68Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAD | sing | 1.53Å | 1.53Å | |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | NAE | sing | 1.46Å | 1.49Å | |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| NAE | CAF | sing | 1.40Å | 1.39Å | |
| CAS | CAR | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAO | sing | 1.51Å | 1.43Å | |
| CAQ | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAO | OAN | sing | 1.43Å | 1.43Å | |
| CAJ | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.51Å | 1.42Å | |
| CAF | CAG | sing | 1.40Å | 1.36Å | Aromatic |
| CAB | OAI | doub | 1.21Å | 1.24Å | |
| CAB | NAA | sing | 1.35Å | 1.36Å | |
| OAN | CAK | sing | 1.36Å | 1.38Å | |
| CAK | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | NAA | sing | 1.40Å | 1.40Å | |
| CAG | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| NAE | H2 | sing | 0.97Å | 1.00Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| NAA | H9 | sing | 0.97Å | 1.00Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.09Å | 1.10Å | |
| CAP | H15 | sing | 1.09Å | 1.10Å | |
| CAR | H16 | sing | 1.08Å | 1.08Å | |
| CAS | H17 | sing | 1.08Å | 1.08Å | |
| CAT | H18 | sing | 1.08Å | 1.08Å | |
| CAU | H19 | sing | 1.08Å | 1.08Å | |
| CAV | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAU | CAV | 119.9° | 120.0° |
| CAU | CAT | CAS | 119.6° | 120.0° |
| CAU | CAT | H18 | 120.2° | 120.0° |
| CAT | CAU | H19 | 120.1° | 120.0° |
| CAU | CAV | CAQ | 121.6° | 120.0° |
| CAV | CAU | H19 | 120.1° | 120.0° |
| CAU | CAV | H20 | 119.2° | 120.0° |
| CAH | CAD | NAE | 111.6° | 109.4° |
| CAH | CAD | CAC | 109.7° | 109.4° |
| CAH | CAD | H3 | 107.7° | 109.3° |
| CAD | CAH | H4 | 109.5° | 109.4° |
| CAD | CAH | H5 | 109.4° | 109.4° |
| CAD | CAH | H6 | 109.5° | 109.5° |
| CAT | CAS | CAR | 120.4° | 120.0° |
| CAT | CAS | H17 | 119.8° | 120.0° |
| CAS | CAT | H18 | 120.2° | 120.0° |
| CAV | CAQ | CAO | 115.3° | 120.0° |
| CAV | CAQ | CAR | 119.1° | 120.0° |
| CAQ | CAV | H20 | 119.2° | 120.0° |
| NAE | CAD | CAC | 111.9° | 109.9° |
| CAD | NAE | CAF | 124.7° | 118.8° |
| CAD | NAE | H2 | 105.5° | 120.5° |
| NAE | CAD | H3 | 108.2° | 109.4° |
| CAD | CAC | CAB | 109.9° | 110.1° |
| CAC | CAD | H3 | 107.6° | 109.4° |
| CAD | CAC | H7 | 109.3° | 109.4° |
| CAD | CAC | H8 | 109.4° | 109.3° |
| NAE | CAF | CAJ | 116.6° | 120.6° |
| NAE | CAF | CAG | 123.4° | 119.4° |
| CAF | NAE | H2 | 105.5° | 120.6° |
| CAS | CAR | CAQ | 119.2° | 120.0° |
| CAS | CAR | H16 | 120.4° | 120.0° |
| CAR | CAS | H17 | 119.8° | 120.0° |
| CAO | CAQ | CAR | 125.6° | 120.0° |
