U2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAF | doub | 1.39Å | 1.43Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| NAB | CAF | sing | 1.38Å | 1.37Å | Aromatic |
| NAB | CAH | sing | 1.37Å | 1.33Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.37Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAD | doub | 1.34Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.51Å | 1.53Å | |
| CAP | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.46Å | 1.44Å | Aromatic |
| CAE | CAI | doub | 1.40Å | 1.43Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | OAA | sing | 1.36Å | 1.42Å | |
| CAO | OAA | sing | 1.43Å | 1.41Å | |
| CAD | CAG | sing | 1.51Å | 1.53Å | |
| NAC | CAG | sing | 1.47Å | 1.47Å | |
| NAC | CAM | sing | 1.47Å | 1.46Å | |
| NAC | CAN | sing | 1.47Å | 1.46Å | |
| CAN | C42 | sing | 1.53Å | 1.53Å | |
| C42 | C24 | sing | 1.53Å | 1.52Å | |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAR | H15 | sing | 1.08Å | 1.08Å | |
| CAS | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å | |
| CAU | H18 | sing | 1.08Å | 1.08Å | |
| NAB | H19 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAJ | CAL | 120.4° | 120.0° |
| CAJ | CAF | NAB | 132.0° | 133.3° |
| CAJ | CAF | CAE | 119.7° | 119.5° |
| CAF | CAJ | H5 | 119.8° | 120.0° |
| CAJ | CAL | CAK | 120.0° | 120.6° |
| CAL | CAJ | H5 | 119.8° | 120.0° |
| CAJ | CAL | H6 | 120.0° | 119.7° |
| CAQ | CAS | CAU | 120.3° | 120.0° |
| CAS | CAQ | CAP | 119.9° | 120.0° |
| CAS | CAQ | H14 | 120.0° | 120.0° |
| CAQ | CAS | H16 | 119.9° | 120.1° |
| CAS | CAU | CAT | 119.8° | 120.0° |
| CAU | CAS | H16 | 119.8° | 120.0° |
| CAS | CAU | H18 | 120.1° | 120.0° |
| CAF | NAB | CAH | 110.4° | 109.8° |
| NAB | CAF | CAE | 108.3° | 107.1° |
| CAF | NAB | H19 | 124.8° | 125.1° |
| NAB | CAH | CAD | 108.6° | 109.9° |
| NAB | CAH | H3 | 125.7° | 125.0° |
| CAH | NAB | H19 | 124.8° | 125.0° |
| CAQ | CAP | CAO | 119.9° | 119.9° |
| CAQ | CAP | CAR | 119.7° | 120.0° |
| CAP | CAQ | H14 | 120.0° | 120.0° |
| CAF | CAE | CAD | 106.5° | 106.1° |
| CAF | CAE | CAI | 119.9° | 120.0° |
| CAL | CAK | CAI | 119.5° | 120.3° |
| CAL | CAK | OAA | 121.0° | 119.9° |
| CAK | CAL | H6 | 120.0° | 119.7° |
| CAU | CAT | CAR | 120.0° | 120.0° |
| CAU | CAT | H17 | 120.0° | 120.0° |
| CAT | CAU | H18 | 120.1° | 119.9° |
| CAH | CAD | CAE | 106.2° | 107.0° |
| CAH | CAD | CAG | 127.0° | 126.4° |
| CAD | CAH | H3 | 125.7° | 125.1° |
| CAO | CAP | CAR | 120.4° | 120.0° |
| CAP | CAO | OAA | 109.0° | 109.5° |
| CAP | CAO | H12 | 109.6° | 109.5° |
| CAP | CAO | H13 | 109.6° | 109.5° |
| CAP | CAR | CAT | 120.2° | 120.0° |
| CAP | CAR | H15 | 119.9° | 120.0° |
| CAT | CAR | H15 | 119.9° | 120.0° |
| CAR | CAT | H17 | 120.0° | 120.0° |
| CAD | CAE | CAI | 133.6° | 133.9° |
