C1U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAQ | CAQ | doub | 1.22Å | 1.24Å | |
| OAD | CAS | sing | 1.36Å | 1.32Å | |
| CAQ | OAB | sing | 1.35Å | 1.23Å | |
| CAQ | CAU | sing | 1.47Å | 1.48Å | |
| CAS | CAU | doub | 1.40Å | 1.38Å | Aromatic |
| CAS | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.41Å | 1.33Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAG | sing | 1.48Å | 1.51Å | |
| CAT | CAI | doub | 1.39Å | 1.43Å | Aromatic |
| CAR | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | OAC | sing | 1.36Å | 1.36Å | |
| CAG | CAF | doub | 1.33Å | 1.36Å | |
| CAF | CAJ | sing | 1.51Å | 1.51Å | |
| CAJ | CAK | sing | 1.53Å | 1.52Å | |
| CAK | CAN | sing | 1.53Å | 1.54Å | |
| CAN | CAW | sing | 1.53Å | 1.55Å | |
| CAW | CAO | sing | 1.53Å | 1.53Å | |
| CAW | OAE | sing | 1.43Å | 1.46Å | |
| CAO | CAL | sing | 1.53Å | 1.54Å | |
| CAV | CAA | sing | 1.53Å | 1.49Å | |
| CAV | CAM | sing | 1.53Å | 1.55Å | |
| CAV | OAV | sing | 1.43Å | 1.45Å | |
| CAL | CAM | sing | 1.53Å | 1.54Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| CAO | H19 | sing | 1.09Å | 1.10Å | |
| CAV | H20 | sing | 1.09Å | 1.10Å | |
| CAW | H21 | sing | 1.09Å | 1.10Å | |
| OAB | H22 | sing | 0.97Å | 0.95Å | |
| OAC | H23 | sing | 0.97Å | 0.95Å | |
| OAD | H24 | sing | 0.97Å | 0.95Å | |
| OAE | H25 | sing | 0.97Å | 0.95Å | |
| OAV | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAQ | CAQ | OAB | 127.2° | 120.0° |
| OAQ | CAQ | CAU | 116.0° | 120.0° |
| OAD | CAS | CAU | 125.5° | 120.0° |
| OAD | CAS | CAH | 115.8° | 120.1° |
| CAS | OAD | H24 | 109.5° | 114.0° |
| OAB | CAQ | CAU | 116.5° | 120.0° |
| CAQ | OAB | H22 | 109.5° | 117.0° |
| CAQ | CAU | CAS | 113.4° | 120.2° |
| CAQ | CAU | CAT | 120.9° | 120.3° |
| CAU | CAS | CAH | 118.7° | 119.9° |
| CAS | CAU | CAT | 125.7° | 119.6° |
| CAS | CAH | CAR | 118.6° | 120.3° |
| CAS | CAH | H6 | 120.7° | 119.8° |
| CAU | CAT | CAG | 123.8° | 120.2° |
| CAU | CAT | CAI | 116.0° | 119.7° |
| CAH | CAR | CAI | 120.5° | 120.5° |
| CAH | CAR | OAC | 120.0° | 119.8° |
| CAR | CAH | H6 | 120.7° | 119.8° |
| CAG | CAT | CAI | 119.3° | 120.1° |
| CAT | CAG | CAF | 116.7° | 120.0° |
| CAT | CAG | H5 | 121.6° | 120.0° |
| CAT | CAI | CAR | 120.3° | 120.1° |
| CAT | CAI | H7 | 119.8° | 120.0° |
| CAI | CAR | OAC | 119.5° | 119.8° |
| CAR | CAI | H7 | 119.8° | 120.0° |
