DC3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAX | sing | 1.51Å | 1.40Å | |
| CAX | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAY | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAT | CAQ | sing | 1.48Å | 1.34Å | |
| NAR | CAQ | sing | 1.35Å | 1.33Å | Aromatic |
| NAR | NAS | doub | 1.29Å | 1.25Å | Aromatic |
| CAQ | CAP | doub | 1.36Å | 1.34Å | Aromatic |
| NAS | NAO | sing | 1.29Å | 1.30Å | Aromatic |
| CAP | NAO | sing | 1.35Å | 1.33Å | Aromatic |
| NAO | CAN | sing | 1.46Å | 1.48Å | |
| CAN | CAL | sing | 1.53Å | 1.54Å | |
| CAL | CAK | sing | 1.53Å | 1.52Å | |
| CAK | CAJ | sing | 1.53Å | 1.55Å | |
| CAK | NAM | sing | 1.47Å | 1.46Å | |
| CAJ | CAD | sing | 1.51Å | 1.39Å | |
| CAC | CAD | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.38Å | Aromatic |
| FAI | CAB | sing | 1.35Å | 1.31Å | |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | FAG | sing | 1.35Å | 1.29Å | |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | FAH | sing | 1.35Å | 1.36Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| NAM | H6 | sing | 1.01Å | 1.00Å | |
| NAM | H7 | sing | 1.01Å | 1.00Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAY | H14 | sing | 1.08Å | 1.08Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| CAZ | H17 | sing | 1.09Å | 1.10Å | |
| CAW | H18 | sing | 1.08Å | 1.08Å | |
| CAV | H19 | sing | 1.08Å | 1.08Å | |
| CAU | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAW | CAX | 120.9° | 120.2° |
| CAW | CAV | CAU | 120.5° | 120.1° |
| CAV | CAW | H18 | 119.5° | 119.9° |
| CAW | CAV | H19 | 119.8° | 119.9° |
| CAW | CAX | CAZ | 122.7° | 119.9° |
| CAW | CAX | CAY | 118.0° | 120.1° |
| CAX | CAW | H18 | 119.5° | 119.9° |
| CAV | CAU | CAT | 119.1° | 119.9° |
| CAU | CAV | H19 | 119.7° | 120.0° |
| CAV | CAU | H20 | 120.5° | 120.1° |
| CAZ | CAX | CAY | 119.3° | 119.9° |
| CAX | CAZ | H15 | 109.5° | 109.4° |
| CAX | CAZ | H16 | 109.5° | 109.5° |
| CAX | CAZ | H17 | 109.4° | 109.5° |
| CAX | CAY | CAT | 121.6° | 119.9° |
| CAX | CAY | H14 | 119.2° | 120.0° |
| CAU | CAT | CAY | 119.9° | 119.8° |
| CAU | CAT | CAQ | 121.8° | 120.0° |
| CAT | CAU | H20 | 120.4° | 120.1° |
| CAY | CAT | CAQ | 118.3° | 120.2° |
| CAT | CAY | H14 | 119.2° | 120.1° |
| CAT | CAQ | NAR | 126.7° | 126.9° |
| CAT | CAQ | CAP | 125.1° | 127.0° |
| CAQ | NAR | NAS | 107.4° | 108.8° |
| NAR | CAQ | CAP | 108.3° | 106.2° |
| NAR | NAS | NAO | 111.1° | 110.5° |
| CAQ | CAP | NAO | 105.5° | 106.1° |
| CAQ | CAP | H13 | 127.3° | 127.0° |
| NAS | NAO | CAP | 107.7° | 108.5° |
| NAS | NAO | CAN | 125.3° | 125.8° |
| CAP | NAO | CAN | 127.0° | 125.7° |
| NAO | CAP | H13 | 127.3° | 126.9° |
| NAO | CAN | CAL | 107.5° | 109.5° |
| NAO | CAN | H11 | 109.9° | 109.5° |
