Y04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | PAV | doub | 1.48Å | 1.50Å | |
| CAK | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.37Å | Aromatic |
| OAP | CAN | sing | 1.43Å | 1.47Å | |
| OAP | CAT | sing | 1.36Å | 1.38Å | |
| CAG | CAF | sing | 1.38Å | 1.36Å | Aromatic |
| CAN | CAQ | sing | 1.51Å | 1.56Å | |
| CAL | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| OAA | CAQ | doub | 1.21Å | 1.24Å | |
| CAT | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | NAO | sing | 1.35Å | 1.36Å | |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | PAV | sing | 1.81Å | 1.88Å | |
| CAU | CAM | doub | 1.38Å | 1.42Å | Aromatic |
| PAV | OAB | sing | 1.61Å | 1.54Å | |
| PAV | OAD | sing | 1.61Å | 1.53Å | |
| CAI | CAM | sing | 1.38Å | 1.43Å | Aromatic |
| NAO | CAS | sing | 1.40Å | 1.38Å | |
| CAS | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.35Å | Aromatic |
| CAR | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CL1 | sing | 1.74Å | 1.72Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| NAO | H9 | sing | 0.97Å | 1.00Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | PAV | CAU | 101.7° | 109.4° |
| OAC | PAV | OAB | 115.5° | 109.5° |
| OAC | PAV | OAD | 111.4° | 109.5° |
| CAG | CAK | CAS | 120.3° | 120.0° |
| CAK | CAG | CAF | 120.0° | 120.1° |
| CAK | CAG | H12 | 120.0° | 119.9° |
| CAG | CAK | H13 | 119.9° | 120.1° |
| CAK | CAS | NAO | 123.1° | 120.1° |
| CAK | CAS | CAR | 117.5° | 119.8° |
| CAS | CAK | H13 | 119.8° | 120.0° |
| CAN | OAP | CAT | 120.6° | 117.0° |
| OAP | CAN | CAQ | 107.9° | 109.5° |
| OAP | CAN | H7 | 109.9° | 109.4° |
| OAP | CAN | H8 | 109.9° | 109.5° |
| OAP | CAT | CAL | 122.5° | 120.1° |
| OAP | CAT | CAU | 112.9° | 120.1° |
| CAG | CAF | CAJ | 121.7° | 120.1° |
| CAG | CAF | H11 | 119.2° | 119.9° |
| CAF | CAG | H12 | 120.0° | 120.0° |
| CAN | CAQ | OAA | 117.9° | 120.0° |
| CAN | CAQ | NAO | 116.7° | 120.1° |
| CAQ | CAN | H7 | 109.9° | 109.4° |
| CAQ | CAN | H8 | 109.9° | 109.5° |
| CAT | CAL | CAH | 116.6° | 119.9° |
| CAL | CAT | CAU | 124.6° | 119.9° |
| CAT | CAL | H6 | 121.7° | 120.0° |
| CAL | CAH | CAI | 119.5° | 120.1° |
| CAL | CAH | H5 | 120.3° | 120.0° |
| CAH | CAL | H6 | 121.7° | 120.0° |
| OAA | CAQ | NAO | 125.4° | 120.0° |
| CAT | CAU | PAV | 122.1° | 120.0° |
| CAT | CAU | CAM | 119.0° | 120.0° |
| CAQ | NAO | CAS | 121.2° | 120.1° |
| CAQ | NAO | H9 | 119.4° | 120.0° |
| CAH | CAI | CAM | 123.3° | 120.1° |
| CAH | CAI | H4 | 118.3° | 120.0° |
| CAI | CAH | H5 | 120.2° | 119.9° |
