9D3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | NAO | doub | 1.30Å | 1.39Å | |
| CAI | NAQ | sing | 1.36Å | 1.32Å | |
| NAO | CAX | sing | 1.35Å | 1.34Å | |
| NAQ | CAW | sing | 1.35Å | 1.44Å | |
| CAX | CAY | doub | 1.39Å | 1.37Å | Aromatic |
| CAX | SAR | sing | 1.76Å | 1.68Å | Aromatic |
| CAW | OAD | doub | 1.22Å | 1.24Å | |
| CAW | CAY | sing | 1.43Å | 1.37Å | |
| CAY | CAV | sing | 1.46Å | 1.39Å | Aromatic |
| SAR | CAJ | sing | 1.70Å | 1.66Å | Aromatic |
| CAV | CAJ | doub | 1.34Å | 1.36Å | Aromatic |
| CAV | CAS | sing | 1.47Å | 1.37Å | |
| NAP | CAS | sing | 1.35Å | 1.33Å | |
| NAP | CAM | sing | 1.47Å | 1.46Å | |
| CAS | OAC | doub | 1.22Å | 1.24Å | |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAT | sing | 1.51Å | 1.37Å | |
| CAH | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAU | CAN | sing | 1.51Å | 1.40Å | |
| CAU | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | NAZ | sing | 1.47Å | 1.49Å | |
| CAK | NAZ | sing | 1.47Å | 1.49Å | |
| CAK | CAA | sing | 1.53Å | 1.55Å | |
| NAZ | CAL | sing | 1.47Å | 1.49Å | |
| CAL | CAB | sing | 1.53Å | 1.54Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAB | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAE | H17 | sing | 1.08Å | 1.08Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| NAP | H20 | sing | 0.97Å | 1.00Å | |
| CAI | H21 | sing | 1.08Å | 1.08Å | |
| CAJ | H23 | sing | 1.08Å | 1.08Å | |
| NAQ | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAO | CAI | NAQ | 117.1° | 121.9° |
| CAI | NAO | CAX | 122.4° | 121.7° |
| NAO | CAI | H21 | 121.5° | 119.1° |
| CAI | NAQ | CAW | 120.6° | 120.3° |
| NAQ | CAI | H21 | 121.4° | 119.1° |
| CAI | NAQ | H6 | 119.7° | 119.9° |
| NAO | CAX | CAY | 122.9° | 119.4° |
| NAO | CAX | SAR | 126.5° | 130.9° |
| NAQ | CAW | OAD | 114.4° | 120.7° |
| NAQ | CAW | CAY | 121.7° | 118.7° |
| CAW | NAQ | H6 | 119.7° | 119.9° |
| CAY | CAX | SAR | 110.5° | 109.7° |
| CAX | CAY | CAW | 115.2° | 118.1° |
| CAX | CAY | CAV | 110.8° | 111.4° |
| CAX | SAR | CAJ | 94.3° | 93.0° |
| OAD | CAW | CAY | 123.8° | 120.7° |
| CAW | CAY | CAV | 134.0° | 130.5° |
| CAY | CAV | CAJ | 115.2° | 113.8° |
| CAY | CAV | CAS | 129.6° | 123.1° |
| SAR | CAJ | CAV | 109.1° | 112.1° |
| SAR | CAJ | H23 | 125.4° | 124.0° |
| CAJ | CAV | CAS | 115.0° | 123.1° |
| CAV | CAJ | H23 | 125.4° | 123.9° |
| CAV | CAS | NAP | 119.0° | 120.0° |
| CAV | CAS | OAC | 120.5° | 120.0° |
| CAS | NAP | CAM | 123.4° | 120.0° |
| NAP | CAS | OAC | 120.5° | 120.0° |
| CAS | NAP | H20 | 118.3° | 120.0° |
| NAP | CAM | CAT | 106.9° | 109.5° |
| NAP | CAM | H18 | 110.1° | 109.5° |
| NAP | CAM | H19 | 110.1° | 109.5° |
| CAM | NAP | H20 | 118.3° | 120.0° |
| CAH | CAF | CAT | 118.5° | 120.0° |
| CAF | CAH | CAU | 121.4° | 120.0° |
| CAF | CAH | H14 | 119.3° | 120.0° |
| CAH | CAF | H15 | 120.7° | 120.0° |