| CAE | CAD | CAG | 126.8° | 126.5° |
| CAE | CAI | CAK | 120.5° | 119.6° |
| CAE | CAI | H4 | 119.8° | 120.2° |
| CAI | CAK | OAA | 119.5° | 119.8° |
| CAK | CAI | H4 | 119.7° | 120.2° |
| CAK | OAA | CAO | 115.5° | 117.0° |
| OAA | CAO | H12 | 109.6° | 109.5° |
| OAA | CAO | H13 | 109.6° | 109.4° |
| CAD | CAG | NAC | 110.5° | 109.5° |
| CAD | CAG | H1 | 109.2° | 109.5° |
| CAD | CAG | H2 | 109.2° | 109.5° |
| CAG | NAC | CAM | 109.9° | 111.0° |
| CAG | NAC | CAN | 112.5° | 111.0° |
| NAC | CAG | H1 | 109.2° | 109.5° |
| NAC | CAG | H2 | 109.2° | 109.4° |
| CAM | NAC | CAN | 109.7° | 111.0° |
| NAC | CAM | H7 | 109.5° | 109.5° |
| NAC | CAM | H8 | 109.5° | 109.5° |
| NAC | CAM | H9 | 109.4° | 109.5° |
| NAC | CAN | C42 | 113.6° | 109.5° |
| NAC | CAN | H10 | 108.4° | 109.5° |
| NAC | CAN | H11 | 108.4° | 109.5° |
| CAN | C42 | C24 | 111.9° | 109.5° |
| C42 | CAN | H10 | 108.5° | 109.5° |
| C42 | CAN | H11 | 108.4° | 109.5° |
| CAN | C42 | H24 | 108.9° | 109.5° |
| CAN | C42 | H25 | 108.9° | 109.5° |
| C42 | C24 | H21 | 109.5° | 109.5° |
| C42 | C24 | H22 | 109.5° | 109.5° |
| C42 | C24 | H23 | 109.5° | 109.5° |
| C24 | C42 | H24 | 108.9° | 109.4° |
| C24 | C42 | H25 | 108.8° | 109.4° |
| H1 | CAG | H2 | 109.5° | 109.4° |
| H7 | CAM | H8 | 109.5° | 109.4° |
| H7 | CAM | H9 | 109.5° | 109.5° |
| H8 | CAM | H9 | 109.5° | 109.5° |
| H10 | CAN | H11 | 109.4° | 109.4° |
| H12 | CAO | H13 | 109.5° | 109.4° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H21 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H24 | C42 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAJ | CAL | H5 | 180.0° | 180.0° |
| CAJ | CAF | NAB | CAE | 179.9° | 180.0° |
| CAJ | CAF | NAB | CAH | 180.0° | 179.7° |
| CAF | CAJ | CAL | CAK | 0.1° | 0.0° |
| CAJ | CAF | CAE | CAD | 179.9° | 180.0° |
| CAJ | CAF | CAE | CAI | 0.0° | 0.0° |
| CAF | CAJ | CAL | H6 | 180.0° | 180.0° |
| CAJ | CAF | NAB | H19 | 0.0° | 0.1° |
| CAL | CAJ | CAF | NAB | 179.9° | 180.0° |
| CAL | CAJ | CAF | CAE | 0.0° | 0.0° |
| CAJ | CAL | CAK | H6 | 180.0° | 180.0° |
| CAJ | CAL | CAK | CAI | 0.2° | 0.0° |
| CAJ | CAL | CAK | OAA | 180.0° | 180.0° |
| CAQ | CAS | CAU | H16 | 180.0° | 180.0° |
| CAS | CAQ | CAP | H14 | 180.0° | 180.0° |
| CAQ | CAS | CAU | CAT | 0.0° | 0.3° |
| CAS | CAQ | CAP | CAO | 180.0° | 180.0° |
| CAS | CAQ | CAP | CAR | 0.1° | 0.3° |
| CAQ | CAS | CAU | H18 | 180.0° | 179.9° |
| CAU | CAS | CAQ | CAP | 0.0° | 0.0° |
| CAS | CAU | CAT | H18 | 180.0° | 179.8° |
| CAS | CAU | CAT | CAR | 0.0° | 0.3° |
| CAU | CAS | CAQ | H14 | 179.9° | 180.0° |
| CAS | CAU | CAT | H17 | 180.0° | 179.7° |
| CAF | NAB | CAH | H19 | 180.0° | 179.6° |
| CAF | NAB | CAH | CAD | 0.2° | 0.5° |
| NAB | CAF | CAE | CAD | 0.0° | 0.0° |
| NAB | CAF | CAE | CAI | 179.9° | 180.0° |
