C3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAQ | doub | 1.22Å | 1.31Å | |
| OAD | CAS | sing | 1.36Å | 1.31Å | |
| CAQ | OAP | sing | 1.35Å | 1.23Å | |
| CAQ | CAU | sing | 1.47Å | 1.47Å | |
| CAS | CAU | doub | 1.40Å | 1.35Å | Aromatic |
| CAS | CAH | sing | 1.38Å | 1.36Å | Aromatic |
| CAU | CAT | sing | 1.41Å | 1.33Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAG | sing | 1.48Å | 1.49Å | |
| CAT | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| OAV | CAV | sing | 1.43Å | 1.48Å | |
| CAR | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | OAC | sing | 1.36Å | 1.36Å | |
| CAG | CAF | doub | 1.33Å | 1.35Å | |
| CAA | CAV | sing | 1.53Å | 1.52Å | |
| CAV | CAM | sing | 1.53Å | 1.54Å | |
| CAF | CAJ | sing | 1.51Å | 1.51Å | |
| CAM | CAL | sing | 1.53Å | 1.56Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAO | CAL | sing | 1.53Å | 1.56Å | |
| CAO | CAW | sing | 1.53Å | 1.58Å | |
| CAW | CAN | sing | 1.53Å | 1.54Å | |
| CAW | OAE | sing | 1.43Å | 1.42Å | |
| CAK | CAN | 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 | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| CAV | H18 | sing | 1.09Å | 1.10Å | |
| CAW | H19 | sing | 1.09Å | 1.10Å | |
| OAC | H20 | sing | 0.97Å | 0.95Å | |
| OAD | H21 | sing | 0.97Å | 0.95Å | |
| OAE | H22 | sing | 0.97Å | 0.95Å | |
| OAP | H23 | sing | 0.97Å | 0.95Å | |
| OAV | H24 | sing | 0.97Å | 0.95Å | |
| CAM | H25 | sing | 1.09Å | 1.10Å | |
| CAL | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAQ | OAP | 128.2° | 120.0° |
| OAB | CAQ | CAU | 121.7° | 120.0° |
| OAD | CAS | CAU | 121.1° | 120.1° |
| OAD | CAS | CAH | 116.2° | 120.0° |
| CAS | OAD | H21 | 109.5° | 114.0° |
| OAP | CAQ | CAU | 109.8° | 120.0° |
| CAQ | OAP | H23 | 109.5° | 117.0° |
| CAQ | CAU | CAS | 114.8° | 120.2° |
| CAQ | CAU | CAT | 122.4° | 120.2° |
| CAU | CAS | CAH | 122.6° | 119.9° |
| CAS | CAU | CAT | 122.7° | 119.5° |
| CAS | CAH | CAR | 117.3° | 120.3° |
| CAS | CAH | H6 | 121.4° | 119.8° |
| CAU | CAT | CAG | 123.1° | 120.2° |
| CAU | CAT | CAI | 117.0° | 119.7° |
| CAH | CAR | CAI | 119.5° | 120.5° |
| CAH | CAR | OAC | 120.7° | 119.8° |
| CAR | CAH | H6 | 121.4° | 119.9° |
| CAG | CAT | CAI | 119.3° | 120.1° |
| CAT | CAG | CAF | 116.6° | 120.0° |
| CAT | CAG | H5 | 121.7° | 120.0° |
| CAT | CAI | CAR | 120.8° | 120.1° |
| CAT | CAI | H7 | 119.6° | 120.0° |
