30Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAJ | doub | 1.38Å | 1.45Å | Aromatic |
| CAI | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAN | sing | 1.38Å | 1.29Å | Aromatic |
| CAL | CAU | doub | 1.38Å | 1.46Å | Aromatic |
| SAC | CAT | doub | 1.60Å | 1.73Å | |
| CAN | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CAU | CAW | sing | 1.39Å | 1.35Å | Aromatic |
| CAU | CLA | sing | 1.74Å | 1.78Å | |
| CAW | NAR | sing | 1.40Å | 1.38Å | |
| CAT | NAR | sing | 1.35Å | 1.35Å | |
| CAT | CAY | sing | 1.51Å | 1.46Å | |
| NAA | CAH | trip | 1.14Å | 1.09Å | |
| CAH | CAY | sing | 1.47Å | 1.47Å | |
| CAY | CAS | sing | 1.51Å | 1.52Å | |
| CAS | OAB | doub | 1.21Å | 1.25Å | |
| CAS | NAQ | sing | 1.35Å | 1.39Å | |
| NAQ | CAV | sing | 1.40Å | 1.40Å | |
| CAV | CAM | doub | 1.39Å | 1.37Å | Aromatic |
| CAV | CAP | sing | 1.39Å | 1.42Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAZ | sing | 1.51Å | 1.48Å | |
| FAF | CAZ | sing | 1.40Å | 1.18Å | |
| FAE | CAZ | sing | 1.40Å | 1.29Å | |
| CAZ | FAD | sing | 1.40Å | 1.30Å | |
| CAL | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| NAR | H5 | sing | 0.97Å | 1.00Å | |
| CAY | H6 | sing | 1.09Å | 1.10Å | |
| NAQ | H7 | sing | 0.97Å | 1.00Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAI | CAL | 119.7° | 120.1° |
| CAI | CAJ | CAN | 122.7° | 120.1° |
| CAJ | CAI | H2 | 120.1° | 119.9° |
| CAI | CAJ | H3 | 118.7° | 120.0° |
| CAI | CAL | CAU | 115.7° | 120.1° |
| CAI | CAL | H1 | 122.2° | 119.9° |
| CAL | CAI | H2 | 120.2° | 120.0° |
| CAJ | CAN | CAW | 119.8° | 120.0° |
| CAN | CAJ | H3 | 118.6° | 119.9° |
| CAJ | CAN | H4 | 120.1° | 120.0° |
| CAL | CAU | CAW | 121.2° | 119.9° |
| CAL | CAU | CLA | 120.0° | 120.0° |
| CAU | CAL | H1 | 122.2° | 120.0° |
| SAC | CAT | NAR | 121.1° | 120.0° |
| SAC | CAT | CAY | 114.8° | 120.0° |
| CAN | CAW | CAU | 120.8° | 119.9° |
| CAN | CAW | NAR | 116.7° | 120.1° |
| CAW | CAN | H4 | 120.1° | 120.0° |
| CAW | CAU | CLA | 118.7° | 120.1° |
| CAU | CAW | NAR | 122.3° | 120.1° |
| CAW | NAR | CAT | 121.0° | 120.0° |
| CAW | NAR | H5 | 119.5° | 120.0° |
| NAR | CAT | CAY | 120.6° | 120.0° |
| CAT | NAR | H5 | 119.5° | 120.0° |
| CAT | CAY | CAH | 118.9° | 109.5° |
| CAT | CAY | CAS | 117.9° | 109.5° |
| CAT | CAY | H6 | 96.9° | 109.5° |
| NAA | CAH | CAY | 178.6° | 180.0° |
| CAH | CAY | CAS | 119.2° | 109.5° |
| CAH | CAY | H6 | 96.8° | 109.4° |
| CAY | CAS | OAB | 123.7° | 120.0° |
| CAY | CAS | NAQ | 113.8° | 120.0° |
| CAS | CAY | H6 | 96.5° | 109.4° |
| OAB | CAS | NAQ | 122.1° | 120.0° |
| CAS | NAQ | CAV | 125.5° | 120.0° |
| CAS | NAQ | H7 | 117.3° | 120.1° |
| NAQ | CAV | CAM | 117.3° | 120.1° |
| NAQ | CAV | CAP | 122.2° | 120.1° |
| CAV | NAQ | H7 | 117.2° | 119.9° |
