16L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAV | sing | 1.36Å | 1.38Å | |
| CAC | CAR | sing | 1.51Å | 1.45Å | |
| CAV | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAV | CAQ | sing | 1.39Å | 1.41Å | Aromatic |
| CAB | CAQ | sing | 1.51Å | 1.46Å | |
| CAR | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAT | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAH | sing | 1.47Å | 1.41Å | |
| CAH | CAG | doub | 1.34Å | 1.56Å | |
| CAG | CAS | sing | 1.47Å | 1.41Å | |
| CAS | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAN | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| OAD | CAP | doub | 1.22Å | 1.23Å | |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAK | sing | 1.39Å | 1.38Å | Aromatic |
| CAU | NAO | sing | 1.40Å | 1.33Å | |
| CAP | NAO | sing | 1.35Å | 1.33Å | |
| CAP | CAF | sing | 1.47Å | 1.54Å | |
| CAA | CAF | doub | 1.33Å | 1.52Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| OAE | H5 | sing | 0.97Å | 0.95Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| NAO | H16 | sing | 0.97Å | 1.00Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAA | H19 | sing | 1.08Å | 1.08Å | |
| CAA | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAV | CAR | 117.5° | 119.8° |
| OAE | CAV | CAQ | 118.8° | 119.9° |
| CAV | OAE | H5 | 109.5° | 114.0° |
| CAC | CAR | CAV | 122.3° | 120.0° |
| CAC | CAR | CAM | 120.8° | 120.0° |
| CAR | CAC | H6 | 109.5° | 109.5° |
| CAR | CAC | H7 | 109.5° | 109.5° |
| CAR | CAC | H8 | 109.5° | 109.5° |
| CAR | CAV | CAQ | 123.6° | 120.2° |
| CAV | CAR | CAM | 116.8° | 120.1° |
| CAV | CAQ | CAB | 123.3° | 120.0° |
| CAV | CAQ | CAL | 116.8° | 120.1° |
| CAB | CAQ | CAL | 119.9° | 119.9° |
| CAQ | CAB | H1 | 109.5° | 109.5° |
| CAQ | CAB | H2 | 109.4° | 109.4° |
| CAQ | CAB | H3 | 109.4° | 109.5° |
| CAR | CAM | CAT | 122.0° | 119.9° |
| CAR | CAM | H9 | 119.0° | 120.0° |
| CAQ | CAL | CAT | 122.0° | 119.9° |
| CAQ | CAL | H4 | 119.0° | 120.0° |
| CAM | CAT | CAL | 118.7° | 119.8° |
| CAM | CAT | CAH | 120.2° | 120.1° |
| CAT | CAM | H9 | 119.0° | 120.1° |
| CAL | CAT | CAH | 121.1° | 120.1° |
| CAT | CAL | H4 | 119.0° | 120.1° |
| CAT | CAH | CAG | 121.8° | 120.0° |
| CAT | CAH | H10 | 119.1° | 120.0° |
| CAH | CAG | CAS | 121.9° | 120.0° |
| CAG | CAH | H10 | 119.1° | 120.0° |
| CAH | CAG | H11 | 119.0° | 120.0° |
| CAG | CAS | CAJ | 119.2° | 120.1° |
| CAG | CAS | CAN | 122.3° | 120.1° |
| CAS | CAG | H11 | 119.1° | 120.0° |
| CAJ | CAS | CAN | 118.4° | 119.8° |
| CAS | CAJ | CAI | 121.1° | 120.0° |
| CAS | CAJ | H13 | 119.4° | 120.1° |
| CAS | CAN | CAU | 120.4° | 119.8° |
| CAS | CAN | H12 | 119.8° | 120.1° |
| CAJ | CAI | CAK | 120.2° | 120.2° |
| CAI | CAJ | H13 | 119.5° | 120.0° |
| CAJ | CAI | H14 | 119.9° | 119.9° |
| CAN | CAU | CAK | 119.5° | 120.0° |
| CAN | CAU | NAO | 125.0° | 120.0° |
| CAU | CAN | H12 | 119.8° | 120.1° |