| OAV | CAV | CAA | 94.4° | 109.5° |
| OAV | CAV | CAM | 117.1° | 109.5° |
| OAV | CAV | H18 | 108.6° | 109.5° |
| CAV | OAV | H24 | 109.5° | 114.0° |
| CAI | CAR | OAC | 119.5° | 119.8° |
| CAR | CAI | H7 | 119.6° | 119.9° |
| CAR | OAC | H20 | 109.5° | 114.0° |
| CAG | CAF | CAJ | 121.9° | 120.0° |
| CAG | CAF | H4 | 119.0° | 120.0° |
| CAF | CAG | H5 | 121.7° | 120.0° |
| CAA | CAV | CAM | 119.9° | 109.5° |
| CAV | CAA | H1 | 109.5° | 109.5° |
| CAV | CAA | H2 | 109.5° | 109.5° |
| CAV | CAA | H3 | 109.4° | 109.5° |
| CAA | CAV | H18 | 108.1° | 109.5° |
| CAV | CAM | CAL | 123.2° | 109.5° |
| CAV | CAM | H13 | 105.9° | 109.4° |
| CAM | CAV | H18 | 107.8° | 109.4° |
| CAV | CAM | H25 | 105.9° | 109.4° |
| CAF | CAJ | CAK | 105.3° | 109.5° |
| CAJ | CAF | H4 | 119.1° | 120.0° |
| CAF | CAJ | H8 | 110.5° | 109.4° |
| CAF | CAJ | H9 | 110.5° | 109.5° |
| CAM | CAL | CAO | 116.9° | 109.5° |
| CAM | CAL | H12 | 107.6° | 109.5° |
| CAL | CAM | H13 | 105.9° | 109.5° |
| CAL | CAM | H25 | 105.9° | 109.5° |
| CAM | CAL | H26 | 107.6° | 109.5° |
| CAJ | CAK | CAN | 113.4° | 109.5° |
| CAK | CAJ | H8 | 110.5° | 109.5° |
| CAK | CAJ | H9 | 110.5° | 109.5° |
| CAJ | CAK | H10 | 108.5° | 109.5° |
| CAJ | CAK | H11 | 108.5° | 109.5° |
| CAL | CAO | CAW | 124.7° | 109.5° |
| CAO | CAL | H12 | 107.6° | 109.5° |
| CAL | CAO | H16 | 105.5° | 109.4° |
| CAL | CAO | H17 | 105.6° | 109.4° |
| CAO | CAL | H26 | 107.6° | 109.4° |
| CAO | CAW | CAN | 111.3° | 109.5° |
| CAO | CAW | OAE | 117.4° | 109.5° |
| CAW | CAO | H16 | 105.5° | 109.5° |
| CAW | CAO | H17 | 105.5° | 109.5° |
| CAO | CAW | H19 | 107.8° | 109.5° |
| CAN | CAW | OAE | 102.1° | 109.5° |
| CAW | CAN | CAK | 116.7° | 109.5° |
| CAW | CAN | H14 | 107.6° | 109.4° |
| CAW | CAN | H15 | 107.6° | 109.5° |
| CAN | CAW | H19 | 108.2° | 109.4° |
| OAE | CAW | H19 | 109.8° | 109.5° |
| CAW | OAE | H22 | 109.5° | 114.0° |
| CAN | CAK | H10 | 108.5° | 109.5° |
| CAN | CAK | H11 | 108.5° | 109.4° |
| CAK | CAN | H14 | 107.6° | 109.5° |
| CAK | CAN | H15 | 107.6° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
| H10 | CAK | H11 | 109.5° | 109.5° |
| H12 | CAL | H26 | 109.5° | 109.4° |
| H13 | CAM | H25 | 109.5° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAQ | OAP | CAU | 173.6° | 180.0° |
| OAB | CAQ | CAU | CAS | 19.3° | 90.0° |
| OAB | CAQ | CAU | CAT | 157.7° | 90.0° |
| OAB | CAQ | OAP | H23 | 0.0° | 0.0° |