| PAV | CAU | CAM | 118.9° | 120.0° |
| CAU | PAV | OAB | 108.0° | 109.5° |
| CAU | PAV | OAD | 108.2° | 109.5° |
| CAU | CAM | CAI | 116.9° | 120.0° |
| CAU | CAM | H3 | 121.6° | 120.0° |
| OAB | PAV | OAD | 111.3° | 109.5° |
| PAV | OAB | H2 | 109.5° | 114.0° |
| PAV | OAD | H1 | 109.5° | 114.0° |
| CAI | CAM | H3 | 121.5° | 119.9° |
| CAM | CAI | H4 | 118.3° | 119.9° |
| NAO | CAS | CAR | 118.4° | 120.1° |
| CAS | NAO | H9 | 119.4° | 120.0° |
| CAS | CAR | CAJ | 121.6° | 119.9° |
| CAS | CAR | CL1 | 120.9° | 120.0° |
| CAF | CAJ | CAR | 118.4° | 120.1° |
| CAF | CAJ | H10 | 120.8° | 120.0° |
| CAJ | CAF | H11 | 119.1° | 120.0° |
| CAJ | CAR | CL1 | 117.5° | 120.1° |
| CAR | CAJ | H10 | 120.8° | 119.9° |
| H7 | CAN | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | PAV | CAU | CAT | 63.5° | 89.8° |
| OAC | PAV | CAU | OAB | 122.0° | 120.0° |
| OAC | PAV | CAU | OAD | 117.4° | 120.0° |
| OAC | PAV | CAU | CAM | 116.1° | 90.0° |
| OAC | PAV | OAB | OAD | 128.3° | 120.0° |
| OAC | PAV | OAD | H1 | 0.0° | 60.0° |
| OAC | PAV | OAB | H2 | 0.0° | 179.9° |
| CAG | CAK | CAS | H13 | 180.0° | 179.5° |
| CAK | CAG | CAF | H12 | 180.0° | 179.8° |
| CAG | CAK | CAS | NAO | 173.5° | 179.7° |
| CAG | CAK | CAS | CAR | 5.0° | 0.6° |
| CAK | CAG | CAF | CAJ | 5.5° | 0.3° |
| CAK | CAG | CAF | H11 | 174.5° | 179.7° |
| CAS | CAK | CAG | CAF | 4.7° | 0.5° |
| CAK | CAS | NAO | CAQ | 72.1° | 34.7° |
| CAK | CAS | NAO | CAR | 168.4° | 179.7° |
| CAK | CAS | CAR | CAJ | 6.3° | 0.3° |
| CAK | CAS | CAR | CL1 | 174.1° | 179.7° |
| CAK | CAS | NAO | H9 | 107.9° | 145.4° |
| CAS | CAK | CAG | H12 | 175.3° | 179.7° |
| OAP | CAN | CAQ | H7 | 119.8° | 120.0° |
| OAP | CAN | CAQ | H8 | 119.8° | 120.1° |
| CAN | OAP | CAT | CAL | 25.2° | 0.0° |
| OAP | CAN | CAQ | OAA | 160.9° | 0.1° |
| CAN | OAP | CAT | CAU | 155.8° | 179.4° |
| OAP | CAN | CAQ | NAO | 19.1° | 180.0° |
| OAP | CAN | H7 | H8 | 120.8° | 119.9° |
| CAT | OAP | CAN | CAQ | 155.2° | 180.0° |
| OAP | CAT | CAL | CAU | 178.8° | 179.4° |
| OAP | CAT | CAL | CAH | 177.1° | 180.0° |
| OAP | CAT | CAU | PAV | 1.5° | 0.2° |
| OAP | CAT | CAU | CAM | 178.2° | 180.0° |
| OAP | CAT | CAL | H6 | 2.8° | 0.6° |
| CAT | OAP | CAN | H7 | 85.1° | 60.0° |
| CAT | OAP | CAN | H8 | 35.4° | 59.9° |
| CAG | CAF | CAJ | H11 | 180.0° | 180.0° |
| CAG | CAF | CAJ | CAR | 6.6° | 0.0° |
| CAG | CAF | CAJ | H10 | 173.4° | 180.0° |
| CAF | CAG | CAK | H13 | 175.4° | 180.0° |
| CAN | CAQ | OAA | NAO | 180.0° | 179.9° |
| CAN | CAQ | NAO | CAS | 173.4° | 175.5° |