| CAQ | CAO | CAP | 107.8° | 109.4° |
| CAQ | CAO | OAN | 114.7° | 109.5° |
| CAQ | CAO | H12 | 109.6° | 109.5° |
| CAQ | CAR | H16 | 120.4° | 120.0° |
| CAP | CAO | OAN | 106.7° | 109.5° |
| CAP | CAO | H12 | 108.3° | 109.5° |
| CAO | CAP | H13 | 109.5° | 109.5° |
| CAO | CAP | H14 | 109.5° | 109.5° |
| CAO | CAP | H15 | 109.5° | 109.5° |
| CAO | OAN | CAK | 119.0° | 117.0° |
| OAN | CAO | H12 | 109.5° | 109.4° |
| CAF | CAJ | CAK | 120.1° | 119.8° |
| CAJ | CAF | CAG | 119.8° | 120.0° |
| CAF | CAJ | H1 | 120.0° | 120.1° |
| CAJ | CAK | OAN | 122.9° | 119.9° |
| CAJ | CAK | CAL | 119.0° | 120.1° |
| CAK | CAJ | H1 | 120.0° | 120.1° |
| CAC | CAB | OAI | 123.8° | 119.8° |
| CAC | CAB | NAA | 119.8° | 120.4° |
| CAB | CAC | H7 | 109.4° | 109.4° |
| CAB | CAC | H8 | 109.4° | 109.3° |
| CAF | CAG | NAA | 123.2° | 119.2° |
| CAF | CAG | CAM | 120.9° | 120.0° |
| OAI | CAB | NAA | 116.2° | 119.8° |
| CAB | NAA | CAG | 123.5° | 120.4° |
| CAB | NAA | H9 | 118.3° | 119.8° |
| OAN | CAK | CAL | 117.9° | 120.0° |
| CAK | CAL | CAM | 120.2° | 120.2° |
| CAK | CAL | H11 | 119.9° | 119.9° |
| NAA | CAG | CAM | 115.8° | 120.8° |
| CAG | NAA | H9 | 118.2° | 119.8° |
| CAG | CAM | CAL | 119.7° | 119.9° |
| CAG | CAM | H10 | 120.1° | 120.0° |
| CAL | CAM | H10 | 120.2° | 120.0° |
| CAM | CAL | H11 | 119.9° | 119.9° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H4 | CAH | H6 | 109.5° | 109.5° |
| H5 | CAH | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.2° |
| H13 | CAP | H14 | 109.4° | 109.4° |
| H13 | CAP | H15 | 109.5° | 109.5° |
| H14 | CAP | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAU | CAV | H19 | 180.0° | 179.7° |
| CAU | CAT | CAS | H18 | 180.0° | 179.9° |
| CAT | CAU | CAV | CAQ | 0.8° | 0.7° |
| CAU | CAT | CAS | CAR | 2.4° | 0.0° |
| CAU | CAT | CAS | H17 | 177.7° | 179.9° |
| CAT | CAU | CAV | H20 | 179.2° | 180.0° |
| CAV | CAU | CAT | CAS | 0.0° | 0.3° |
| CAU | CAV | CAQ | H20 | 180.0° | 179.3° |
| CAU | CAV | CAQ | CAO | 179.5° | 179.7° |
| CAU | CAV | CAQ | CAR | 0.6° | 0.7° |
| CAV | CAU | CAT | H18 | 180.0° | 179.7° |
| CAH | CAD | NAE | CAC | 123.4° | 120.1° |
| CAH | CAD | NAE | H3 | 118.3° | 119.8° |
| CAH | CAD | CAC | H3 | 116.9° | 119.8° |
| CAH | CAD | NAE | CAF | 142.7° | 77.6° |
| CAH | CAD | CAC | CAB | 67.1° | 163.9° |
| CAH | CAD | NAE | H2 | 95.3° | 102.4° |
| CAD | CAH | H4 | H5 | 120.0° | 119.9° |
| CAD | CAH | H4 | H6 | 120.0° | 120.0° |
| CAD | CAH | H5 | H6 | 120.0° | 120.0° |
| CAH | CAD | CAC | H7 | 53.0° | 43.6° |
| CAH | CAD | CAC | H8 | 172.8° | 76.0° |
| CAT | CAS | CAR | H17 | 180.0° | 180.0° |