| OAD | CAS | CAU | CAQ | 0.4° | 0.0° |
| OAD | CAS | CAU | CAH | 176.6° | 180.0° |
| OAD | CAS | CAU | CAT | 176.7° | 180.0° |
| OAD | CAS | CAH | CAR | 176.5° | 180.0° |
| OAD | CAS | CAH | H6 | 3.5° | 0.3° |
| OAP | CAQ | CAU | CAS | 166.6° | 90.0° |
| OAP | CAQ | CAU | CAT | 16.4° | 90.0° |
| CAQ | CAU | CAS | CAT | 177.0° | 180.0° |
| CAQ | CAU | CAS | CAH | 177.0° | 180.0° |
| CAQ | CAU | CAT | CAG | 3.0° | 0.3° |
| CAQ | CAU | CAT | CAI | 174.7° | 179.8° |
| CAU | CAQ | OAP | H23 | 173.6° | 180.0° |
| CAU | CAS | CAH | CAR | 0.3° | 0.0° |
| CAS | CAU | CAT | CAG | 173.8° | 179.7° |
| CAS | CAU | CAT | CAI | 2.1° | 0.2° |
| CAU | CAS | CAH | H6 | 179.8° | 179.7° |
| CAU | CAS | OAD | H21 | 8.5° | 90.0° |
| CAH | CAS | CAU | CAT | 0.0° | 0.0° |
| CAS | CAH | CAR | H6 | 180.0° | 179.7° |
| CAS | CAH | CAR | CAI | 1.6° | 0.2° |
| CAS | CAH | CAR | OAC | 176.0° | 179.8° |
| CAH | CAS | OAD | H21 | 168.3° | 90.0° |
| CAU | CAT | CAG | CAI | 171.5° | 179.9° |
| CAU | CAT | CAI | CAR | 4.0° | 0.4° |
| CAU | CAT | CAG | CAF | 139.6° | 180.0° |
| CAU | CAT | CAG | H5 | 40.3° | 0.0° |
| CAU | CAT | CAI | H7 | 176.0° | 180.0° |
| CAH | CAR | CAI | CAT | 3.8° | 0.4° |
| CAH | CAR | CAI | OAC | 174.5° | 180.0° |
| CAH | CAR | CAI | H7 | 176.2° | 180.0° |
| CAH | CAR | OAC | H20 | 180.0° | 90.0° |
| CAG | CAT | CAI | CAR | 176.0° | 179.5° |
| CAT | CAG | CAF | H5 | 180.0° | 180.0° |
| CAT | CAG | CAF | CAJ | 179.0° | 179.9° |
| CAT | CAG | CAF | H4 | 1.0° | 0.0° |
| CAG | CAT | CAI | H7 | 4.0° | 0.1° |
| CAT | CAI | CAR | H7 | 180.0° | 179.6° |
| CAT | CAI | CAR | OAC | 178.3° | 179.5° |
| CAI | CAT | CAG | CAF | 31.8° | 0.0° |
| CAI | CAT | CAG | H5 | 148.2° | 180.0° |
| OAV | CAV | CAA | CAM | 124.8° | 120.0° |
| OAV | CAV | CAA | H18 | 111.2° | 120.0° |
| OAV | CAV | CAM | H18 | 122.7° | 120.0° |
| OAV | CAV | CAM | CAL | 163.4° | 64.9° |
| OAV | CAV | CAA | H1 | 180.0° | 180.0° |
| OAV | CAV | CAA | H2 | 60.0° | 60.0° |
| OAV | CAV | CAA | H3 | 60.0° | 60.1° |
| OAV | CAV | CAM | H13 | 41.5° | 55.1° |
| OAV | CAV | CAM | H25 | 74.7° | 175.0° |
| CAI | CAR | CAH | H6 | 178.4° | 180.0° |
| CAI | CAR | OAC | H20 | 5.6° | 90.0° |
| OAC | CAR | CAH | H6 | 3.9° | 0.0° |
| OAC | CAR | CAI | H7 | 1.7° | 0.0° |
| CAG | CAF | CAJ | H4 | 180.0° | 179.9° |
| CAG | CAF | CAJ | CAK | 129.8° | 125.0° |
| CAG | CAF | CAJ | H8 | 10.5° | 115.0° |