| CAR | OAC | H23 | 109.5° | 114.0° |
| CAG | CAF | CAJ | 122.6° | 120.0° |
| CAG | CAF | H4 | 118.7° | 120.0° |
| CAF | CAG | H5 | 121.7° | 120.0° |
| CAF | CAJ | CAK | 104.8° | 109.5° |
| CAJ | CAF | H4 | 118.7° | 120.0° |
| CAF | CAJ | H8 | 110.6° | 109.5° |
| CAF | CAJ | H9 | 110.6° | 109.5° |
| CAJ | CAK | CAN | 112.8° | 109.5° |
| CAK | CAJ | H8 | 110.6° | 109.4° |
| CAK | CAJ | H9 | 110.6° | 109.5° |
| CAJ | CAK | H10 | 108.6° | 109.4° |
| CAJ | CAK | H11 | 108.6° | 109.5° |
| CAK | CAN | CAW | 112.3° | 109.4° |
| CAN | CAK | H10 | 108.6° | 109.5° |
| CAN | CAK | H11 | 108.7° | 109.5° |
| CAK | CAN | H16 | 108.8° | 109.5° |
| CAK | CAN | H17 | 108.8° | 109.5° |
| CAN | CAW | CAO | 108.5° | 109.5° |
| CAN | CAW | OAE | 111.6° | 109.5° |
| CAW | CAN | H16 | 108.8° | 109.5° |
| CAW | CAN | H17 | 108.8° | 109.5° |
| CAN | CAW | H21 | 108.6° | 109.5° |
| CAO | CAW | OAE | 109.3° | 109.4° |
| CAW | CAO | CAL | 109.2° | 109.5° |
| CAW | CAO | H18 | 109.5° | 109.5° |
| CAW | CAO | H19 | 109.5° | 109.5° |
| CAO | CAW | H21 | 108.9° | 109.5° |
| OAE | CAW | H21 | 109.9° | 109.4° |
| CAW | OAE | H25 | 109.5° | 114.0° |
| CAO | CAL | CAM | 110.0° | 109.5° |
| CAO | CAL | H12 | 109.3° | 109.5° |
| CAO | CAL | H13 | 109.3° | 109.5° |
| CAL | CAO | H18 | 109.5° | 109.5° |
| CAL | CAO | H19 | 109.5° | 109.4° |
| CAA | CAV | CAM | 111.9° | 109.5° |
| CAA | CAV | OAV | 104.7° | 109.4° |
| CAV | CAA | H1 | 109.5° | 109.4° |
| CAV | CAA | H2 | 109.4° | 109.5° |
| CAV | CAA | H3 | 109.5° | 109.5° |
| CAA | CAV | H20 | 109.8° | 109.5° |
| CAM | CAV | OAV | 110.9° | 109.4° |
| CAV | CAM | CAL | 111.9° | 109.5° |
| CAV | CAM | H14 | 108.8° | 109.5° |
| CAV | CAM | H15 | 108.9° | 109.4° |
| CAM | CAV | H20 | 109.1° | 109.5° |
| OAV | CAV | H20 | 110.5° | 109.5° |
| CAV | OAV | H26 | 109.5° | 114.0° |
| CAM | CAL | H12 | 109.4° | 109.5° |
| CAM | CAL | H13 | 109.4° | 109.5° |
| CAL | CAM | H14 | 108.8° | 109.5° |
| CAL | CAM | H15 | 108.8° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.4° |
| H14 | CAM | H15 | 109.5° | 109.4° |
| H16 | CAN | H17 | 109.4° | 109.5° |
| H18 | CAO | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAQ | CAQ | OAB | CAU | 172.9° | 180.0° |
| OAQ | CAQ | CAU | CAS | 12.8° | 90.0° |
| OAQ | CAQ | CAU | CAT | 167.9° | 90.0° |
| OAQ | CAQ | OAB | H22 | 0.0° | 0.0° |
| OAD | CAS | CAU | CAQ | 1.6° | 0.0° |