| CAT | CAS | CAR | CAQ | 3.8° | 0.0° |
| CAT | CAS | CAR | H16 | 176.2° | 180.0° |
| CAS | CAT | CAU | H19 | 180.0° | 180.0° |
| CAV | CAQ | CAR | CAS | 2.9° | 0.4° |
| CAV | CAQ | CAO | CAR | 179.8° | 179.6° |
| CAV | CAQ | CAO | CAP | 69.2° | 80.3° |
| CAV | CAQ | CAO | OAN | 172.1° | 39.7° |
| CAV | CAQ | CAO | H12 | 48.5° | 159.7° |
| CAV | CAQ | CAR | H16 | 177.1° | 179.7° |
| CAQ | CAV | CAU | H19 | 179.1° | 179.7° |
| NAE | CAD | CAC | H3 | 118.6° | 120.2° |
| CAD | NAE | CAF | H2 | 122.1° | 180.0° |
| CAD | NAE | CAF | CAJ | 133.7° | 106.7° |
| NAE | CAD | CAC | CAB | 57.3° | 43.8° |
| CAD | NAE | CAF | CAG | 51.2° | 71.6° |
| NAE | CAD | CAH | H4 | 180.0° | 60.0° |
| NAE | CAD | CAH | H5 | 60.0° | 179.9° |
| NAE | CAD | CAH | H6 | 60.0° | 60.0° |
| NAE | CAD | CAC | H7 | 177.4° | 76.5° |
| NAE | CAD | CAC | H8 | 62.7° | 163.9° |
| CAC | CAD | NAE | CAF | 19.3° | 42.5° |
| CAD | CAC | CAB | H7 | 120.1° | 120.3° |
| CAD | CAC | CAB | H8 | 120.1° | 120.1° |
| CAD | CAC | CAB | OAI | 106.3° | 104.4° |
| CAD | CAC | CAB | NAA | 78.3° | 75.7° |
| CAC | CAD | NAE | H2 | 141.3° | 137.5° |
| CAC | CAD | CAH | H4 | 55.4° | 179.6° |
| CAC | CAD | CAH | H5 | 64.6° | 59.6° |
| CAC | CAD | CAH | H6 | 175.4° | 60.4° |
| CAD | CAC | H7 | H8 | 119.8° | 119.6° |
| NAE | CAF | CAJ | CAG | 175.3° | 178.3° |
| NAE | CAF | CAJ | CAK | 171.1° | 177.6° |
| NAE | CAF | CAG | NAA | 2.2° | 3.5° |
| NAE | CAF | CAG | CAM | 176.9° | 177.1° |
| NAE | CAF | CAJ | H1 | 8.8° | 2.8° |
| CAF | NAE | CAD | H3 | 99.0° | 162.7° |
| CAS | CAR | CAQ | CAO | 177.3° | 180.0° |
| CAS | CAR | CAQ | H16 | 180.0° | 180.0° |
| CAR | CAS | CAT | H18 | 177.7° | 180.0° |
| CAQ | CAO | CAP | OAN | 123.7° | 119.9° |
| CAQ | CAO | CAP | H12 | 118.5° | 120.0° |
| CAQ | CAO | OAN | H12 | 123.7° | 120.0° |
| CAQ | CAO | OAN | CAK | 66.2° | 155.0° |
| CAQ | CAO | CAP | H13 | 180.0° | 60.0° |
| CAQ | CAO | CAP | H14 | 60.0° | 180.0° |
| CAQ | CAO | CAP | H15 | 60.0° | 60.1° |
| CAO | CAQ | CAR | H16 | 2.7° | 0.0° |
| CAO | CAQ | CAV | H20 | 0.5° | 0.3° |
| CAR | CAQ | CAO | CAP | 111.0° | 100.1° |
| CAR | CAQ | CAO | OAN | 7.7° | 140.0° |
| CAR | CAQ | CAO | H12 | 131.3° | 20.0° |
| CAQ | CAR | CAS | H17 | 176.2° | 179.9° |
| CAR | CAQ | CAV | H20 | 179.3° | 180.0° |
| CAP | CAO | OAN | H12 | 117.0° | 120.1° |
| CAP | CAO | OAN | CAK | 174.5° | 85.1° |
| CAO | CAP | H13 | H14 | 120.0° | 120.0° |
| CAO | CAP | H13 | H15 | 120.0° | 120.1° |
| CAO | CAP | H14 | H15 | 120.0° | 120.0° |
| CAO | OAN | CAK | CAJ | 23.4° | 5.4° |
| CAO | OAN | CAK | CAL | 162.4° | 174.5° |
| OAN | CAO | CAP | H13 | 56.3° | 60.0° |