| CAG | CAF | CAJ | H9 | 110.8° | 4.9° |
| CAA | CAV | CAM | H18 | 124.1° | 120.0° |
| CAA | CAV | CAM | CAL | 50.3° | 175.0° |
| CAV | CAA | H1 | H2 | 120.0° | 120.0° |
| CAV | CAA | H1 | H3 | 120.0° | 120.0° |
| CAV | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAV | CAM | H13 | 71.6° | 65.0° |
| CAA | CAV | OAV | H24 | 180.0° | 60.1° |
| CAA | CAV | CAM | H25 | 172.1° | 55.0° |
| CAV | CAM | CAL | H13 | 121.9° | 120.0° |
| CAV | CAM | CAL | H25 | 121.8° | 120.0° |
| CAV | CAM | CAL | CAO | 5.2° | 180.0° |
| CAM | CAV | CAA | H1 | 55.2° | 59.9° |
| CAM | CAV | CAA | H2 | 175.2° | 180.0° |
| CAM | CAV | CAA | H3 | 64.8° | 60.0° |
| CAV | CAM | CAL | H12 | 115.9° | 60.0° |
| CAV | CAM | H13 | H25 | 113.8° | 119.9° |
| CAM | CAV | OAV | H24 | 53.1° | 60.0° |
| CAV | CAM | CAL | H26 | 126.2° | 60.0° |
| CAF | CAJ | CAK | H8 | 119.3° | 119.9° |
| CAF | CAJ | CAK | H9 | 119.3° | 120.1° |
| CAF | CAJ | CAK | CAN | 41.6° | 179.9° |
| CAJ | CAF | CAG | H5 | 1.1° | 0.1° |
| CAF | CAJ | H8 | H9 | 122.0° | 120.0° |
| CAF | CAJ | CAK | H10 | 162.2° | 60.0° |
| CAF | CAJ | CAK | H11 | 79.0° | 60.0° |
| CAM | CAL | CAO | H12 | 121.1° | 120.1° |
| CAM | CAL | CAO | H26 | 121.1° | 120.0° |
| CAM | CAL | CAO | CAW | 168.4° | 180.0° |
| CAM | CAL | H12 | H26 | 116.6° | 120.0° |
| CAL | CAM | H13 | H25 | 113.8° | 120.0° |
| CAM | CAL | CAO | H16 | 46.3° | 60.0° |
| CAM | CAL | CAO | H17 | 69.6° | 60.0° |
| CAL | CAM | CAV | H18 | 73.9° | 55.0° |
| CAJ | CAK | CAN | CAW | 72.2° | NaN° |
| CAJ | CAK | CAN | H10 | 120.6° | 120.0° |
| CAJ | CAK | CAN | H11 | 120.6° | 120.0° |
| CAK | CAJ | CAF | H4 | 50.2° | 54.9° |
| CAK | CAJ | H8 | H9 | 121.9° | 120.0° |
| CAJ | CAK | H10 | H11 | 118.2° | 120.0° |
| CAJ | CAK | CAN | H14 | 48.9° | 60.0° |
| CAJ | CAK | CAN | H15 | 166.8° | 60.0° |
| CAL | CAO | CAW | H16 | 122.1° | 120.0° |
| CAL | CAO | CAW | H17 | 122.1° | 120.0° |
| CAL | CAO | CAW | CAN | 122.1° | 175.0° |
| CAL | CAO | CAW | OAE | 5.0° | 65.0° |
| CAO | CAL | H12 | H26 | 116.6° | 119.9° |
| CAO | CAL | CAM | H13 | 127.0° | 60.0° |
| CAL | CAO | H16 | H17 | 113.2° | 119.9° |
| CAL | CAO | CAW | H19 | 119.5° | 55.0° |
| CAO | CAL | CAM | H25 | 116.7° | 60.0° |
| CAO | CAW | CAN | OAE | 126.0° | 120.0° |
| CAO | CAW | CAN | H19 | 118.2° | 120.0° |
| CAO | CAW | OAE | H19 | 123.5° | 120.0° |
| CAO | CAW | CAN | CAK | 138.1° | 175.0° |