| CAM | CAV | CAP | 120.5° | 119.8° |
| CAV | CAM | CAK | 121.0° | 119.9° |
| CAV | CAM | H11 | 119.5° | 120.0° |
| CAV | CAP | CAX | 118.7° | 120.0° |
| CAV | CAP | H8 | 120.7° | 120.0° |
| CAM | CAK | CAO | 119.4° | 120.1° |
| CAM | CAK | H10 | 120.3° | 119.9° |
| CAK | CAM | H11 | 119.5° | 120.1° |
| CAP | CAX | CAO | 121.3° | 120.0° |
| CAP | CAX | CAZ | 117.9° | 120.0° |
| CAX | CAP | H8 | 120.6° | 120.0° |
| CAK | CAO | CAX | 119.0° | 120.2° |
| CAK | CAO | H9 | 120.5° | 119.9° |
| CAO | CAK | H10 | 120.3° | 120.0° |
| CAO | CAX | CAZ | 120.8° | 120.0° |
| CAX | CAO | H9 | 120.5° | 119.9° |
| CAX | CAZ | FAF | 117.8° | 109.5° |
| CAX | CAZ | FAE | 106.3° | 109.5° |
| CAX | CAZ | FAD | 109.9° | 109.5° |
| FAF | CAZ | FAE | 99.9° | 109.5° |
| FAF | CAZ | FAD | 110.7° | 109.5° |
| FAE | CAZ | FAD | 111.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAI | CAL | H2 | 180.0° | 180.0° |
| CAI | CAJ | CAN | H3 | 180.0° | 180.0° |
| CAJ | CAI | CAL | CAU | 2.6° | 0.0° |
| CAI | CAJ | CAN | CAW | 0.6° | 0.0° |
| CAJ | CAI | CAL | H1 | 177.4° | 180.0° |
| CAI | CAJ | CAN | H4 | 179.4° | 180.0° |
| CAL | CAI | CAJ | CAN | 1.7° | 0.0° |
| CAI | CAL | CAU | H1 | 180.0° | 180.0° |
| CAI | CAL | CAU | CAW | 1.5° | 0.0° |
| CAI | CAL | CAU | CLA | 177.7° | 179.7° |
| CAL | CAI | CAJ | H3 | 178.3° | 180.0° |
| CAJ | CAN | CAW | H4 | 180.0° | 179.9° |
| CAJ | CAN | CAW | CAU | 1.8° | 0.1° |
| CAJ | CAN | CAW | NAR | 178.4° | 179.8° |
| CAN | CAJ | CAI | H2 | 178.3° | 180.0° |
| CAL | CAU | CAW | CAN | 0.7° | 0.1° |
| CAL | CAU | CAW | CLA | 179.2° | 179.7° |
| CAL | CAU | CAW | NAR | 177.2° | 179.7° |
| CAU | CAL | CAI | H2 | 177.4° | 180.0° |
| SAC | CAT | NAR | CAW | 25.4° | 2.6° |
| SAC | CAT | NAR | CAY | 157.7° | 180.0° |
| SAC | CAT | CAY | CAH | 31.5° | 15.5° |
| SAC | CAT | CAY | CAS | 171.3° | 104.5° |
| SAC | CAT | NAR | H5 | 154.6° | 177.3° |
| SAC | CAT | CAY | H6 | 70.2° | 135.5° |
| CAN | CAW | CAU | NAR | 176.4° | 179.8° |
| CAN | CAW | CAU | CLA | 179.9° | 179.8° |
| CAN | CAW | NAR | CAT | 71.6° | 40.8° |
| CAW | CAN | CAJ | H3 | 179.4° | 180.0° |
| CAN | CAW | NAR | H5 | 108.4° | 139.2° |
| CAU | CAW | NAR | CAT | 105.0° | 139.0° |
| CAW | CAU | CAL | H1 | 178.6° | 180.0° |
| CAU | CAW | CAN | H4 | 178.2° | 180.0° |
| CAU | CAW | NAR | H5 | 75.1° | 41.0° |
| CLA | CAU | CAW | NAR | 3.6° | 0.1° |
| CLA | CAU | CAL | H1 | 2.3° | 0.3° |
| CAW | NAR | CAT | H5 | 180.0° | 180.0° |
| CAW | NAR | CAT | CAY | 177.0° | 177.4° |
| NAR | CAW | CAN | H4 | 1.6° | 0.2° |
| NAR | CAT | CAY | CAH | 169.5° | 164.5° |
| NAR | CAT | CAY | CAS | 12.3° | 75.5° |
| NAR | CAT | CAY | H6 | 88.8° | 44.5° |
| CAT | CAY | CAH | NAA | 63.2° | 104.9° |
| CAT | CAY | CAH | CAS | 156.9° | 120.0° |