| NAO | CAN | H12 | 109.9° | 109.4° |
| CAN | CAL | CAK | 112.4° | 109.5° |
| CAN | CAL | H9 | 108.7° | 109.5° |
| CAN | CAL | H10 | 108.7° | 109.5° |
| CAL | CAN | H11 | 109.9° | 109.4° |
| CAL | CAN | H12 | 110.0° | 109.5° |
| CAL | CAK | CAJ | 109.9° | 109.5° |
| CAL | CAK | NAM | 108.4° | 109.5° |
| CAL | CAK | H5 | 108.9° | 109.4° |
| CAK | CAL | H9 | 108.7° | 109.4° |
| CAK | CAL | H10 | 108.8° | 109.5° |
| CAJ | CAK | NAM | 111.5° | 109.5° |
| CAK | CAJ | CAD | 110.7° | 109.5° |
| CAK | CAJ | H3 | 109.2° | 109.4° |
| CAK | CAJ | H4 | 109.2° | 109.5° |
| CAJ | CAK | H5 | 108.4° | 109.4° |
| NAM | CAK | H5 | 109.7° | 109.4° |
| CAK | NAM | H6 | 109.5° | 111.0° |
| CAK | NAM | H7 | 109.5° | 111.0° |
| CAJ | CAD | CAC | 116.7° | 120.0° |
| CAJ | CAD | CAE | 122.3° | 120.0° |
| CAD | CAJ | H3 | 109.2° | 109.5° |
| CAD | CAJ | H4 | 109.2° | 109.5° |
| CAD | CAC | CAB | 119.7° | 120.0° |
| CAC | CAD | CAE | 121.0° | 120.1° |
| CAD | CAC | H2 | 120.2° | 120.1° |
| CAC | CAB | FAI | 117.9° | 120.0° |
| CAC | CAB | CAA | 120.2° | 120.0° |
| CAB | CAC | H2 | 120.1° | 119.9° |
| FAI | CAB | CAA | 121.9° | 120.1° |
| CAD | CAE | FAG | 121.9° | 120.0° |
| CAD | CAE | CAF | 119.2° | 120.0° |
| CAB | CAA | CAF | 119.8° | 119.9° |
| CAB | CAA | FAH | 120.3° | 120.0° |
| FAG | CAE | CAF | 118.9° | 119.9° |
| CAE | CAF | CAA | 120.2° | 120.0° |
| CAE | CAF | H1 | 119.9° | 120.0° |
| CAF | CAA | FAH | 119.9° | 120.0° |
| CAA | CAF | H1 | 119.9° | 120.0° |
| H3 | CAJ | H4 | 109.5° | 109.5° |
| H6 | NAM | H7 | 109.5° | 111.0° |
| H9 | CAL | H10 | 109.4° | 109.5° |
| H11 | CAN | H12 | 109.5° | 109.5° |
| H15 | CAZ | H16 | 109.4° | 109.5° |
| H15 | CAZ | H17 | 109.5° | 109.5° |
| H16 | CAZ | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAW | CAX | H18 | 180.0° | 179.9° |
| CAW | CAV | CAU | H19 | 180.0° | 179.9° |
| CAV | CAW | CAX | CAZ | 179.7° | 180.0° |
| CAV | CAW | CAX | CAY | 0.3° | 0.1° |
| CAW | CAV | CAU | CAT | 0.1° | 0.4° |
| CAW | CAV | CAU | H20 | 179.9° | 180.0° |
| CAX | CAW | CAV | CAU | 0.2° | 0.2° |
| CAW | CAX | CAZ | CAY | 180.0° | 179.9° |
| CAW | CAX | CAY | CAT | 0.2° | 0.1° |
| CAW | CAX | CAY | H14 | 179.8° | 179.9° |
| CAW | CAX | CAZ | H15 | 90.0° | 90.0° |
| CAW | CAX | CAZ | H16 | 150.0° | 29.9° |
| CAW | CAX | CAZ | H17 | 30.0° | 150.0° |
| CAX | CAW | CAV | H19 | 179.8° | 180.0° |
| CAV | CAU | CAT | H20 | 180.0° | 179.6° |
| CAV | CAU | CAT | CAY | 0.2° | 0.4° |
| CAV | CAU | CAT | CAQ | 179.3° | 179.8° |
| CAU | CAV | CAW | H18 | 179.9° | 180.0° |
| CAZ | CAX | CAY | CAT | 179.8° | 180.0° |
| CAZ | CAX | CAY | H14 | 0.2° | 0.0° |
| CAX | CAZ | H15 | H16 | 120.0° | 119.9° |
| CAX | CAZ | H15 | H17 | 120.0° | 119.9° |
| CAX | CAZ | H16 | H17 | 120.0° | 120.0° |
