YY2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAE | sing | 1.74Å | 1.71Å | |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | OAG | sing | 1.43Å | 1.44Å | |
| CAL | CAM | sing | 1.51Å | 1.53Å | |
| NAT | CAK | sing | 1.47Å | 1.47Å | |
| OAG | CAF | sing | 1.36Å | 1.38Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAK | sing | 1.51Å | 1.39Å | |
| CAC | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| OAN | CAM | doub | 1.21Å | 1.24Å | |
| CAM | NAO | sing | 1.35Å | 1.35Å | |
| CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAA | OAH | sing | 1.36Å | 1.36Å | |
| NAO | CAP | sing | 1.46Å | 1.49Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| OAH | CAI | sing | 1.43Å | 1.45Å | |
| CAP | CAS | sing | 1.53Å | 1.53Å | |
| CAP | CAR | sing | 1.53Å | 1.52Å | |
| CAQ | H1 | sing | 1.09Å | 1.10Å | |
| CAQ | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| NAO | H10 | sing | 0.97Å | 1.00Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAD | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| NAT | H16 | sing | 1.01Å | 1.00Å | |
| NAT | H17 | sing | 1.01Å | 1.00Å | |
| CAB | H19 | sing | 1.08Å | 1.08Å | |
| CAI | H20 | sing | 1.09Å | 1.10Å | |
| CAI | H21 | sing | 1.09Å | 1.10Å | |
| CAI | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAE | CAD | 122.7° | 120.0° |
| CL1 | CAE | CAF | 117.9° | 120.0° |
| CAD | CAE | CAF | 119.4° | 120.0° |
| CAE | CAD | CAC | 119.9° | 120.1° |
| CAE | CAD | H13 | 120.0° | 120.0° |
| CAE | CAF | OAG | 118.0° | 120.1° |
| CAE | CAF | CAA | 121.6° | 119.8° |
| CAD | CAC | CAK | 122.7° | 119.9° |
| CAD | CAC | CAB | 119.9° | 120.2° |
| CAC | CAD | H13 | 120.1° | 119.9° |
| OAG | CAL | CAM | 110.4° | 109.5° |
| CAL | OAG | CAF | 117.3° | 117.0° |
| OAG | CAL | H11 | 109.3° | 109.5° |
| OAG | CAL | H12 | 109.2° | 109.5° |
| CAL | CAM | OAN | 120.6° | 120.0° |
| CAL | CAM | NAO | 113.9° | 120.0° |
| CAM | CAL | H11 | 109.2° | 109.4° |
| CAM | CAL | H12 | 109.2° | 109.4° |
| NAT | CAK | CAC | 110.2° | 109.5° |
| NAT | CAK | H14 | 109.3° | 109.5° |
| NAT | CAK | H15 | 109.3° | 109.5° |
| CAK | NAT | H16 | 109.5° | 111.0° |
| CAK | NAT | H17 | 109.4° | 111.0° |
| OAG | CAF | CAA | 120.4° | 120.1° |
| CAF | CAA | CAB | 119.0° | 119.9° |
| CAF | CAA | OAH | 115.3° | 120.1° |
| CAK | CAC | CAB | 117.5° | 119.9° |
| CAC | CAK | H14 | 109.3° | 109.5° |
