3G9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAR | doub | 1.22Å | 1.23Å | |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | CAS | sing | 1.74Å | 1.73Å | |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | CAR | sing | 1.48Å | 1.40Å | |
| CAR | NAW | sing | 1.35Å | 1.35Å | |
| NAW | CAM | sing | 1.47Å | 1.49Å | |
| NAW | CAN | sing | 1.47Å | 1.49Å | |
| CAM | CAO | sing | 1.53Å | 1.54Å | |
| CAO | NAX | sing | 1.47Å | 1.50Å | |
| CAN | CAP | sing | 1.53Å | 1.52Å | |
| CAP | NAX | sing | 1.47Å | 1.50Å | |
| NAX | CAV | sing | 1.39Å | 1.36Å | |
| CAV | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAV | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.37Å | 1.39Å | Aromatic |
| CAK | CAI | doub | 1.37Å | 1.40Å | Aromatic |
| CAH | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.40Å | 1.40Å | Aromatic |
| CAT | CAQ | sing | 1.47Å | 1.41Å | |
| CAQ | OAB | doub | 1.21Å | 1.23Å | |
| CAQ | CAA | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAE | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAR | CAU | 117.4° | 120.0° |
| OAC | CAR | NAW | 121.0° | 120.0° |
| CAE | CAF | CAS | 120.3° | 120.3° |
| CAF | CAE | CAG | 119.4° | 120.1° |
| CAE | CAF | H17 | 119.9° | 119.8° |
| CAF | CAE | H18 | 120.3° | 120.0° |
| CAF | CAS | CL1 | 119.5° | 119.9° |
| CAF | CAS | CAL | 120.3° | 120.1° |
| CAS | CAF | H17 | 119.8° | 119.9° |
| CL1 | CAS | CAL | 120.1° | 119.9° |
| CAE | CAG | CAU | 120.3° | 119.9° |
| CAG | CAE | H18 | 120.3° | 119.9° |
| CAE | CAG | H19 | 119.9° | 120.1° |
| CAS | CAL | CAU | 119.3° | 119.8° |
| CAS | CAL | H16 | 120.3° | 120.1° |
| CAG | CAU | CAL | 120.3° | 119.7° |
| CAG | CAU | CAR | 118.6° | 120.2° |
| CAU | CAG | H19 | 119.8° | 120.0° |
| CAL | CAU | CAR | 121.0° | 120.1° |
| CAU | CAL | H16 | 120.3° | 120.1° |
| CAU | CAR | NAW | 121.6° | 120.0° |
| CAR | NAW | CAM | 118.8° | 120.9° |
| CAR | NAW | CAN | 123.6° | 120.9° |
| CAM | NAW | CAN | 117.6° | 118.2° |
| NAW | CAM | CAO | 109.1° | 108.5° |
| NAW | CAM | H14 | 109.6° | 109.6° |
| NAW | CAM | H15 | 109.5° | 109.8° |
| NAW | CAN | CAP | 110.7° | 108.5° |
| NAW | CAN | H10 | 109.2° | 109.6° |
| NAW | CAN | H11 | 109.2° | 109.8° |
| CAM | CAO | NAX | 110.6° | 109.4° |
| CAM | CAO | H12 | 109.2° | 109.5° |
| CAM | CAO | H13 | 109.2° | 109.5° |
| CAO | CAM | H14 | 109.6° | 109.6° |
| CAO | CAM | H15 | 109.6° | 109.7° |
| CAO | NAX | CAP | 118.9° | 111.3° |
| CAO | NAX | CAV | 122.1° | 111.0° |
| NAX | CAO | H12 | 109.2° | 109.5° |
| NAX | CAO | H13 | 109.2° | 109.5° |
| CAN | CAP | NAX | 111.1° | 109.3° |