| OAD | CAS | CAU | CAH | 177.5° | 180.0° |
| OAD | CAS | CAU | CAT | 179.2° | 180.0° |
| OAD | CAS | CAH | CAR | 176.4° | 180.0° |
| OAD | CAS | CAH | H6 | 3.6° | 0.2° |
| OAB | CAQ | CAU | CAS | 160.8° | 90.0° |
| OAB | CAQ | CAU | CAT | 18.4° | 90.0° |
| CAQ | CAU | CAS | CAT | 179.2° | 180.0° |
| CAQ | CAU | CAS | CAH | 179.0° | 180.0° |
| CAQ | CAU | CAT | CAG | 7.1° | 0.2° |
| CAQ | CAU | CAT | CAI | 175.9° | 179.8° |
| CAU | CAQ | OAB | H22 | 172.8° | 179.9° |
| CAU | CAS | CAH | CAR | 1.3° | 0.0° |
| CAS | CAU | CAT | CAG | 173.7° | 179.7° |
| CAS | CAU | CAT | CAI | 4.9° | 0.2° |
| CAU | CAS | CAH | H6 | 178.7° | 179.8° |
| CAU | CAS | OAD | H24 | 4.6° | 90.0° |
| CAH | CAS | CAU | CAT | 1.8° | 0.0° |
| CAS | CAH | CAR | H6 | 180.0° | 179.8° |
| CAS | CAH | CAR | CAI | 0.8° | 0.3° |
| CAS | CAH | CAR | OAC | 176.2° | 179.8° |
| CAH | CAS | OAD | H24 | 172.9° | 90.0° |
| CAU | CAT | CAG | CAI | 168.4° | 180.0° |
| CAU | CAT | CAI | CAR | 5.2° | 0.5° |
| CAU | CAT | CAG | CAF | 136.5° | 179.9° |
| CAU | CAT | CAG | H5 | 43.5° | 0.0° |
| CAU | CAT | CAI | H7 | 174.8° | 180.0° |
| CAH | CAR | CAI | CAT | 2.5° | 0.5° |
| CAH | CAR | CAI | OAC | 177.1° | 180.0° |
| CAH | CAR | CAI | H7 | 177.5° | 179.9° |
| CAH | CAR | OAC | H23 | 180.0° | 90.0° |
| CAG | CAT | CAI | CAR | 174.5° | 179.5° |
| CAT | CAG | CAF | H5 | 180.0° | 179.9° |
| CAT | CAG | CAF | CAJ | 177.7° | 180.0° |
| CAT | CAG | CAF | H4 | 2.3° | 0.1° |
| CAG | CAT | CAI | H7 | 5.5° | 0.1° |
| CAT | CAI | CAR | H7 | 180.0° | 179.5° |
| CAT | CAI | CAR | OAC | 179.6° | 179.5° |
| CAI | CAT | CAG | CAF | 31.9° | 0.0° |
| CAI | CAT | CAG | H5 | 148.1° | 180.0° |
| CAI | CAR | CAH | H6 | 179.2° | 179.9° |
| CAI | CAR | OAC | H23 | 3.0° | 90.0° |
| OAC | CAR | CAH | H6 | 3.7° | 0.0° |
| OAC | CAR | CAI | H7 | 0.4° | 0.0° |
| CAG | CAF | CAJ | H4 | 180.0° | 180.0° |
| CAG | CAF | CAJ | CAK | 145.2° | 125.0° |
| CAG | CAF | CAJ | H8 | 25.9° | 115.1° |
| CAG | CAF | CAJ | H9 | 95.6° | 5.0° |
| CAF | CAJ | CAK | H8 | 119.3° | 120.0° |
| CAF | CAJ | CAK | H9 | 119.2° | 120.0° |
| CAF | CAJ | CAK | CAN | 63.7° | 180.0° |
| CAJ | CAF | CAG | H5 | 2.3° | 0.0° |
| CAF | CAJ | H8 | H9 | 122.2° | 120.1° |
| CAF | CAJ | CAK | H10 | 175.8° | 60.0° |
| CAF | CAJ | CAK | H11 | 56.8° | 60.0° |
| CAJ | CAK | CAN | H10 | 120.5° | 120.0° |
| CAJ | CAK | CAN | H11 | 120.5° | 120.0° |