| CAZ | CAX | CAW | H18 | 0.3° | 0.2° |
| CAX | CAY | CAT | CAU | 0.1° | 0.2° |
| CAX | CAY | CAT | H14 | 180.0° | 180.0° |
| CAX | CAY | CAT | CAQ | 179.2° | 180.0° |
| CAY | CAX | CAZ | H15 | 90.0° | 90.1° |
| CAY | CAX | CAZ | H16 | 30.0° | 150.0° |
| CAY | CAX | CAZ | H17 | 150.0° | 29.9° |
| CAY | CAX | CAW | H18 | 179.7° | 179.8° |
| CAU | CAT | CAY | CAQ | 179.2° | 179.8° |
| CAU | CAT | CAQ | NAR | 21.3° | 179.7° |
| CAU | CAT | CAQ | CAP | 158.2° | 0.2° |
| CAU | CAT | CAY | H14 | 179.9° | 179.8° |
| CAT | CAU | CAV | H19 | 179.9° | 179.7° |
| CAY | CAT | CAQ | NAR | 159.6° | 0.1° |
| CAY | CAT | CAQ | CAP | 20.9° | 180.0° |
| CAY | CAT | CAU | H20 | 179.8° | 179.9° |
| CAT | CAQ | NAR | CAP | 179.5° | 179.9° |
| CAT | CAQ | NAR | NAS | 179.9° | 180.0° |
| CAT | CAQ | CAP | NAO | 179.9° | 179.8° |
| CAT | CAQ | CAP | H13 | 0.1° | 0.2° |
| CAQ | CAT | CAY | H14 | 0.8° | 0.0° |
| CAQ | CAT | CAU | H20 | 0.7° | 0.2° |
| CAQ | NAR | NAS | NAO | 0.3° | 0.2° |
| NAR | CAQ | CAP | NAO | 0.6° | 0.1° |
| NAR | CAQ | CAP | H13 | 179.4° | 179.9° |
| NAS | NAR | CAQ | CAP | 0.6° | 0.0° |
| NAR | NAS | NAO | CAP | 0.0° | 0.2° |
| NAR | NAS | NAO | CAN | 179.3° | 180.0° |
| CAQ | CAP | NAO | NAS | 0.4° | 0.2° |
| CAQ | CAP | NAO | H13 | 180.0° | 180.0° |
| CAQ | CAP | NAO | CAN | 179.7° | 180.0° |
| NAS | NAO | CAP | CAN | 179.3° | 179.7° |
| NAS | NAO | CAN | CAL | 33.8° | 55.3° |
| NAS | NAO | CAN | H11 | 85.9° | 175.3° |
| NAS | NAO | CAN | H12 | 153.4° | 64.7° |
| NAS | NAO | CAP | H13 | 179.6° | 179.8° |
| CAP | NAO | CAN | CAL | 145.4° | 125.0° |
| CAP | NAO | CAN | H11 | 94.9° | 5.0° |
| CAP | NAO | CAN | H12 | 25.7° | 115.0° |
| NAO | CAN | CAL | H11 | 119.7° | 120.0° |
| NAO | CAN | CAL | H12 | 119.7° | 120.0° |
| NAO | CAN | CAL | CAK | 151.2° | 180.0° |
| NAO | CAN | CAL | H9 | 88.3° | 60.0° |
| NAO | CAN | CAL | H10 | 30.8° | 60.0° |
| NAO | CAN | H11 | H12 | 120.9° | 120.0° |
| CAN | NAO | CAP | H13 | 0.3° | 0.0° |
| CAN | CAL | CAK | H9 | 120.5° | 120.0° |
| CAN | CAL | CAK | H10 | 120.4° | 120.1° |
| CAN | CAL | CAK | CAJ | 46.6° | 175.0° |
| CAN | CAL | CAK | NAM | 168.6° | 64.9° |
| CAN | CAL | CAK | H5 | 72.1° | 55.0° |
| CAN | CAL | H9 | H10 | 118.6° | 120.0° |
| CAL | CAN | H11 | H12 | 120.9° | 120.1° |
| CAL | CAK | CAJ | NAM | 120.2° | 120.1° |
| CAL | CAK | CAJ | H5 | 118.9° | 120.0° |
| CAL | CAK | NAM | H5 | 118.8° | 119.9° |
| CAL | CAK | CAJ | CAD | 166.7° | 175.0° |
| CAL | CAK | CAJ | H3 | 73.1° | 65.0° |
| CAL | CAK | CAJ | H4 | 46.6° | 54.9° |
| CAL | CAK | NAM | H6 | 180.0° | 176.0° |
| CAL | CAK | NAM | H7 | 60.0° | 60.1° |
| CAK | CAL | H9 | H10 | 118.7° | 119.9° |
| CAK | CAL | CAN | H11 | 31.6° | 60.1° |
| CAK | CAL | CAN | H12 | 89.1° | 60.0° |