| OAN | CAO | CAP | H14 | 176.3° | 60.0° |
| OAN | CAO | CAP | H15 | 63.7° | 180.0° |
| CAF | CAJ | CAK | H1 | 180.0° | 179.7° |
| CAF | CAJ | CAK | OAN | 179.5° | 180.0° |
| CAF | CAJ | CAK | CAL | 6.3° | 0.1° |
| CAJ | CAF | CAG | NAA | 172.7° | 178.2° |
| CAJ | CAF | CAG | CAM | 2.0° | 1.2° |
| CAJ | CAF | NAE | H2 | 11.6° | 73.3° |
| CAK | CAJ | CAF | CAG | 4.1° | 0.8° |
| CAJ | CAK | OAN | CAL | 174.2° | 179.9° |
| CAJ | CAK | CAL | CAM | 2.6° | 0.5° |
| CAJ | CAK | CAL | H11 | 177.4° | 179.6° |
| CAC | CAB | OAI | NAA | 175.6° | 180.0° |
| CAC | CAB | NAA | CAG | 11.1° | 4.7° |
| CAB | CAC | CAD | H3 | 176.0° | 76.4° |
| CAB | CAC | H7 | H8 | 119.8° | 119.7° |
| CAC | CAB | NAA | H9 | 168.9° | 175.3° |
| CAF | CAG | NAA | CAB | 39.9° | 49.3° |
| CAF | CAG | NAA | CAM | 175.0° | 179.4° |
| CAF | CAG | CAM | CAL | 5.7° | 0.9° |
| CAG | CAF | CAJ | H1 | 175.9° | 178.9° |
| CAG | CAF | NAE | H2 | 173.3° | 108.4° |
| CAF | CAG | NAA | H9 | 140.1° | 130.7° |
| CAF | CAG | CAM | H10 | 174.2° | 179.2° |
| OAI | CAB | NAA | CAG | 173.1° | 175.3° |
| OAI | CAB | CAC | H7 | 13.8° | 135.4° |
| OAI | CAB | CAC | H8 | 133.7° | 15.8° |
| OAI | CAB | NAA | H9 | 6.9° | 4.6° |
| CAB | NAA | CAG | H9 | 180.0° | 180.0° |
| CAB | NAA | CAG | CAM | 145.1° | 131.3° |
| NAA | CAB | CAC | H7 | 161.7° | 44.6° |
| NAA | CAB | CAC | H8 | 41.8° | 164.2° |
| OAN | CAK | CAL | CAM | 177.0° | 179.6° |
| OAN | CAK | CAJ | H1 | 0.5° | 0.3° |
| OAN | CAK | CAL | H11 | 3.0° | 0.4° |
| CAK | OAN | CAO | H12 | 57.5° | 35.0° |
| CAK | CAL | CAM | CAG | 3.4° | 0.0° |
| CAK | CAL | CAM | H11 | 180.0° | 180.0° |
| CAL | CAK | CAJ | H1 | 173.7° | 179.8° |
| CAK | CAL | CAM | H10 | 176.6° | 180.0° |
| NAA | CAG | CAM | CAL | 169.3° | 178.6° |
| NAA | CAG | CAM | H10 | 10.7° | 1.4° |
| CAG | CAM | CAL | H10 | 180.0° | 180.0° |
| CAM | CAG | NAA | H9 | 34.9° | 48.8° |
| CAG | CAM | CAL | H11 | 176.6° | 180.0° |
| H2 | NAE | CAD | H3 | 23.0° | 17.3° |
| H3 | CAD | CAH | H4 | 61.4° | 59.8° |
| H3 | CAD | CAH | H5 | 178.6° | 60.3° |
| H3 | CAD | CAH | H6 | 58.6° | 179.8° |
| H3 | CAD | CAC | H7 | 63.9° | 163.4° |
| H3 | CAD | CAC | H8 | 55.9° | 43.8° |
| H4 | CAH | H5 | H6 | 120.0° | 120.1° |
| H10 | CAM | CAL | H11 | 3.4° | 0.0° |
| H12 | CAO | CAP | H13 | 61.5° | 180.0° |
| H12 | CAO | CAP | H14 | 58.5° | 60.0° |
| H12 | CAO | CAP | H15 | 178.5° | 60.0° |
| H13 | CAP | H14 | H15 | 120.0° | 120.0° |
| H16 | CAR | CAS | H17 | 3.8° | 0.0° |
| H17 | CAS | CAT | H18 | 2.3° | 0.0° |
| H18 | CAT | CAU | H19 | 0.0° | 0.1° |
| H19 | CAU | CAV | H20 | 0.8° | 0.3° |