| CAC | CAK | H15 | 109.3° | 109.4° |
| CAC | CAB | CAA | 120.2° | 120.0° |
| CAC | CAB | H19 | 119.9° | 120.0° |
| OAN | CAM | NAO | 125.5° | 120.0° |
| CAM | NAO | CAP | 121.5° | 120.0° |
| CAM | NAO | H10 | 119.2° | 120.0° |
| CAB | CAA | OAH | 125.7° | 120.0° |
| CAA | CAB | H19 | 119.9° | 120.0° |
| CAA | OAH | CAI | 121.4° | 117.0° |
| NAO | CAP | CAQ | 112.4° | 109.5° |
| NAO | CAP | CAS | 109.5° | 109.4° |
| NAO | CAP | CAR | 109.1° | 109.5° |
| CAP | NAO | H10 | 119.2° | 120.0° |
| CAQ | CAP | CAS | 111.2° | 109.5° |
| CAQ | CAP | CAR | 106.7° | 109.5° |
| CAP | CAQ | H1 | 109.5° | 109.5° |
| CAP | CAQ | H2 | 109.5° | 109.4° |
| CAP | CAQ | H3 | 109.5° | 109.5° |
| OAH | CAI | H20 | 109.5° | 109.4° |
| OAH | CAI | H21 | 109.5° | 109.5° |
| OAH | CAI | H22 | 109.5° | 109.4° |
| CAS | CAP | CAR | 107.9° | 109.5° |
| CAP | CAS | H7 | 109.5° | 109.5° |
| CAP | CAS | H8 | 109.5° | 109.5° |
| CAP | CAS | H9 | 109.5° | 109.4° |
| CAP | CAR | H4 | 109.5° | 109.5° |
| CAP | CAR | H5 | 109.5° | 109.5° |
| CAP | CAR | H6 | 109.5° | 109.5° |
| H1 | CAQ | H2 | 109.5° | 109.5° |
| H1 | CAQ | H3 | 109.5° | 109.4° |
| H2 | CAQ | H3 | 109.5° | 109.5° |
| H4 | CAR | H5 | 109.5° | 109.5° |
| H4 | CAR | H6 | 109.5° | 109.5° |
| H5 | CAR | H6 | 109.4° | 109.4° |
| H7 | CAS | H8 | 109.5° | 109.5° |
| H7 | CAS | H9 | 109.5° | 109.5° |
| H8 | CAS | H9 | 109.4° | 109.5° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H14 | CAK | H15 | 109.5° | 109.5° |
| H16 | NAT | H17 | 109.5° | 111.1° |
| H20 | CAI | H21 | 109.5° | 109.5° |
| H20 | CAI | H22 | 109.5° | 109.5° |
| H21 | CAI | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAE | CAD | CAF | 179.8° | 179.9° |
| CL1 | CAE | CAD | CAC | 180.0° | 180.0° |
| CL1 | CAE | CAF | OAG | 0.5° | 0.1° |
| CL1 | CAE | CAF | CAA | 179.8° | 179.7° |
| CL1 | CAE | CAD | H13 | 0.0° | 0.1° |
| CAE | CAD | CAC | H13 | 180.0° | 179.9° |
| CAD | CAE | CAF | OAG | 179.7° | 180.0° |
| CAD | CAE | CAF | CAA | 0.3° | 0.2° |
| CAE | CAD | CAC | CAK | 179.8° | 180.0° |
| CAE | CAD | CAC | CAB | 0.1° | 0.1° |
| CAF | CAE | CAD | CAC | 0.2° | 0.1° |
| CAE | CAF | OAG | CAL | 96.1° | 89.8° |
| CAE | CAF | OAG | CAA | 179.4° | 179.8° |
| CAE | CAF | CAA | CAB | 0.4° | 0.5° |
| CAE | CAF | CAA | OAH | 179.9° | 179.7° |
| CAF | CAE | CAD | H13 | 179.8° | 180.0° |