| CAF | CAT | CAM | 119.4° | 120.0° |
| CAF | CAT | CAE | 120.7° | 120.0° |
| CAT | CAF | H15 | 120.7° | 120.0° |
| CAM | CAT | CAE | 119.9° | 120.0° |
| CAT | CAM | H18 | 110.1° | 109.5° |
| CAT | CAM | H19 | 110.1° | 109.5° |
| CAH | CAU | CAN | 119.3° | 120.0° |
| CAH | CAU | CAG | 119.8° | 120.0° |
| CAU | CAH | H14 | 119.3° | 120.0° |
| CAT | CAE | CAG | 120.5° | 120.0° |
| CAT | CAE | H17 | 119.8° | 120.0° |
| CAN | CAU | CAG | 120.9° | 120.0° |
| CAU | CAN | NAZ | 112.2° | 109.5° |
| CAU | CAN | H12 | 108.8° | 109.5° |
| CAU | CAN | H13 | 108.8° | 109.5° |
| CAU | CAG | CAE | 119.1° | 120.0° |
| CAU | CAG | H16 | 120.5° | 120.0° |
| CAE | CAG | H16 | 120.4° | 120.0° |
| CAG | CAE | H17 | 119.8° | 120.0° |
| CAN | NAZ | CAK | 107.8° | 111.0° |
| CAN | NAZ | CAL | 107.7° | 111.0° |
| NAZ | CAN | H12 | 108.8° | 109.4° |
| NAZ | CAN | H13 | 108.8° | 109.4° |
| NAZ | CAK | CAA | 115.2° | 109.5° |
| CAK | NAZ | CAL | 112.7° | 111.0° |
| NAZ | CAK | H4 | 108.0° | 109.5° |
| NAZ | CAK | H5 | 108.0° | 109.4° |
| CAK | CAA | H1 | 109.5° | 109.5° |
| CAK | CAA | H2 | 109.5° | 109.4° |
| CAK | CAA | H3 | 109.5° | 109.5° |
| CAA | CAK | H4 | 108.1° | 109.5° |
| CAA | CAK | H5 | 108.0° | 109.4° |
| NAZ | CAL | CAB | 113.2° | 109.5° |
| NAZ | CAL | H7 | 108.5° | 109.5° |
| NAZ | CAL | H8 | 108.5° | 109.5° |
| CAB | CAL | H7 | 108.5° | 109.4° |
| CAB | CAL | H8 | 108.5° | 109.5° |
| CAL | CAB | H9 | 109.5° | 109.5° |
| CAL | CAB | H10 | 109.5° | 109.4° |
| CAL | CAB | H11 | 109.5° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H7 | CAL | H8 | 109.5° | 109.4° |
| H9 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H11 | 109.5° | 109.5° |
| H10 | CAB | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.4° | 109.5° |
| H18 | CAM | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAO | CAI | NAQ | H21 | 180.0° | 180.0° |
| NAO | CAI | NAQ | CAW | 1.8° | 0.1° |
| CAI | NAO | CAX | CAY | 2.8° | 0.0° |
| CAI | NAO | CAX | SAR | 178.1° | 180.0° |
| NAO | CAI | NAQ | H6 | 178.2° | 179.9° |
| NAQ | CAI | NAO | CAX | 1.2° | 0.0° |
| CAI | NAQ | CAW | H6 | 180.0° | 179.8° |
| CAI | NAQ | CAW | OAD | 175.8° | 180.0° |
| CAI | NAQ | CAW | CAY | 3.5° | 0.1° |
| NAO | CAX | CAY | SAR | 175.9° | 179.9° |
| NAO | CAX | CAY | CAW | 1.1° | 0.1° |
| NAO | CAX | CAY | CAV | 177.5° | 180.0° |
| NAO | CAX | SAR | CAJ | 175.8° | 180.0° |
| CAX | NAO | CAI | H21 | 178.8° | 180.0° |
| NAQ | CAW | CAY | CAX | 1.9° | 0.0° |
| NAQ | CAW | OAD | CAY | 179.3° | 180.0° |
| NAQ | CAW | CAY | CAV | 179.9° | 180.0° |
| CAW | NAQ | CAI | H21 | 178.2° | 180.0° |
| CAX | CAY | CAW | OAD | 177.4° | 180.0° |
| CAX | CAY | CAW | CAV | 178.2° | 180.0° |
| CAY | CAX | SAR | CAJ | 0.0° | 0.0° |
| CAX | CAY | CAV | CAJ | 2.9° | 0.0° |
| CAX | CAY | CAV | CAS | 178.4° | 179.7° |
| SAR | CAX | CAY | CAW | 177.0° | 180.0° |