| CAJ | CAK | CAN | CAW | 170.1° | 180.0° |
| CAK | CAJ | CAF | H4 | 34.8° | 55.0° |
| CAK | CAJ | H8 | H9 | 122.1° | 119.9° |
| CAJ | CAK | H10 | H11 | 118.4° | 120.0° |
| CAJ | CAK | CAN | H16 | 49.7° | 60.0° |
| CAJ | CAK | CAN | H17 | 69.5° | 60.0° |
| CAK | CAN | CAW | H16 | 120.4° | 120.0° |
| CAK | CAN | CAW | H17 | 120.4° | 120.0° |
| CAK | CAN | CAW | CAO | 176.5° | 175.0° |
| CAK | CAN | CAW | OAE | 62.9° | 65.0° |
| CAN | CAK | CAJ | H8 | 55.5° | 60.0° |
| CAN | CAK | CAJ | H9 | 177.0° | 60.0° |
| CAN | CAK | H10 | H11 | 118.5° | 120.0° |
| CAK | CAN | H16 | H17 | 118.7° | 120.0° |
| CAK | CAN | CAW | H21 | 58.3° | 55.0° |
| CAN | CAW | CAO | OAE | 121.9° | 120.0° |
| CAN | CAW | CAO | H21 | 118.0° | 120.1° |
| CAN | CAW | OAE | H21 | 120.5° | 120.1° |
| CAN | CAW | CAO | CAL | 169.9° | 175.0° |
| CAW | CAN | CAK | H10 | 69.4° | 60.0° |
| CAW | CAN | CAK | H11 | 49.6° | 60.0° |
| CAW | CAN | H16 | H17 | 118.7° | 120.0° |
| CAN | CAW | CAO | H18 | 70.2° | 65.0° |
| CAN | CAW | CAO | H19 | 49.9° | 55.1° |
| CAN | CAW | OAE | H25 | 180.0° | 59.9° |
| CAO | CAW | OAE | H21 | 119.5° | 120.0° |
| CAW | CAO | CAL | H18 | 119.9° | 120.0° |
| CAW | CAO | CAL | H19 | 119.9° | 120.0° |
| CAW | CAO | CAL | CAM | 176.8° | 180.0° |
| CAW | CAO | CAL | H12 | 56.7° | 60.0° |
| CAW | CAO | CAL | H13 | 63.1° | 60.0° |
| CAO | CAW | CAN | H16 | 56.1° | 55.0° |
| CAO | CAW | CAN | H17 | 63.0° | 65.0° |
| CAW | CAO | H18 | H19 | 120.1° | 120.0° |
| CAO | CAW | OAE | H25 | 60.0° | 60.1° |
| OAE | CAW | CAO | CAL | 48.0° | 65.0° |
| OAE | CAW | CAN | H16 | 176.6° | 175.0° |
| OAE | CAW | CAN | H17 | 57.5° | 55.0° |
| OAE | CAW | CAO | H18 | 167.9° | 55.0° |
| OAE | CAW | CAO | H19 | 72.0° | 175.1° |
| CAO | CAL | CAM | CAV | 55.4° | 180.0° |
| CAO | CAL | CAM | H12 | 120.1° | 120.0° |
| CAO | CAL | CAM | H13 | 120.1° | 120.0° |
| CAO | CAL | H12 | H13 | 119.7° | 120.0° |
| CAO | CAL | CAM | H14 | 64.9° | 60.0° |
| CAO | CAL | CAM | H15 | 175.8° | 60.0° |
| CAL | CAO | H18 | H19 | 120.1° | 120.0° |
| CAL | CAO | CAW | H21 | 72.1° | 55.0° |
| CAA | CAV | CAM | OAV | 116.4° | 119.9° |
| CAA | CAV | CAM | H20 | 121.7° | 120.1° |
| CAA | CAV | OAV | H20 | 118.2° | 120.0° |
| CAA | CAV | CAM | CAL | 174.7° | 175.0° |
| CAV | CAA | H1 | H2 | 120.0° | 120.0° |
| CAV | CAA | H1 | H3 | 120.0° | 120.0° |
| CAV | CAA | H2 | H3 | 119.9° | 120.1° |