| CAF | NAB | CAH | H3 | 179.9° | 179.7° |
| NAB | CAF | CAJ | H5 | 0.1° | 0.0° |
| CAH | NAB | CAF | CAE | 0.1° | 0.3° |
| NAB | CAH | CAD | H3 | 180.0° | 179.8° |
| NAB | CAH | CAD | CAE | 0.1° | 0.5° |
| NAB | CAH | CAD | CAG | 179.9° | 179.8° |
| CAQ | CAP | CAO | CAR | 180.0° | 179.7° |
| CAQ | CAP | CAR | CAT | 0.1° | 0.3° |
| CAQ | CAP | CAO | OAA | 154.3° | 89.8° |
| CAQ | CAP | CAO | H12 | 85.7° | 30.3° |
| CAQ | CAP | CAO | H13 | 34.4° | 150.3° |
| CAQ | CAP | CAR | H15 | 179.9° | 179.8° |
| CAP | CAQ | CAS | H16 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAH | 0.1° | 0.3° |
| CAF | CAE | CAD | CAI | 179.9° | 179.9° |
| CAF | CAE | CAI | CAK | 0.1° | 0.1° |
| CAF | CAE | CAD | CAG | 180.0° | 180.0° |
| CAF | CAE | CAI | H4 | 179.9° | 180.0° |
| CAE | CAF | CAJ | H5 | 180.0° | 180.0° |
| CAE | CAF | NAB | H19 | 179.9° | 179.9° |
| CAL | CAK | CAI | CAE | 0.2° | 0.1° |
| CAL | CAK | CAI | OAA | 179.8° | 180.0° |
| CAL | CAK | OAA | CAO | 15.7° | 0.0° |
| CAL | CAK | CAI | H4 | 179.8° | 180.0° |
| CAK | CAL | CAJ | H5 | 180.0° | 180.0° |
| CAU | CAT | CAR | CAP | 0.1° | 0.0° |
| CAU | CAT | CAR | H17 | 180.0° | 180.0° |
| CAU | CAT | CAR | H15 | 179.9° | 179.9° |
| CAT | CAU | CAS | H16 | 180.0° | 179.8° |
| CAH | CAD | CAE | CAG | 179.9° | 179.7° |
| CAH | CAD | CAE | CAI | 180.0° | 179.8° |
| CAH | CAD | CAG | NAC | 89.0° | 99.7° |
| CAH | CAD | CAG | H1 | 150.9° | 20.3° |
| CAH | CAD | CAG | H2 | 31.2° | 140.3° |
| CAD | CAH | NAB | H19 | 179.8° | 179.9° |
| CAO | CAP | CAR | CAT | 179.9° | 180.0° |
| CAP | CAO | OAA | CAK | 117.6° | 180.0° |
| CAP | CAO | OAA | H12 | 119.9° | 120.1° |
| CAP | CAO | OAA | H13 | 119.9° | 120.0° |
| CAP | CAO | H12 | H13 | 120.2° | 120.0° |
| CAO | CAP | CAQ | H14 | 0.1° | 0.0° |
| CAO | CAP | CAR | H15 | 0.0° | 0.1° |
| CAP | CAR | CAT | H15 | 180.0° | 179.9° |
| CAR | CAP | CAO | OAA | 25.7° | 90.0° |
| CAR | CAP | CAO | H12 | 94.2° | 150.0° |
| CAR | CAP | CAO | H13 | 145.6° | 30.0° |
| CAR | CAP | CAQ | H14 | 179.9° | 179.7° |
| CAP | CAR | CAT | H17 | 179.9° | 180.0° |
| CAR | CAT | CAU | H18 | 180.0° | 179.9° |
| CAD | CAE | CAI | CAK | 180.0° | 180.0° |
| CAE | CAD | CAG | NAC | 91.1° | 80.0° |
| CAE | CAD | CAG | H1 | 29.0° | 160.0° |
| CAE | CAD | CAG | H2 | 148.7° | 40.0° |
| CAE | CAD | CAH | H3 | 179.9° | 179.7° |
| CAD | CAE | CAI | H4 | 0.0° | 0.1° |
| CAE | CAI | CAK | H4 | 180.0° | 179.9° |
| CAE | CAI | CAK | OAA | 180.0° | 179.9° |
| CAI | CAE | CAD | CAG | 0.1° | 0.1° |
| CAI | CAK | OAA | CAO | 164.5° | 180.0° |
| CAI | CAK | CAL | H6 | 179.9° | 180.0° |
| OAA | CAK | CAI | H4 | 0.0° | 0.0° |
| OAA | CAK | CAL | H6 | 0.1° | 0.0° |
| CAK | OAA | CAO | H12 | 122.5° | 60.0° |
| CAK | OAA | CAO | H13 | 2.3° | 60.0° |