| CAQ | CAN | H7 | H8 | 120.7° | 120.0° |
| CAN | CAQ | NAO | H9 | 6.6° | 4.5° |
| CAT | CAL | CAH | H6 | 180.0° | 179.5° |
| CAT | CAL | CAH | CAI | 3.4° | 0.3° |
| CAL | CAT | CAU | PAV | 179.6° | 179.7° |
| CAL | CAT | CAU | CAM | 0.7° | 0.5° |
| CAT | CAL | CAH | H5 | 176.6° | 179.7° |
| CAH | CAL | CAT | CAU | 1.7° | 0.5° |
| CAL | CAH | CAI | H5 | 180.0° | 180.0° |
| CAL | CAH | CAI | CAM | 4.5° | 0.0° |
| CAL | CAH | CAI | H4 | 175.5° | 180.0° |
| OAA | CAQ | NAO | CAS | 6.6° | 4.4° |
| OAA | CAQ | CAN | H7 | 41.2° | 120.1° |
| OAA | CAQ | CAN | H8 | 79.3° | 120.0° |
| OAA | CAQ | NAO | H9 | 173.4° | 175.6° |
| CAT | CAU | PAV | CAM | 179.7° | 179.8° |
| CAT | CAU | PAV | OAB | 174.5° | 150.3° |
| CAT | CAU | PAV | OAD | 53.9° | 30.2° |
| CAT | CAU | CAM | CAI | 1.5° | 0.3° |
| CAT | CAU | CAM | H3 | 178.5° | 179.8° |
| CAU | CAT | CAL | H6 | 178.4° | 180.0° |
| CAQ | NAO | CAS | H9 | 180.0° | 180.0° |
| CAQ | NAO | CAS | CAR | 119.5° | 145.0° |
| NAO | CAQ | CAN | H7 | 138.9° | 60.0° |
| NAO | CAQ | CAN | H8 | 100.7° | 59.9° |
| CAH | CAI | CAM | CAU | 3.5° | 0.0° |
| CAH | CAI | CAM | H4 | 180.0° | 180.0° |
| CAH | CAI | CAM | H3 | 176.5° | 180.0° |
| CAI | CAH | CAL | H6 | 176.6° | 179.7° |
| CAU | PAV | OAB | OAD | 118.7° | 120.0° |
| PAV | CAU | CAM | CAI | 178.8° | 179.9° |
| CAU | PAV | OAD | H1 | 111.0° | 180.0° |
| CAU | PAV | OAB | H2 | 113.1° | 60.1° |
| PAV | CAU | CAM | H3 | 1.2° | 0.0° |
| CAM | CAU | PAV | OAB | 5.9° | 30.0° |
| CAM | CAU | PAV | OAD | 126.5° | 150.0° |
| CAU | CAM | CAI | H3 | 180.0° | 179.9° |
| CAU | CAM | CAI | H4 | 176.5° | 180.0° |
| OAB | PAV | OAD | H1 | 130.5° | 60.0° |
| OAD | PAV | OAB | H2 | 128.3° | 59.9° |
| CAM | CAI | CAH | H5 | 175.5° | 179.9° |
| NAO | CAS | CAR | CAJ | 175.3° | 180.0° |
| NAO | CAS | CAR | CL1 | 5.1° | 0.0° |
| NAO | CAS | CAK | H13 | 6.6° | 0.2° |
| CAS | CAR | CAJ | CAF | 7.1° | 0.0° |
| CAS | CAR | CAJ | CL1 | 179.6° | 180.0° |
| CAR | CAS | NAO | H9 | 60.5° | 34.9° |
| CAS | CAR | CAJ | H10 | 173.0° | 180.0° |
| CAR | CAS | CAK | H13 | 175.1° | 179.9° |
| CAF | CAJ | CAR | H10 | 180.0° | 180.0° |
| CAF | CAJ | CAR | CL1 | 173.3° | 180.0° |
| CAJ | CAF | CAG | H12 | 174.5° | 180.0° |
| CAR | CAJ | CAF | H11 | 173.4° | 180.0° |
| CL1 | CAR | CAJ | H10 | 6.6° | 0.0° |
| H3 | CAM | CAI | H4 | 3.5° | 0.1° |
| H4 | CAI | CAH | H5 | 4.5° | 0.1° |
| H5 | CAH | CAL | H6 | 3.4° | 0.2° |
| H10 | CAJ | CAF | H11 | 6.6° | 0.0° |
| H11 | CAF | CAG | H12 | 5.6° | 0.0° |
| H12 | CAG | CAK | H13 | 4.7° | 0.2° |