| SAR | CAX | CAY | CAV | 1.6° | 0.0° |
| CAX | SAR | CAJ | CAV | 1.6° | 0.0° |
| CAX | SAR | CAJ | H23 | 178.5° | 179.8° |
| OAD | CAW | CAY | CAV | 0.9° | 0.0° |
| OAD | CAW | NAQ | H6 | 4.2° | 0.1° |
| CAW | CAY | CAV | CAJ | 175.4° | 180.0° |
| CAW | CAY | CAV | CAS | 0.2° | 0.3° |
| CAY | CAW | NAQ | H6 | 176.5° | 179.9° |
| CAY | CAV | CAJ | SAR | 2.8° | 0.0° |
| CAY | CAV | CAJ | CAS | 176.2° | 179.7° |
| CAY | CAV | CAS | NAP | 13.6° | 179.7° |
| CAY | CAV | CAS | OAC | 168.1° | 0.3° |
| CAY | CAV | CAJ | H23 | 177.2° | 179.8° |
| SAR | CAJ | CAV | H23 | 180.0° | 179.8° |
| SAR | CAJ | CAV | CAS | 179.0° | 179.7° |
| CAJ | CAV | CAS | NAP | 170.8° | 0.1° |
| CAJ | CAV | CAS | OAC | 7.4° | 180.0° |
| CAV | CAS | NAP | OAC | 178.2° | 179.9° |
| CAV | CAS | NAP | CAM | 179.5° | 180.0° |
| CAV | CAS | NAP | H20 | 0.5° | 0.0° |
| CAS | CAV | CAJ | H23 | 1.0° | 0.1° |
| CAS | NAP | CAM | H20 | 180.0° | 180.0° |
| CAS | NAP | CAM | CAT | 121.9° | 180.0° |
| CAS | NAP | CAM | H18 | 118.6° | 60.0° |
| CAS | NAP | CAM | H19 | 2.3° | 60.0° |
| CAM | NAP | CAS | OAC | 2.3° | 0.0° |
| NAP | CAM | CAT | CAF | 87.1° | 90.0° |
| NAP | CAM | CAT | H18 | 119.6° | 120.0° |
| NAP | CAM | CAT | H19 | 119.6° | 120.0° |
| NAP | CAM | CAT | CAE | 91.6° | 89.7° |
| NAP | CAM | H18 | H19 | 121.2° | 120.0° |
| OAC | CAS | NAP | H20 | 177.7° | 180.0° |
| CAH | CAF | CAT | H15 | 180.0° | 179.9° |
| CAH | CAF | CAT | CAM | 179.6° | 179.9° |
| CAF | CAH | CAU | H14 | 180.0° | 180.0° |
| CAH | CAF | CAT | CAE | 1.8° | 0.3° |
| CAF | CAH | CAU | CAN | 178.7° | 180.0° |
| CAF | CAH | CAU | CAG | 2.3° | 0.2° |
| CAF | CAT | CAM | CAE | 178.7° | 179.7° |
| CAT | CAF | CAH | CAU | 0.3° | 0.0° |
| CAF | CAT | CAE | CAG | 2.0° | 0.4° |
| CAT | CAF | CAH | H14 | 179.7° | 180.0° |
| CAF | CAT | CAE | H17 | 178.0° | 179.7° |
| CAF | CAT | CAM | H18 | 32.5° | 150.0° |
| CAF | CAT | CAM | H19 | 153.3° | 30.0° |
| CAM | CAT | CAE | CAG | 179.3° | 179.9° |
| CAM | CAT | CAF | H15 | 0.4° | 0.0° |
| CAM | CAT | CAE | H17 | 0.6° | 0.1° |
| CAT | CAM | H18 | H19 | 121.2° | 120.0° |
| CAT | CAM | NAP | H20 | 58.1° | 0.0° |
| CAH | CAU | CAN | CAG | 179.0° | 179.8° |
| CAH | CAU | CAG | CAE | 2.0° | 0.2° |
| CAH | CAU | CAN | NAZ | 100.1° | 95.7° |
| CAH | CAU | CAN | H12 | 139.5° | 144.3° |
| CAH | CAU | CAN | H13 | 20.3° | 24.3° |
| CAU | CAH | CAF | H15 | 179.7° | 180.0° |
| CAH | CAU | CAG | H16 | 178.0° | 179.7° |
| CAT | CAE | CAG | CAU | 0.1° | 0.1° |
| CAT | CAE | CAG | H17 | 180.0° | 180.0° |
| CAE | CAT | CAF | H15 | 178.2° | 179.8° |
| CAT | CAE | CAG | H16 | 179.9° | 180.0° |
| CAE | CAT | CAM | H18 | 148.8° | 30.3° |
| CAE | CAT | CAM | H19 | 28.0° | 150.3° |
| CAN | CAU | CAG | CAE | 178.9° | 180.0° |
| CAU | CAN | NAZ | H12 | 120.4° | 120.0° |
| CAU | CAN | NAZ | H13 | 120.4° | 120.0° |