| CAN | CAP | H8 | 109.1° | 109.5° |
| CAN | CAP | H9 | 109.1° | 109.5° |
| CAP | CAN | H10 | 109.2° | 109.6° |
| CAP | CAN | H11 | 109.1° | 109.6° |
| CAP | NAX | CAV | 119.0° | 111.0° |
| NAX | CAP | H8 | 109.1° | 109.5° |
| NAX | CAP | H9 | 109.1° | 109.5° |
| NAX | CAV | CAJ | 120.7° | 119.9° |
| NAX | CAV | CAK | 120.7° | 119.9° |
| CAJ | CAV | CAK | 118.6° | 120.2° |
| CAV | CAJ | CAH | 120.1° | 120.1° |
| CAV | CAJ | H7 | 119.9° | 120.0° |
| CAV | CAK | CAI | 121.0° | 120.1° |
| CAV | CAK | H5 | 119.5° | 119.9° |
| CAJ | CAH | CAT | 121.7° | 119.9° |
| CAJ | CAH | H6 | 119.2° | 120.1° |
| CAH | CAJ | H7 | 120.0° | 119.9° |
| CAK | CAI | CAT | 120.4° | 119.9° |
| CAK | CAI | H4 | 119.8° | 120.1° |
| CAI | CAK | H5 | 119.5° | 119.9° |
| CAH | CAT | CAI | 118.1° | 119.8° |
| CAH | CAT | CAQ | 119.5° | 120.1° |
| CAT | CAH | H6 | 119.1° | 120.0° |
| CAI | CAT | CAQ | 122.4° | 120.1° |
| CAT | CAI | H4 | 119.8° | 120.0° |
| CAT | CAQ | OAB | 122.2° | 120.0° |
| CAT | CAQ | CAA | 118.8° | 120.0° |
| OAB | CAQ | CAA | 119.0° | 120.0° |
| CAQ | CAA | H1 | 109.5° | 109.5° |
| CAQ | CAA | H2 | 109.5° | 109.5° |
| CAQ | CAA | H3 | 109.5° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H10 | CAN | H11 | 109.5° | 109.7° |
| H12 | CAO | H13 | 109.5° | 109.5° |
| H14 | CAM | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAR | CAU | CAG | 103.8° | 140.9° |
| OAC | CAR | CAU | CAL | 74.4° | 38.9° |
| OAC | CAR | CAU | NAW | 178.4° | 179.9° |
| OAC | CAR | NAW | CAM | 1.0° | 174.2° |
| OAC | CAR | NAW | CAN | 179.5° | 5.7° |
| CAE | CAF | CAS | H17 | 180.0° | 179.7° |
| CAE | CAF | CAS | CL1 | 179.7° | 180.0° |
| CAF | CAE | CAG | H18 | 180.0° | 179.7° |
| CAE | CAF | CAS | CAL | 0.1° | 0.1° |
| CAF | CAE | CAG | CAU | 0.3° | 0.6° |
| CAF | CAE | CAG | H19 | 179.7° | 180.0° |
| CAF | CAS | CL1 | CAL | 179.8° | 179.9° |
| CAS | CAF | CAE | CAG | 0.3° | 0.3° |
| CAF | CAS | CAL | CAU | 0.6° | 0.0° |
| CAF | CAS | CAL | H16 | 179.4° | 180.0° |
| CAS | CAF | CAE | H18 | 179.8° | 180.0° |
| CL1 | CAS | CAL | CAU | 179.6° | 180.0° |
| CL1 | CAS | CAL | H16 | 0.4° | 0.0° |
| CL1 | CAS | CAF | H17 | 0.3° | 0.3° |
| CAE | CAG | CAU | H19 | 180.0° | 179.4° |
| CAE | CAG | CAU | CAL | 1.0° | 0.6° |
| CAE | CAG | CAU | CAR | 179.2° | 179.7° |
| CAG | CAE | CAF | H17 | 179.7° | 180.0° |
| CAS | CAL | CAU | CAG | 1.1° | 0.3° |
| CAS | CAL | CAU | H16 | 180.0° | 180.0° |
| CAS | CAL | CAU | CAR | 179.3° | 179.9° |
| CAL | CAS | CAF | H17 | 179.9° | 179.7° |
| CAG | CAU | CAL | CAR | 178.2° | 179.8° |