| CAJ | CAK | NAM | H5 | 120.1° | 120.0° |
| CAK | CAJ | CAD | H3 | 120.2° | 119.9° |
| CAK | CAJ | CAD | H4 | 120.2° | 120.0° |
| CAK | CAJ | CAD | CAC | 81.2° | 100.0° |
| CAK | CAJ | CAD | CAE | 98.2° | 80.5° |
| CAK | CAJ | H3 | H4 | 119.5° | 120.0° |
| CAJ | CAK | NAM | H6 | 58.9° | 63.9° |
| CAJ | CAK | NAM | H7 | 61.1° | 60.0° |
| CAJ | CAK | CAL | H9 | 73.9° | 65.0° |
| CAJ | CAK | CAL | H10 | 167.0° | 54.9° |
| NAM | CAK | CAJ | CAD | 46.5° | 65.0° |
| NAM | CAK | CAJ | H3 | 166.7° | 55.0° |
| NAM | CAK | CAJ | H4 | 73.6° | 175.0° |
| CAK | NAM | H6 | H7 | 120.0° | 123.9° |
| NAM | CAK | CAL | H9 | 48.2° | 55.1° |
| NAM | CAK | CAL | H10 | 70.9° | 175.0° |
| CAJ | CAD | CAC | CAE | 179.4° | 179.4° |
| CAJ | CAD | CAC | CAB | 178.6° | 180.0° |
| CAJ | CAD | CAE | FAG | 1.5° | 0.3° |
| CAJ | CAD | CAE | CAF | 178.5° | 180.0° |
| CAJ | CAD | CAC | H2 | 1.4° | 0.5° |
| CAD | CAJ | H3 | H4 | 119.4° | 120.0° |
| CAD | CAJ | CAK | H5 | 74.3° | 55.0° |
| CAD | CAC | CAB | H2 | 180.0° | 179.5° |
| CAD | CAC | CAB | FAI | 179.5° | 179.7° |
| CAD | CAC | CAB | CAA | 0.3° | 0.3° |
| CAC | CAD | CAE | FAG | 179.2° | 179.7° |
| CAC | CAD | CAE | CAF | 0.8° | 0.6° |
| CAC | CAD | CAJ | H3 | 39.0° | 140.0° |
| CAC | CAD | CAJ | H4 | 158.7° | 20.0° |
| CAC | CAB | FAI | CAA | 179.7° | 180.0° |
| CAB | CAC | CAD | CAE | 0.8° | 0.6° |
| CAC | CAB | CAA | CAF | 0.2° | 0.1° |
| CAC | CAB | CAA | FAH | 180.0° | 179.9° |
| FAI | CAB | CAA | CAF | 179.9° | 180.0° |
| FAI | CAB | CAA | FAH | 0.3° | 0.1° |
| FAI | CAB | CAC | H2 | 0.6° | 0.2° |
| CAD | CAE | FAG | CAF | 180.0° | 179.6° |
| CAD | CAE | CAF | CAA | 0.4° | 0.4° |
| CAD | CAE | CAF | H1 | 179.6° | 179.7° |
| CAE | CAD | CAC | H2 | 179.2° | 179.9° |
| CAE | CAD | CAJ | H3 | 141.6° | 39.4° |
| CAE | CAD | CAJ | H4 | 22.0° | 159.4° |
| CAB | CAA | CAF | CAE | 0.1° | 0.1° |
| CAB | CAA | CAF | FAH | 179.8° | 179.9° |
| CAB | CAA | CAF | H1 | 179.9° | 180.0° |
| CAA | CAB | CAC | H2 | 179.7° | 179.8° |
| FAG | CAE | CAF | CAA | 179.6° | 180.0° |
| FAG | CAE | CAF | H1 | 0.4° | 0.1° |
| CAE | CAF | CAA | H1 | 180.0° | 179.9° |
| CAE | CAF | CAA | FAH | 179.9° | 180.0° |
| FAH | CAA | CAF | H1 | 0.1° | 0.1° |
| H3 | CAJ | CAK | H5 | 45.9° | 175.0° |
| H4 | CAJ | CAK | H5 | 165.5° | 65.0° |
| H5 | CAK | NAM | H6 | 61.2° | 56.1° |
| H5 | CAK | NAM | H7 | 178.8° | 180.0° |
| H5 | CAK | CAL | H9 | 167.5° | 175.0° |
| H5 | CAK | CAL | H10 | 48.4° | 65.0° |
| H9 | CAL | CAN | H11 | 152.0° | 180.0° |
| H9 | CAL | CAN | H12 | 31.4° | 60.0° |
| H10 | CAL | CAN | H11 | 88.9° | 59.9° |
| H10 | CAL | CAN | H12 | 150.4° | 180.0° |
| H15 | CAZ | H16 | H17 | 120.0° | 120.1° |
| H18 | CAW | CAV | H19 | 0.1° | 0.1° |
| H19 | CAV | CAU | H20 | 0.1° | 0.1° |