| CAU | CAN | NAZ | CAK | 126.1° | 75.5° |
| CAU | CAN | NAZ | CAL | 112.0° | 160.5° |
| CAU | CAN | H12 | H13 | 118.7° | 120.1° |
| CAN | CAU | CAH | H14 | 1.3° | 0.0° |
| CAN | CAU | CAG | H16 | 1.1° | 0.1° |
| CAU | CAG | CAE | H16 | 180.0° | 179.9° |
| CAG | CAU | CAN | NAZ | 80.9° | 84.1° |
| CAG | CAU | CAN | H12 | 39.6° | 35.9° |
| CAG | CAU | CAN | H13 | 158.7° | 155.9° |
| CAG | CAU | CAH | H14 | 177.7° | 179.8° |
| CAU | CAG | CAE | H17 | 179.9° | 179.9° |
| CAN | NAZ | CAK | CAL | 118.8° | 124.0° |
| CAN | NAZ | CAK | CAA | 166.7° | 169.9° |
| CAN | NAZ | CAL | CAB | 133.8° | 72.4° |
| CAN | NAZ | CAK | H4 | 72.4° | 70.0° |
| CAN | NAZ | CAK | H5 | 45.9° | 50.0° |
| CAN | NAZ | CAL | H7 | 13.3° | 167.6° |
| CAN | NAZ | CAL | H8 | 105.6° | 47.7° |
| NAZ | CAN | H12 | H13 | 118.7° | 119.9° |
| NAZ | CAK | CAA | H4 | 120.8° | 120.0° |
| NAZ | CAK | CAA | H5 | 120.8° | 120.0° |
| CAK | NAZ | CAL | CAB | 107.3° | 163.6° |
| NAZ | CAK | CAA | H1 | 180.0° | 179.9° |
| NAZ | CAK | CAA | H2 | 60.0° | 60.0° |
| NAZ | CAK | CAA | H3 | 60.0° | 60.0° |
| NAZ | CAK | H4 | H5 | 117.4° | 119.9° |
| CAK | NAZ | CAL | H7 | 132.1° | 43.6° |
| CAK | NAZ | CAL | H8 | 13.2° | 76.3° |
| CAK | NAZ | CAN | H12 | 113.5° | 164.5° |
| CAK | NAZ | CAN | H13 | 5.7° | 44.5° |
| CAA | CAK | NAZ | CAL | 74.5° | 66.1° |
| CAK | CAA | H1 | H2 | 120.0° | 119.9° |
| CAK | CAA | H1 | H3 | 120.0° | 120.1° |
| CAK | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAK | H4 | H5 | 117.4° | 120.0° |
| NAZ | CAL | CAB | H7 | 120.6° | 120.0° |
| NAZ | CAL | CAB | H8 | 120.6° | 120.1° |
| CAL | NAZ | CAK | H4 | 46.3° | 54.0° |
| CAL | NAZ | CAK | H5 | 164.7° | 174.0° |
| NAZ | CAL | H7 | H8 | 118.3° | 120.0° |
| NAZ | CAL | CAB | H9 | 180.0° | 179.0° |
| NAZ | CAL | CAB | H10 | 60.0° | 59.0° |
| NAZ | CAL | CAB | H11 | 60.0° | 61.0° |
| CAL | NAZ | CAN | H12 | 8.4° | 40.5° |
| CAL | NAZ | CAN | H13 | 127.6° | 79.5° |
| CAB | CAL | H7 | H8 | 118.3° | 120.0° |
| CAL | CAB | H9 | H10 | 120.0° | 119.9° |
| CAL | CAB | H9 | H11 | 120.0° | 120.0° |
| CAL | CAB | H10 | H11 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAK | H4 | 59.2° | 59.9° |
| H1 | CAA | CAK | H5 | 59.2° | 60.1° |
| H2 | CAA | CAK | H4 | 179.2° | 60.0° |
| H2 | CAA | CAK | H5 | 60.8° | 180.0° |
| H3 | CAA | CAK | H4 | 60.9° | 180.0° |
| H3 | CAA | CAK | H5 | 179.2° | 60.0° |
| H7 | CAL | CAB | H9 | 59.4° | 61.0° |
| H7 | CAL | CAB | H10 | 179.4° | 179.0° |
| H7 | CAL | CAB | H11 | 60.6° | 59.0° |
| H8 | CAL | CAB | H9 | 59.4° | 58.9° |
| H8 | CAL | CAB | H10 | 60.6° | 61.1° |
| H8 | CAL | CAB | H11 | 179.5° | 178.9° |
| H9 | CAB | H10 | H11 | 120.0° | 120.1° |
| H14 | CAH | CAF | H15 | 0.3° | 0.1° |
| H16 | CAG | CAE | H17 | 0.1° | 0.0° |
| H18 | CAM | NAP | H20 | 61.4° | 120.0° |
| H19 | CAM | NAP | H20 | 177.7° | 120.0° |
| H21 | CAI | NAQ | H6 | 1.8° | 0.1° |
