |
| H27 | CAN | CAQ | H28 | 111.3° | 60.1° |
| H27 | CAN | CAQ | H29 | 129.2° | 180.0° |