| OAD | CAP | NAO | 123.6° | 120.0° |
| OAD | CAP | CAF | 122.1° | 120.0° |
| CAI | CAK | CAU | 120.3° | 120.3° |
| CAK | CAI | H14 | 119.9° | 119.9° |
| CAI | CAK | H15 | 119.8° | 119.9° |
| CAK | CAU | NAO | 115.5° | 120.0° |
| CAU | CAK | H15 | 119.8° | 119.8° |
| CAU | NAO | CAP | 119.4° | 120.0° |
| CAU | NAO | H16 | 120.3° | 120.0° |
| NAO | CAP | CAF | 114.3° | 120.0° |
| CAP | NAO | H16 | 120.3° | 120.0° |
| CAP | CAF | CAA | 120.2° | 120.0° |
| CAP | CAF | H17 | 119.9° | 120.0° |
| CAA | CAF | H17 | 119.9° | 120.0° |
| CAF | CAA | H19 | 120.0° | 120.0° |
| CAF | CAA | H20 | 120.0° | 120.0° |
| H1 | CAB | H2 | 109.5° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.4° | 109.5° |
| H6 | CAC | H8 | 109.4° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H19 | CAA | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAV | CAR | CAC | 1.4° | 0.0° |
| OAE | CAV | CAR | CAQ | 179.9° | 180.0° |
| OAE | CAV | CAQ | CAB | 1.5° | 0.0° |
| OAE | CAV | CAR | CAM | 179.4° | 180.0° |
| OAE | CAV | CAQ | CAL | 179.6° | 179.7° |
| CAC | CAR | CAV | CAM | 178.0° | 180.0° |
| CAC | CAR | CAV | CAQ | 178.7° | 180.0° |
| CAC | CAR | CAM | CAT | 179.1° | 179.7° |
| CAR | CAC | H6 | H7 | 120.0° | 120.0° |
| CAR | CAC | H6 | H8 | 120.0° | 120.0° |
| CAR | CAC | H7 | H8 | 120.0° | 120.1° |
| CAC | CAR | CAM | H9 | 0.9° | 0.1° |
| CAR | CAV | CAQ | CAB | 178.5° | 180.0° |
| CAR | CAV | CAQ | CAL | 0.3° | 0.3° |
| CAV | CAR | CAM | CAT | 1.0° | 0.3° |
| CAR | CAV | OAE | H5 | 180.0° | 90.0° |
| CAV | CAR | CAC | H6 | 91.1° | 90.0° |
| CAV | CAR | CAC | H7 | 149.0° | 150.0° |
| CAV | CAR | CAC | H8 | 28.9° | 29.9° |
| CAV | CAR | CAM | H9 | 179.0° | 180.0° |
| CAV | CAQ | CAB | CAL | 178.1° | 179.7° |
| CAQ | CAV | CAR | CAM | 0.7° | 0.0° |
| CAV | CAQ | CAL | CAT | 0.9° | 0.3° |
| CAV | CAQ | CAB | H1 | 91.0° | 90.3° |
| CAV | CAQ | CAB | H2 | 149.0° | 29.7° |
| CAV | CAQ | CAB | H3 | 29.0° | 149.7° |
| CAV | CAQ | CAL | H4 | 179.1° | 179.7° |
| CAQ | CAV | OAE | H5 | 0.1° | 90.0° |
| CAB | CAQ | CAL | CAT | 179.2° | 180.0° |
| CAQ | CAB | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAB | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | CAQ | CAL | H4 | 0.8° | 0.0° |
| CAR | CAM | CAT | H9 | 180.0° | 179.7° |
| CAR | CAM | CAT | CAL | 0.4° | 0.3° |
| CAR | CAM | CAT | CAH | 179.1° | 179.7° |
| CAM | CAR | CAC | H6 | 91.0° | 90.0° |
| CAM | CAR | CAC | H7 | 29.0° | 30.0° |
| CAM | CAR | CAC | H8 | 149.0° | 150.0° |
| CAQ | CAL | CAT | CAM | 0.6° | 0.0° |
| CAQ | CAL | CAT | H4 | 180.0° | 180.0° |
| CAQ | CAL | CAT | CAH | 179.8° | 179.9° |
| CAL | CAQ | CAB | H1 | 90.9° | 90.1° |
| CAL | CAQ | CAB | H2 | 29.1° | 150.0° |
| CAL | CAQ | CAB | H3 | 149.1° | 30.0° |
| CAM | CAT | CAL | CAH | 179.6° | 179.9° |
| CAM | CAT | CAH | CAG | 152.3° | 0.1° |
| CAM | CAT | CAL | H4 | 179.4° | 180.0° |