| CAT | CAY | CAH | H6 | 101.7° | 120.0° |
| CAT | CAY | CAS | H6 | 101.3° | 120.0° |
| CAT | CAY | CAS | OAB | 11.5° | 3.9° |
| CAT | CAY | CAS | NAQ | 176.2° | 176.0° |
| CAY | CAT | NAR | H5 | 3.0° | 2.6° |
| NAA | CAH | CAY | CAS | 93.8° | 15.1° |
| NAA | CAH | CAY | H6 | 164.9° | 135.1° |
| CAH | CAY | CAS | H6 | 101.5° | 119.9° |
| CAH | CAY | CAS | OAB | 168.6° | 123.9° |
| CAH | CAY | CAS | NAQ | 19.1° | 56.0° |
| CAY | CAS | OAB | NAQ | 171.7° | 179.9° |
| CAY | CAS | NAQ | CAV | 167.6° | 174.8° |
| CAY | CAS | NAQ | H7 | 12.4° | 5.2° |
| OAB | CAS | NAQ | CAV | 4.9° | 5.1° |
| OAB | CAS | CAY | H6 | 89.9° | 116.1° |
| OAB | CAS | NAQ | H7 | 175.1° | 174.8° |
| CAS | NAQ | CAV | H7 | 180.0° | 179.9° |
| CAS | NAQ | CAV | CAM | 153.6° | 34.3° |
| CAS | NAQ | CAV | CAP | 27.5° | 145.4° |
| NAQ | CAS | CAY | H6 | 82.5° | 63.9° |
| NAQ | CAV | CAM | CAP | 178.9° | 179.8° |
| NAQ | CAV | CAM | CAK | 176.7° | 179.8° |
| NAQ | CAV | CAP | CAX | 175.7° | 180.0° |
| NAQ | CAV | CAP | H8 | 4.3° | 0.0° |
| NAQ | CAV | CAM | H11 | 3.3° | 0.1° |
| CAV | CAM | CAK | H11 | 180.0° | 179.8° |
| CAM | CAV | CAP | CAX | 3.2° | 0.2° |
| CAV | CAM | CAK | CAO | 0.4° | 0.5° |
| CAM | CAV | NAQ | H7 | 26.4° | 145.7° |
| CAM | CAV | CAP | H8 | 176.9° | 179.7° |
| CAV | CAM | CAK | H10 | 179.6° | 179.7° |
| CAP | CAV | CAM | CAK | 2.2° | 0.5° |
| CAV | CAP | CAX | H8 | 180.0° | 180.0° |
| CAV | CAP | CAX | CAO | 2.4° | 0.0° |
| CAV | CAP | CAX | CAZ | 178.7° | 180.0° |
| CAP | CAV | NAQ | H7 | 152.5° | 34.5° |
| CAP | CAV | CAM | H11 | 177.8° | 179.7° |
| CAM | CAK | CAO | H10 | 180.0° | 179.8° |
| CAM | CAK | CAO | CAX | 0.4° | 0.3° |
| CAM | CAK | CAO | H9 | 179.6° | 179.7° |
| CAP | CAX | CAO | CAK | 0.7° | 0.0° |
| CAP | CAX | CAO | CAZ | 178.8° | 180.0° |
| CAP | CAX | CAZ | FAF | 43.5° | 30.0° |
| CAP | CAX | CAZ | FAE | 67.4° | 150.0° |
| CAP | CAX | CAZ | FAD | 171.6° | 90.0° |
| CAP | CAX | CAO | H9 | 179.4° | 180.0° |
| CAK | CAO | CAX | H9 | 180.0° | 180.0° |
| CAK | CAO | CAX | CAZ | 179.5° | 180.0° |
| CAO | CAK | CAM | H11 | 179.6° | 179.7° |
| CAO | CAX | CAZ | FAF | 135.4° | 150.0° |
| CAO | CAX | CAZ | FAE | 113.7° | 30.0° |
| CAO | CAX | CAZ | FAD | 7.3° | 90.0° |
| CAO | CAX | CAP | H8 | 177.6° | 180.0° |
| CAX | CAO | CAK | H10 | 179.6° | 180.0° |
| CAX | CAZ | FAF | FAE | 114.5° | 120.0° |
| CAX | CAZ | FAF | FAD | 127.7° | 120.0° |
| CAX | CAZ | FAE | FAD | 119.9° | 120.0° |
| CAZ | CAX | CAP | H8 | 1.2° | 0.0° |
| CAZ | CAX | CAO | H9 | 0.5° | 0.0° |
| FAF | CAZ | FAE | FAD | 117.1° | 120.0° |
| H1 | CAL | CAI | H2 | 2.6° | 0.0° |
| H2 | CAI | CAJ | H3 | 1.7° | 0.0° |
| H3 | CAJ | CAN | H4 | 0.6° | 0.1° |
| H9 | CAO | CAK | H10 | 0.4° | 0.1° |
| H10 | CAK | CAM | H11 | 0.4° | 0.1° |