| CAW | CAO | CAL | H12 | 70.5° | 59.9° |
| CAO | CAW | CAN | H14 | 17.0° | 65.0° |
| CAO | CAW | CAN | H15 | 100.9° | 55.0° |
| CAW | CAO | H16 | H17 | 113.1° | 120.0° |
| CAO | CAW | OAE | H22 | 180.0° | 60.0° |
| CAW | CAO | CAL | H26 | 47.3° | 60.0° |
| CAN | CAW | OAE | H19 | 114.5° | 120.0° |
| CAW | CAN | CAK | H14 | 121.0° | 120.0° |
| CAW | CAN | CAK | H15 | 121.0° | 120.0° |
| CAW | CAN | CAK | H10 | 48.4° | 60.0° |
| CAW | CAN | CAK | H11 | 167.3° | 60.0° |
| CAW | CAN | H14 | H15 | 116.7° | 120.0° |
| CAN | CAW | CAO | H16 | 115.8° | 55.0° |
| CAN | CAW | CAO | H17 | 0.0° | 65.0° |
| CAN | CAW | OAE | H22 | 58.0° | 60.0° |
| OAE | CAW | CAN | CAK | 95.9° | 65.0° |
| OAE | CAW | CAN | H14 | 143.1° | 55.0° |
| OAE | CAW | CAN | H15 | 25.1° | 175.0° |
| OAE | CAW | CAO | H16 | 127.1° | 175.0° |
| OAE | CAW | CAO | H17 | 117.1° | 55.0° |
| CAN | CAK | CAJ | H8 | 77.7° | 60.0° |
| CAN | CAK | CAJ | H9 | 160.9° | 60.0° |
| CAN | CAK | H10 | H11 | 118.2° | 120.0° |
| CAK | CAN | H14 | H15 | 116.7° | 120.0° |
| CAK | CAN | CAW | H19 | 19.8° | 55.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAV | H18 | 68.8° | 60.0° |
| H2 | CAA | CAV | H18 | 51.2° | 60.1° |
| H3 | CAA | CAV | H18 | 171.2° | 179.9° |
| H4 | CAF | CAG | H5 | 179.0° | 179.9° |
| H4 | CAF | CAJ | H8 | 169.5° | 65.1° |
| H4 | CAF | CAJ | H9 | 69.2° | 175.0° |
| H8 | CAJ | CAK | H10 | 42.8° | 179.9° |
| H8 | CAJ | CAK | H11 | 161.7° | 60.0° |
| H9 | CAJ | CAK | H10 | 78.5° | 60.1° |
| H9 | CAJ | CAK | H11 | 40.4° | 180.0° |
| H10 | CAK | CAN | H14 | 169.5° | 179.9° |
| H10 | CAK | CAN | H15 | 72.6° | 60.0° |
| H11 | CAK | CAN | H14 | 71.7° | 59.9° |
| H11 | CAK | CAN | H15 | 46.3° | 180.0° |
| H12 | CAL | CAM | H13 | 6.0° | 60.0° |
| H12 | CAL | CAO | H16 | 167.4° | 180.0° |
| H12 | CAL | CAO | H17 | 51.5° | 60.1° |
| H12 | CAL | CAM | H25 | 122.2° | 179.9° |
| H13 | CAM | CAV | H18 | 164.3° | 175.0° |
| H13 | CAM | CAL | H26 | 111.9° | 180.0° |
| H14 | CAN | CAW | H19 | 101.2° | 175.0° |
| H15 | CAN | CAW | H19 | 140.9° | 65.0° |
| H16 | CAO | CAW | H19 | 2.6° | 64.9° |
| H16 | CAO | CAL | H26 | 74.8° | 60.0° |
| H17 | CAO | CAW | H19 | 118.5° | 175.0° |
| H17 | CAO | CAL | H26 | 169.3° | 180.0° |
| H18 | CAV | OAV | H24 | 69.3° | 179.9° |
| H18 | CAV | CAM | H25 | 48.0° | 65.0° |
| H19 | CAW | OAE | H22 | 56.5° | 180.0° |
| H25 | CAM | CAL | H26 | 4.4° | 60.0° |