| CAA | CAV | CAM | H14 | 54.3° | 64.9° |
| CAA | CAV | CAM | H15 | 65.0° | 55.0° |
| CAA | CAV | OAV | H26 | 180.0° | 60.0° |
| CAM | CAV | OAV | H20 | 121.0° | 120.0° |
| CAV | CAM | CAL | H14 | 120.3° | 120.1° |
| CAV | CAM | CAL | H15 | 120.4° | 120.0° |
| CAM | CAV | CAA | H1 | 180.0° | 60.0° |
| CAM | CAV | CAA | H2 | 60.0° | 180.0° |
| CAM | CAV | CAA | H3 | 60.0° | 59.9° |
| CAV | CAM | CAL | H12 | 64.7° | 60.0° |
| CAV | CAM | CAL | H13 | 175.5° | 59.9° |
| CAV | CAM | H14 | H15 | 118.9° | 119.9° |
| CAM | CAV | OAV | H26 | 59.2° | 60.0° |
| OAV | CAV | CAM | CAL | 68.9° | 65.0° |
| OAV | CAV | CAA | H1 | 59.9° | 180.0° |
| OAV | CAV | CAA | H2 | 60.2° | 60.1° |
| OAV | CAV | CAA | H3 | 179.9° | 60.0° |
| OAV | CAV | CAM | H14 | 170.8° | 55.0° |
| OAV | CAV | CAM | H15 | 51.5° | 175.0° |
| CAM | CAL | H12 | H13 | 119.8° | 120.0° |
| CAL | CAM | H14 | H15 | 118.9° | 120.0° |
| CAM | CAL | CAO | H18 | 63.3° | 60.0° |
| CAM | CAL | CAO | H19 | 56.8° | 60.0° |
| CAL | CAM | CAV | H20 | 53.0° | 54.9° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAV | H20 | 58.7° | 60.0° |
| H2 | CAA | CAV | H20 | 178.8° | 59.9° |
| H3 | CAA | CAV | H20 | 61.3° | 180.0° |
| H4 | CAF | CAG | H5 | 177.7° | 180.0° |
| H4 | CAF | CAJ | H8 | 154.0° | 65.0° |
| H4 | CAF | CAJ | H9 | 84.5° | 175.0° |
| H8 | CAJ | CAK | H10 | 65.0° | 180.0° |
| H8 | CAJ | CAK | H11 | 176.1° | 60.0° |
| H9 | CAJ | CAK | H10 | 56.5° | 60.0° |
| H9 | CAJ | CAK | H11 | 62.4° | 180.0° |
| H10 | CAK | CAN | H16 | 170.2° | 180.0° |
| H10 | CAK | CAN | H17 | 51.0° | 60.0° |
| H11 | CAK | CAN | H16 | 70.8° | 60.0° |
| H11 | CAK | CAN | H17 | 170.0° | 180.0° |
| H12 | CAL | CAM | H14 | 175.0° | 60.0° |
| H12 | CAL | CAM | H15 | 55.7° | 180.0° |
| H12 | CAL | CAO | H18 | 176.6° | 180.0° |
| H12 | CAL | CAO | H19 | 63.3° | 60.0° |
| H13 | CAL | CAM | H14 | 55.1° | 180.0° |
| H13 | CAL | CAM | H15 | 64.1° | 60.0° |
| H13 | CAL | CAO | H18 | 56.8° | 60.0° |
| H13 | CAL | CAO | H19 | 176.9° | 179.9° |
| H14 | CAM | CAV | H20 | 67.4° | 175.0° |
| H15 | CAM | CAV | H20 | 173.3° | 65.1° |
| H16 | CAN | CAW | H21 | 62.1° | 65.0° |
| H17 | CAN | CAW | H21 | 178.7° | 175.0° |
| H18 | CAO | CAW | H21 | 47.8° | 175.0° |
| H19 | CAO | CAW | H21 | 167.9° | 65.0° |
| H20 | CAV | OAV | H26 | 61.8° | 179.9° |
| H21 | CAW | OAE | H25 | 59.5° | 180.0° |
