2L1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAN | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAO | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAO | sing | 1.38Å | 1.42Å | Aromatic |
| CAN | CAG | sing | 1.51Å | 1.43Å | |
| CAO | CAI | sing | 1.51Å | 1.43Å | |
| CAG | CAH | sing | 1.53Å | 1.56Å | |
| CAI | NAQ | sing | 1.47Å | 1.49Å | |
| CAH | NAQ | sing | 1.47Å | 1.49Å | |
| NAQ | CAJ | sing | 1.47Å | 1.48Å | |
| CAJ | CAP | sing | 1.51Å | 1.55Å | |
| CAA | CAM | sing | 1.51Å | 1.53Å | |
| CAP | CAM | doub | 1.35Å | 1.34Å | Aromatic |
| CAP | NAL | sing | 1.37Å | 1.33Å | Aromatic |
| CAM | NAK | sing | 1.34Å | 1.33Å | Aromatic |
| NAL | CAF | sing | 1.35Å | 1.34Å | Aromatic |
| NAK | CAF | doub | 1.31Å | 1.35Å | Aromatic |
| CAH | H1 | sing | 1.09Å | 1.10Å | |
| CAH | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| NAL | H14 | sing | 0.97Å | 1.00Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAB | CAD | 120.1° | 119.9° |
| CAB | CAC | CAE | 120.1° | 119.9° |
| CAC | CAB | H6 | 119.9° | 120.1° |
| CAB | CAC | H7 | 119.9° | 120.1° |
| CAB | CAD | CAN | 120.7° | 120.3° |
| CAB | CAD | H5 | 119.7° | 119.9° |
| CAD | CAB | H6 | 120.0° | 120.1° |
| CAC | CAE | CAO | 120.6° | 120.4° |
| CAE | CAC | H7 | 119.9° | 120.1° |
| CAC | CAE | H8 | 119.7° | 119.8° |
| CAD | CAN | CAO | 119.3° | 119.9° |
| CAD | CAN | CAG | 117.7° | 118.5° |
| CAN | CAD | H5 | 119.7° | 119.8° |
| CAE | CAO | CAN | 119.3° | 119.7° |
| CAE | CAO | CAI | 118.2° | 118.4° |
| CAO | CAE | H8 | 119.7° | 119.8° |
| CAO | CAN | CAG | 123.0° | 121.7° |
| CAN | CAO | CAI | 122.5° | 121.8° |
| CAN | CAG | CAH | 110.9° | 110.0° |
| CAN | CAG | H3 | 109.1° | 109.4° |
| CAN | CAG | H4 | 109.1° | 109.4° |
| CAO | CAI | NAQ | 111.8° | 110.5° |
| CAO | CAI | H9 | 108.9° | 109.3° |
| CAO | CAI | H10 | 108.9° | 109.3° |
| CAG | CAH | NAQ | 111.0° | 108.5° |
| CAG | CAH | H1 | 109.1° | 109.6° |
| CAG | CAH | H2 | 109.1° | 109.8° |
| CAH | CAG | H3 | 109.1° | 109.3° |
| CAH | CAG | H4 | 109.1° | 109.4° |
| CAI | NAQ | CAH | 110.4° | 110.3° |
| CAI | NAQ | CAJ | 111.4° | 111.0° |
| NAQ | CAI | H9 | 108.9° | 109.3° |
| NAQ | CAI | H10 | 108.9° | 109.3° |
| CAH | NAQ | CAJ | 110.4° | 111.0° |
| NAQ | CAH | H1 | 109.1° | 109.6° |
| NAQ | CAH | H2 | 109.1° | 109.7° |
| NAQ | CAJ | CAP | 111.3° | 109.5° |
| NAQ | CAJ | H12 | 109.0° | 109.5° |
| NAQ | CAJ | H13 | 109.0° | 109.5° |
| CAJ | CAP | CAM | 126.3° | 126.6° |