| CAG | CAU | CAR | NAW | 74.6° | 39.0° |
| CAG | CAU | CAL | H16 | 178.9° | 179.7° |
| CAU | CAG | CAE | H18 | 179.7° | 179.7° |
| CAL | CAU | CAR | NAW | 107.2° | 141.2° |
| CAL | CAU | CAG | H19 | 179.0° | 180.0° |
| CAU | CAR | NAW | CAM | 177.3° | 5.9° |
| CAU | CAR | NAW | CAN | 2.2° | 174.2° |
| CAR | CAU | CAL | H16 | 0.7° | 0.0° |
| CAR | CAU | CAG | H19 | 0.8° | 0.3° |
| CAR | NAW | CAM | CAN | 179.6° | 180.0° |
| CAR | NAW | CAM | CAO | 124.1° | 128.8° |
| CAR | NAW | CAN | CAP | 125.6° | 128.8° |
| CAR | NAW | CAN | H10 | 114.2° | 9.1° |
| CAR | NAW | CAN | H11 | 5.4° | 111.5° |
| CAR | NAW | CAM | H14 | 4.2° | 111.5° |
| CAR | NAW | CAM | H15 | 115.9° | 9.0° |
| NAW | CAM | CAO | H14 | 119.9° | 119.7° |
| NAW | CAM | CAO | H15 | 119.9° | 119.9° |
| NAW | CAM | CAO | NAX | 49.0° | 53.8° |
| CAM | NAW | CAN | CAP | 54.0° | 51.2° |
| CAM | NAW | CAN | H10 | 66.2° | 170.9° |
| CAM | NAW | CAN | H11 | 174.1° | 68.6° |
| NAW | CAM | CAO | H12 | 71.1° | 173.8° |
| NAW | CAM | CAO | H13 | 169.2° | 66.2° |
| NAW | CAM | H14 | H15 | 120.1° | 120.6° |
| CAN | NAW | CAM | CAO | 55.4° | 51.2° |
| NAW | CAN | CAP | H10 | 120.2° | 119.7° |
| NAW | CAN | CAP | H11 | 120.2° | 119.9° |
| NAW | CAN | CAP | NAX | 45.5° | 53.8° |
| NAW | CAN | CAP | H8 | 165.7° | 66.1° |
| NAW | CAN | CAP | H9 | 74.7° | 173.8° |
| NAW | CAN | H10 | H11 | 119.4° | 120.6° |
| CAN | NAW | CAM | H14 | 175.4° | 68.5° |
| CAN | NAW | CAM | H15 | 64.5° | 171.0° |
| CAM | CAO | NAX | H12 | 120.2° | 120.0° |
| CAM | CAO | NAX | H13 | 120.2° | 120.0° |
| CAM | CAO | NAX | CAP | 49.2° | 63.1° |
| CAM | CAO | NAX | CAV | 130.2° | 172.8° |
| CAM | CAO | H12 | H13 | 119.5° | 120.1° |
| CAO | CAM | H14 | H15 | 120.2° | 120.4° |
| CAO | NAX | CAP | CAN | 47.2° | 63.1° |
| CAO | NAX | CAP | CAV | 179.4° | 124.2° |
| CAO | NAX | CAV | CAJ | 9.1° | 55.7° |
| CAO | NAX | CAV | CAK | 170.5° | 124.6° |
| CAO | NAX | CAP | H8 | 167.4° | 56.9° |
| CAO | NAX | CAP | H9 | 73.0° | 176.9° |
| NAX | CAO | H12 | H13 | 119.5° | 120.0° |
| NAX | CAO | CAM | H14 | 169.0° | 65.9° |
| NAX | CAO | CAM | H15 | 70.9° | 173.7° |
| CAN | CAP | NAX | H8 | 120.2° | 119.9° |
| CAN | CAP | NAX | H9 | 120.2° | 120.0° |
| CAN | CAP | NAX | CAV | 132.2° | 172.7° |
| CAN | CAP | H8 | H9 | 119.3° | 120.1° |
| CAP | CAN | H10 | H11 | 119.4° | 120.4° |
| CAP | NAX | CAV | CAJ | 170.2° | 180.0° |
| CAP | NAX | CAV | CAK | 10.1° | 0.2° |
| NAX | CAP | H8 | H9 | 119.3° | 120.1° |
| NAX | CAP | CAN | H10 | 74.7° | 173.5° |
| NAX | CAP | CAN | H11 | 165.7° | 66.1° |