| CAD | CAC | CAK | NAT | 43.8° | 90.0° |
| CAD | CAC | CAK | CAB | 179.7° | 179.9° |
| CAD | CAC | CAB | CAA | 0.2° | 0.2° |
| CAD | CAC | CAK | H14 | 76.3° | 150.0° |
| CAD | CAC | CAK | H15 | 163.9° | 30.0° |
| CAD | CAC | CAB | H19 | 179.8° | 180.0° |
| OAG | CAL | CAM | H11 | 120.2° | 120.0° |
| OAG | CAL | CAM | H12 | 120.1° | 120.1° |
| CAL | OAG | CAF | CAA | 84.5° | 90.0° |
| OAG | CAL | CAM | OAN | 162.6° | 0.0° |
| OAG | CAL | CAM | NAO | 16.6° | 180.0° |
| OAG | CAL | H11 | H12 | 119.6° | 120.1° |
| CAM | CAL | OAG | CAF | 133.5° | 180.0° |
| CAL | CAM | OAN | NAO | 179.1° | 180.0° |
| CAL | CAM | NAO | CAP | 179.4° | 180.0° |
| CAL | CAM | NAO | H10 | 0.6° | 0.1° |
| CAM | CAL | H11 | H12 | 119.6° | 119.9° |
| NAT | CAK | CAC | H14 | 120.1° | 120.0° |
| NAT | CAK | CAC | H15 | 120.1° | 120.0° |
| NAT | CAK | CAC | CAB | 136.5° | 90.0° |
| NAT | CAK | H14 | H15 | 119.6° | 120.1° |
| CAK | NAT | H16 | H17 | 120.0° | 124.0° |
| OAG | CAF | CAA | CAB | 179.8° | 179.7° |
| OAG | CAF | CAA | OAH | 0.6° | 0.0° |
| CAF | OAG | CAL | H11 | 106.3° | 60.0° |
| CAF | OAG | CAL | H12 | 13.4° | 60.0° |
| CAF | CAA | CAB | CAC | 0.3° | 0.5° |
| CAF | CAA | CAB | OAH | 179.6° | 179.8° |
| CAF | CAA | OAH | CAI | 158.7° | 180.0° |
| CAF | CAA | CAB | H19 | 179.7° | 179.7° |
| CAK | CAC | CAB | CAA | 179.9° | 179.8° |
| CAK | CAC | CAD | H13 | 0.2° | 0.1° |
| CAC | CAK | H14 | H15 | 119.7° | 119.9° |
| CAC | CAK | NAT | H16 | 180.0° | 180.0° |
| CAC | CAK | NAT | H17 | 60.0° | 56.0° |
| CAK | CAC | CAB | H19 | 0.1° | 0.1° |
| CAC | CAB | CAA | H19 | 180.0° | 179.8° |
| CAC | CAB | CAA | OAH | 180.0° | 179.8° |
| CAB | CAC | CAD | H13 | 179.9° | 180.0° |
| CAB | CAC | CAK | H14 | 103.4° | 30.0° |
| CAB | CAC | CAK | H15 | 16.4° | 150.0° |
| OAN | CAM | NAO | CAP | 1.5° | 0.0° |
| OAN | CAM | NAO | H10 | 178.5° | 179.9° |
| OAN | CAM | CAL | H11 | 42.4° | 120.0° |
| OAN | CAM | CAL | H12 | 77.3° | 120.0° |
| CAM | NAO | CAP | H10 | 180.0° | 179.9° |
| CAM | NAO | CAP | CAQ | 56.3° | 60.0° |
| CAM | NAO | CAP | CAS | 67.7° | 180.0° |
| CAM | NAO | CAP | CAR | 174.4° | 60.0° |
| NAO | CAM | CAL | H11 | 136.7° | 60.0° |
| NAO | CAM | CAL | H12 | 103.5° | 60.0° |
| CAB | CAA | OAH | CAI | 21.7° | 0.2° |
| OAH | CAA | CAB | H19 | 0.1° | 0.1° |
| CAA | OAH | CAI | H20 | 180.0° | 180.0° |
| CAA | OAH | CAI | H21 | 60.0° | 60.0° |