| CAM | CAT | CAH | H10 | 27.7° | 179.9° |
| CAL | CAT | CAH | CAG | 28.1° | 180.0° |
| CAL | CAT | CAM | H9 | 179.6° | 179.9° |
| CAL | CAT | CAH | H10 | 151.9° | 0.0° |
| CAT | CAH | CAG | H10 | 180.0° | 180.0° |
| CAT | CAH | CAG | CAS | 179.9° | 180.0° |
| CAH | CAT | CAL | H4 | 0.2° | 0.0° |
| CAH | CAT | CAM | H9 | 0.9° | 0.0° |
| CAT | CAH | CAG | H11 | 0.1° | 0.0° |
| CAH | CAG | CAS | H11 | 180.0° | 180.0° |
| CAH | CAG | CAS | CAJ | 8.9° | 0.0° |
| CAH | CAG | CAS | CAN | 172.4° | 179.7° |
| CAG | CAS | CAJ | CAN | 178.8° | 179.7° |
| CAG | CAS | CAJ | CAI | 178.8° | 180.0° |
| CAG | CAS | CAN | CAU | 180.0° | 180.0° |
| CAS | CAG | CAH | H10 | 0.1° | 0.0° |
| CAG | CAS | CAN | H12 | 0.0° | 0.1° |
| CAG | CAS | CAJ | H13 | 1.2° | 0.1° |
| CAS | CAJ | CAI | H13 | 180.0° | 179.9° |
| CAJ | CAS | CAN | CAU | 1.3° | 0.3° |
| CAS | CAJ | CAI | CAK | 0.5° | 0.0° |
| CAJ | CAS | CAG | H11 | 171.1° | 180.0° |
| CAJ | CAS | CAN | H12 | 178.7° | 179.8° |
| CAS | CAJ | CAI | H14 | 179.5° | 179.9° |
| CAN | CAS | CAJ | CAI | 0.0° | 0.3° |
| CAS | CAN | CAU | H12 | 180.0° | 179.9° |
| CAS | CAN | CAU | CAK | 2.0° | 0.0° |
| CAS | CAN | CAU | NAO | 179.5° | 180.0° |
| CAN | CAS | CAG | H11 | 7.6° | 0.3° |
| CAN | CAS | CAJ | H13 | 180.0° | 179.6° |
| CAJ | CAI | CAK | H14 | 180.0° | 179.9° |
| CAJ | CAI | CAK | CAU | 0.2° | 0.2° |
| CAJ | CAI | CAK | H15 | 179.8° | 180.0° |
| CAN | CAU | CAK | CAI | 1.4° | 0.2° |
| CAN | CAU | CAK | NAO | 177.8° | 180.0° |
| CAN | CAU | NAO | CAP | 41.0° | 33.4° |
| CAN | CAU | CAK | H15 | 178.6° | 180.0° |
| CAN | CAU | NAO | H16 | 139.0° | 146.7° |
| OAD | CAP | NAO | CAU | 0.9° | 5.3° |
| OAD | CAP | NAO | CAF | 177.9° | 180.0° |
| OAD | CAP | CAF | CAA | 3.3° | 0.0° |
| OAD | CAP | NAO | H16 | 179.2° | 174.7° |
| OAD | CAP | CAF | H17 | 176.8° | 180.0° |
| CAI | CAK | CAU | H15 | 180.0° | 179.8° |
| CAI | CAK | CAU | NAO | 179.2° | 179.7° |
| CAK | CAI | CAJ | H13 | 179.5° | 179.9° |
| CAK | CAU | NAO | CAP | 141.3° | 146.6° |
| CAK | CAU | CAN | H12 | 178.0° | 180.0° |
| CAU | CAK | CAI | H14 | 179.8° | 179.7° |
| CAK | CAU | NAO | H16 | 38.7° | 33.4° |
| CAU | NAO | CAP | H16 | 180.0° | 180.0° |
| CAU | NAO | CAP | CAF | 178.7° | 174.7° |
| NAO | CAU | CAN | H12 | 0.5° | 0.1° |
| NAO | CAU | CAK | H15 | 0.8° | 0.0° |
| NAO | CAP | CAF | CAA | 178.8° | 180.0° |
| NAO | CAP | CAF | H17 | 1.2° | 0.0° |
| CAP | CAF | CAA | H17 | 180.0° | 180.0° |
| CAF | CAP | NAO | H16 | 1.3° | 5.3° |
| CAP | CAF | CAA | H19 | 180.0° | 180.0° |
| CAP | CAF | CAA | H20 | 0.0° | 0.0° |
| CAF | CAA | H19 | H20 | 180.0° | 180.0° |
| H1 | CAB | H2 | H3 | 120.0° | 120.1° |
| H6 | CAC | H7 | H8 | 120.0° | 119.9° |
| H10 | CAH | CAG | H11 | 179.9° | 180.0° |
| H13 | CAJ | CAI | H14 | 0.5° | 0.0° |
| H14 | CAI | CAK | H15 | 0.2° | 0.1° |
| H17 | CAF | CAA | H19 | 0.0° | 0.0° |
| H17 | CAF | CAA | H20 | 179.9° | 180.0° |