| CAP | NAX | CAO | H12 | 70.9° | 176.9° |
| CAP | NAX | CAO | H13 | 169.4° | 56.9° |
| NAX | CAV | CAJ | CAK | 179.7° | 179.8° |
| NAX | CAV | CAJ | CAH | 179.9° | 180.0° |
| NAX | CAV | CAK | CAI | 179.8° | 179.9° |
| NAX | CAV | CAK | H5 | 0.2° | 0.0° |
| NAX | CAV | CAJ | H7 | 0.1° | 0.0° |
| CAV | NAX | CAP | H8 | 12.0° | 67.3° |
| CAV | NAX | CAP | H9 | 107.5° | 52.8° |
| CAV | NAX | CAO | H12 | 109.7° | 52.8° |
| CAV | NAX | CAO | H13 | 10.0° | 67.2° |
| CAV | CAJ | CAH | H7 | 180.0° | 180.0° |
| CAJ | CAV | CAK | CAI | 0.5° | 0.3° |
| CAV | CAJ | CAH | CAT | 0.3° | 0.0° |
| CAJ | CAV | CAK | H5 | 179.5° | 179.8° |
| CAV | CAJ | CAH | H6 | 179.7° | 180.0° |
| CAK | CAV | CAJ | CAH | 0.4° | 0.3° |
| CAV | CAK | CAI | H5 | 180.0° | 179.9° |
| CAV | CAK | CAI | CAT | 0.5° | 0.1° |
| CAV | CAK | CAI | H4 | 179.5° | 180.0° |
| CAK | CAV | CAJ | H7 | 179.6° | 179.7° |
| CAJ | CAH | CAT | H6 | 180.0° | 180.0° |
| CAJ | CAH | CAT | CAI | 0.3° | 0.2° |
| CAJ | CAH | CAT | CAQ | 179.9° | 180.0° |
| CAK | CAI | CAT | CAH | 0.4° | 0.2° |
| CAK | CAI | CAT | H4 | 180.0° | 180.0° |
| CAK | CAI | CAT | CAQ | 180.0° | 179.9° |
| CAH | CAT | CAI | CAQ | 179.6° | 179.7° |
| CAH | CAT | CAQ | OAB | 1.6° | 179.7° |
| CAH | CAT | CAQ | CAA | 178.7° | 0.3° |
| CAH | CAT | CAI | H4 | 179.6° | 179.8° |
| CAT | CAH | CAJ | H7 | 179.7° | 180.0° |
| CAI | CAT | CAQ | OAB | 178.0° | 0.0° |
| CAI | CAT | CAQ | CAA | 1.7° | 180.0° |
| CAT | CAI | CAK | H5 | 179.5° | 180.0° |
| CAI | CAT | CAH | H6 | 179.7° | 179.8° |
| CAT | CAQ | OAB | CAA | 179.7° | 180.0° |
| CAT | CAQ | CAA | H1 | 179.7° | 90.0° |
| CAT | CAQ | CAA | H2 | 59.7° | 30.0° |
| CAT | CAQ | CAA | H3 | 60.2° | 150.0° |
| CAQ | CAT | CAI | H4 | 0.1° | 0.0° |
| CAQ | CAT | CAH | H6 | 0.1° | 0.0° |
| OAB | CAQ | CAA | H1 | 0.0° | 89.9° |
| OAB | CAQ | CAA | H2 | 120.0° | 150.0° |
| OAB | CAQ | CAA | H3 | 120.0° | 30.0° |
| CAQ | CAA | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAA | H1 | H3 | 120.0° | 119.9° |
| CAQ | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAI | CAK | H5 | 0.5° | 0.1° |
| H6 | CAH | CAJ | H7 | 0.4° | 0.0° |
| H8 | CAP | CAN | H10 | 45.5° | 53.6° |
| H8 | CAP | CAN | H11 | 74.1° | 174.0° |
| H9 | CAP | CAN | H10 | 165.1° | 66.5° |
| H9 | CAP | CAN | H11 | 45.5° | 53.9° |
| H12 | CAO | CAM | H14 | 48.8° | 54.1° |
| H12 | CAO | CAM | H15 | 168.9° | 66.3° |
| H13 | CAO | CAM | H14 | 70.9° | 174.2° |
| H13 | CAO | CAM | H15 | 49.3° | 53.8° |
| H17 | CAF | CAE | H18 | 0.3° | 0.3° |
| H18 | CAE | CAG | H19 | 0.3° | 0.3° |