| OAA | CAO | H12 | H13 | 120.2° | 119.9° |
| CAD | CAG | NAC | H1 | 120.1° | 120.1° |
| CAD | CAG | NAC | H2 | 120.1° | 120.0° |
| CAD | CAG | NAC | CAM | 82.9° | 66.1° |
| CAD | CAG | NAC | CAN | 154.6° | 169.9° |
| CAD | CAG | H1 | H2 | 119.5° | 120.0° |
| CAG | CAD | CAH | H3 | 0.0° | 0.0° |
| CAG | NAC | CAM | CAN | 124.1° | 124.0° |
| CAG | NAC | CAN | C42 | 16.5° | 170.0° |
| NAC | CAG | H1 | H2 | 119.6° | 119.9° |
| CAG | NAC | CAM | H7 | 180.0° | 60.1° |
| CAG | NAC | CAM | H8 | 60.0° | 180.0° |
| CAG | NAC | CAM | H9 | 60.0° | 60.0° |
| CAG | NAC | CAN | H10 | 137.2° | 70.0° |
| CAG | NAC | CAN | H11 | 104.1° | 50.0° |
| CAM | NAC | CAN | C42 | 139.1° | 66.0° |
| CAM | NAC | CAG | H1 | 37.2° | 54.0° |
| CAM | NAC | CAG | H2 | 157.0° | 174.0° |
| NAC | CAM | H7 | H8 | 120.0° | 120.0° |
| NAC | CAM | H7 | H9 | 120.0° | 120.1° |
| NAC | CAM | H8 | H9 | 120.0° | 120.1° |
| CAM | NAC | CAN | H10 | 100.2° | 54.0° |
| CAM | NAC | CAN | H11 | 18.5° | 173.9° |
| NAC | CAN | C42 | H10 | 120.6° | 120.0° |
| NAC | CAN | C42 | H11 | 120.6° | 120.0° |
| NAC | CAN | C42 | C24 | 155.9° | 180.0° |
| CAN | NAC | CAG | H1 | 85.3° | 70.0° |
| CAN | NAC | CAG | H2 | 34.5° | 50.0° |
| CAN | NAC | CAM | H7 | 55.9° | 63.9° |
| CAN | NAC | CAM | H8 | 175.9° | 56.0° |
| CAN | NAC | CAM | H9 | 64.1° | 176.0° |
| NAC | CAN | H10 | H11 | 118.1° | 120.0° |
| NAC | CAN | C42 | H24 | 83.8° | 60.0° |
| NAC | CAN | C42 | H25 | 35.5° | 60.1° |
| CAN | C42 | C24 | H24 | 120.4° | 120.0° |
| CAN | C42 | C24 | H25 | 120.4° | 120.0° |
| C42 | CAN | H10 | H11 | 118.1° | 120.0° |
| CAN | C42 | C24 | H21 | 180.0° | 180.0° |
| CAN | C42 | C24 | H22 | 60.0° | 60.0° |
| CAN | C42 | C24 | H23 | 60.0° | 60.0° |
| CAN | C42 | H24 | H25 | 118.9° | 120.1° |
| C24 | C42 | CAN | H10 | 35.2° | 60.0° |
| C24 | C42 | CAN | H11 | 83.5° | 60.0° |
| C42 | C24 | H21 | H22 | 120.0° | 120.0° |
| C42 | C24 | H21 | H23 | 120.0° | 120.0° |
| C42 | C24 | H22 | H23 | 120.0° | 120.0° |
| C24 | C42 | H24 | H25 | 118.9° | 119.9° |
| H3 | CAH | NAB | H19 | 0.1° | 0.0° |
| H5 | CAJ | CAL | H6 | 0.0° | 0.0° |
| H7 | CAM | H8 | H9 | 120.0° | 120.0° |
| H10 | CAN | C42 | H24 | 155.6° | 180.0° |
| H10 | CAN | C42 | H25 | 85.1° | 59.9° |
| H11 | CAN | C42 | H24 | 36.8° | 60.0° |
| H11 | CAN | C42 | H25 | 156.1° | 179.9° |
| H14 | CAQ | CAS | H16 | 0.0° | 0.1° |
| H15 | CAR | CAT | H17 | 0.1° | 0.0° |
| H16 | CAS | CAU | H18 | 0.0° | 0.0° |
| H17 | CAT | CAU | H18 | 0.0° | 0.0° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
| H21 | C24 | C42 | H24 | 59.6° | 60.0° |
| H21 | C24 | C42 | H25 | 59.6° | 60.0° |
| H22 | C24 | C42 | H24 | 179.6° | 180.0° |
| H22 | C24 | C42 | H25 | 60.4° | 60.0° |
| H23 | C24 | C42 | H24 | 60.4° | 60.0° |
| H23 | C24 | C42 | H25 | 179.6° | 180.0° |