| CAJ | CAP | NAL | 125.5° | 126.5° |
| CAP | CAJ | H12 | 109.0° | 109.4° |
| CAP | CAJ | H13 | 109.0° | 109.5° |
| CAA | CAM | CAP | 126.1° | 126.0° |
| CAA | CAM | NAK | 124.7° | 126.0° |
| CAM | CAA | H17 | 109.5° | 109.5° |
| CAM | CAA | H18 | 109.5° | 109.5° |
| CAM | CAA | H19 | 109.5° | 109.5° |
| CAM | CAP | NAL | 108.1° | 106.9° |
| CAP | CAM | NAK | 109.2° | 108.0° |
| CAP | NAL | CAF | 107.4° | 107.2° |
| CAP | NAL | H14 | 126.3° | 126.4° |
| CAM | NAK | CAF | 106.6° | 109.3° |
| NAL | CAF | NAK | 108.8° | 108.7° |
| CAF | NAL | H14 | 126.3° | 126.4° |
| NAL | CAF | H15 | 125.6° | 125.7° |
| NAK | CAF | H15 | 125.6° | 125.6° |
| H1 | CAH | H2 | 109.4° | 109.7° |
| H3 | CAG | H4 | 109.4° | 109.4° |
| H9 | CAI | H10 | 109.5° | 109.1° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.4° | 109.5° |
| H17 | CAA | H19 | 109.4° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAB | CAD | H6 | 180.0° | 179.9° |
| CAB | CAC | CAE | H7 | 180.0° | 180.0° |
| CAC | CAB | CAD | CAN | 0.5° | 0.0° |
| CAB | CAC | CAE | CAO | 0.8° | 0.0° |
| CAC | CAB | CAD | H5 | 179.5° | 179.9° |
| CAB | CAC | CAE | H8 | 179.2° | 180.0° |
| CAD | CAB | CAC | CAE | 0.1° | 0.1° |
| CAB | CAD | CAN | H5 | 180.0° | 179.9° |
| CAB | CAD | CAN | CAO | 0.0° | 0.3° |
| CAB | CAD | CAN | CAG | 179.2° | 179.7° |
| CAD | CAB | CAC | H7 | 179.9° | 179.9° |
| CAC | CAE | CAO | H8 | 180.0° | 180.0° |
| CAC | CAE | CAO | CAN | 1.2° | 0.2° |
| CAC | CAE | CAO | CAI | 180.0° | 179.6° |
| CAE | CAC | CAB | H6 | 179.9° | 180.0° |
| CAD | CAN | CAO | CAE | 0.8° | 0.4° |
| CAD | CAN | CAO | CAG | 179.2° | 180.0° |
| CAD | CAN | CAO | CAI | 179.5° | 179.4° |
| CAD | CAN | CAG | CAH | 167.6° | 163.0° |
| CAD | CAN | CAG | H3 | 47.4° | 76.9° |
| CAD | CAN | CAG | H4 | 72.1° | 42.9° |
| CAN | CAD | CAB | H6 | 179.5° | 179.9° |
| CAE | CAO | CAN | CAI | 178.7° | 179.8° |
| CAE | CAO | CAN | CAG | 180.0° | 179.7° |
| CAE | CAO | CAI | NAQ | 161.7° | 162.6° |
| CAO | CAE | CAC | H7 | 179.2° | 179.9° |
| CAE | CAO | CAI | H9 | 41.3° | 42.3° |
| CAE | CAO | CAI | H10 | 78.0° | 77.1° |
| CAO | CAN | CAG | CAH | 13.2° | 16.9° |
| CAN | CAO | CAI | NAQ | 19.6° | 17.6° |
| CAO | CAN | CAG | H3 | 133.4° | 103.1° |
| CAO | CAN | CAG | H4 | 107.1° | 137.1° |
| CAO | CAN | CAD | H5 | 179.9° | 179.8° |
| CAN | CAO | CAE | H8 | 178.8° | 179.7° |
| CAN | CAO | CAI | H9 | 140.0° | 137.9° |
| CAN | CAO | CAI | H10 | 100.7° | 102.7° |
| CAG | CAN | CAO | CAI | 1.3° | 0.5° |