| CAA | OAH | CAI | H22 | 60.0° | 60.0° |
| NAO | CAP | CAQ | CAS | 123.1° | 120.0° |
| NAO | CAP | CAQ | CAR | 119.5° | 120.0° |
| NAO | CAP | CAS | CAR | 118.6° | 120.0° |
| NAO | CAP | CAQ | H1 | 180.0° | 180.0° |
| NAO | CAP | CAQ | H2 | 60.0° | 60.0° |
| NAO | CAP | CAQ | H3 | 60.0° | 60.0° |
| NAO | CAP | CAR | H4 | 180.0° | 180.0° |
| NAO | CAP | CAR | H5 | 60.0° | 60.0° |
| NAO | CAP | CAR | H6 | 60.0° | 60.0° |
| NAO | CAP | CAS | H7 | 180.0° | 60.0° |
| NAO | CAP | CAS | H8 | 60.0° | 60.1° |
| NAO | CAP | CAS | H9 | 60.0° | 180.0° |
| CAQ | CAP | CAS | CAR | 116.7° | 120.0° |
| CAP | CAQ | H1 | H2 | 120.0° | 120.0° |
| CAP | CAQ | H1 | H3 | 120.0° | 120.0° |
| CAP | CAQ | H2 | H3 | 120.0° | 120.0° |
| CAQ | CAP | CAR | H4 | 58.4° | 60.0° |
| CAQ | CAP | CAR | H5 | 178.4° | 180.0° |
| CAQ | CAP | CAR | H6 | 61.6° | 60.0° |
| CAQ | CAP | CAS | H7 | 55.3° | 60.0° |
| CAQ | CAP | CAS | H8 | 64.7° | 180.0° |
| CAQ | CAP | CAS | H9 | 175.3° | 60.0° |
| CAQ | CAP | NAO | H10 | 123.7° | 120.1° |
| OAH | CAI | H20 | H21 | 120.0° | 120.0° |
| OAH | CAI | H20 | H22 | 120.0° | 119.9° |
| OAH | CAI | H21 | H22 | 120.0° | 120.0° |
| CAS | CAP | CAQ | H1 | 56.9° | 60.0° |
| CAS | CAP | CAQ | H2 | 176.9° | 179.9° |
| CAS | CAP | CAQ | H3 | 63.1° | 60.0° |
| CAS | CAP | CAR | H4 | 61.2° | 60.1° |
| CAS | CAP | CAR | H5 | 58.9° | 60.0° |
| CAS | CAP | CAR | H6 | 178.8° | 180.0° |
| CAP | CAS | H7 | H8 | 120.0° | 120.0° |
| CAP | CAS | H7 | H9 | 120.0° | 119.9° |
| CAP | CAS | H8 | H9 | 120.0° | 119.9° |
| CAS | CAP | NAO | H10 | 112.3° | 0.1° |
| CAR | CAP | CAQ | H1 | 60.5° | 60.0° |
| CAR | CAP | CAQ | H2 | 59.5° | 60.0° |
| CAR | CAP | CAQ | H3 | 179.5° | 180.0° |
| CAP | CAR | H4 | H5 | 120.0° | 120.0° |
| CAP | CAR | H4 | H6 | 120.0° | 120.0° |
| CAP | CAR | H5 | H6 | 120.0° | 120.0° |
| CAR | CAP | CAS | H7 | 61.5° | 180.0° |
| CAR | CAP | CAS | H8 | 178.5° | 59.9° |
| CAR | CAP | CAS | H9 | 58.6° | 60.0° |
| CAR | CAP | NAO | H10 | 5.6° | 119.9° |
| H1 | CAQ | H2 | H3 | 120.0° | 120.0° |
| H4 | CAR | H5 | H6 | 120.0° | 120.0° |
| H7 | CAS | H8 | H9 | 120.0° | 120.0° |
| H14 | CAK | NAT | H16 | 59.9° | 60.0° |
| H14 | CAK | NAT | H17 | 60.1° | 176.0° |
| H15 | CAK | NAT | H16 | 59.9° | 60.1° |
| H15 | CAK | NAT | H17 | 179.9° | 63.9° |
| H20 | CAI | H21 | H22 | 120.0° | 120.0° |