| CAN | CAG | CAH | H3 | 120.2° | 120.1° |
| CAN | CAG | CAH | H4 | 120.2° | 120.1° |
| CAN | CAG | CAH | NAQ | 43.8° | 50.3° |
| CAN | CAG | CAH | H1 | 76.5° | 69.3° |
| CAN | CAG | CAH | H2 | 164.0° | 170.2° |
| CAN | CAG | H3 | H4 | 119.3° | 119.8° |
| CAG | CAN | CAD | H5 | 0.8° | 0.2° |
| CAO | CAI | NAQ | H9 | 120.3° | 120.3° |
| CAO | CAI | NAQ | H10 | 120.4° | 120.3° |
| CAO | CAI | NAQ | CAH | 50.4° | 52.5° |
| CAO | CAI | NAQ | CAJ | 173.4° | 175.9° |
| CAI | CAO | CAE | H8 | 0.0° | 0.4° |
| CAO | CAI | H9 | H10 | 119.0° | 119.5° |
| CAG | CAH | NAQ | CAI | 64.0° | 71.2° |
| CAG | CAH | NAQ | H1 | 120.3° | 119.6° |
| CAG | CAH | NAQ | H2 | 120.2° | 119.9° |
| CAG | CAH | NAQ | CAJ | 172.4° | 165.3° |
| CAG | CAH | H1 | H2 | 119.3° | 120.6° |
| CAH | CAG | H3 | H4 | 119.4° | 119.8° |
| CAI | NAQ | CAH | CAJ | 123.6° | 123.4° |
| CAI | NAQ | CAJ | CAP | 174.6° | 72.6° |
| CAI | NAQ | CAH | H1 | 56.2° | 48.4° |
| CAI | NAQ | CAH | H2 | 175.7° | 168.8° |
| NAQ | CAI | H9 | H10 | 118.9° | 119.5° |
| CAI | NAQ | CAJ | H12 | 54.4° | 47.3° |
| CAI | NAQ | CAJ | H13 | 65.1° | 167.4° |
| CAH | NAQ | CAJ | CAP | 62.3° | 164.3° |
| NAQ | CAH | H1 | H2 | 119.3° | 120.5° |
| NAQ | CAH | CAG | H3 | 164.0° | 69.8° |
| NAQ | CAH | CAG | H4 | 76.4° | 170.5° |
| CAH | NAQ | CAI | H9 | 170.8° | 172.9° |
| CAH | NAQ | CAI | H10 | 70.0° | 67.8° |
| CAH | NAQ | CAJ | H12 | 177.4° | 75.7° |
| CAH | NAQ | CAJ | H13 | 57.9° | 44.3° |
| NAQ | CAJ | CAP | H12 | 120.3° | 120.0° |
| NAQ | CAJ | CAP | H13 | 120.3° | 120.0° |
| NAQ | CAJ | CAP | CAM | 115.9° | 75.9° |
| NAQ | CAJ | CAP | NAL | 62.9° | 104.4° |
| CAJ | NAQ | CAH | H1 | 67.4° | 75.0° |
| CAJ | NAQ | CAH | H2 | 52.1° | 45.4° |
| CAJ | NAQ | CAI | H9 | 66.2° | 63.7° |
| CAJ | NAQ | CAI | H10 | 53.1° | 55.6° |
| NAQ | CAJ | H12 | H13 | 119.2° | 120.1° |
| CAJ | CAP | CAM | CAA | 0.7° | 0.0° |
| CAJ | CAP | CAM | NAL | 179.0° | 179.8° |
| CAJ | CAP | CAM | NAK | 179.5° | 179.9° |
| CAJ | CAP | NAL | CAF | 179.2° | 180.0° |
| CAP | CAJ | H12 | H13 | 119.2° | 120.0° |
| CAJ | CAP | NAL | H14 | 0.8° | 0.0° |
| CAA | CAM | CAP | NAK | 179.8° | 179.9° |
| CAA | CAM | CAP | NAL | 179.7° | 179.8° |
| CAA | CAM | NAK | CAF | 179.6° | 179.7° |
| CAM | CAA | H17 | H18 | 120.0° | 120.0° |
| CAM | CAA | H17 | H19 | 120.0° | 120.0° |
| CAM | CAA | H18 | H19 | 120.0° | 120.0° |
| CAM | CAP | NAL | CAF | 0.2° | 0.2° |
| CAP | CAM | NAK | CAF | 0.6° | 0.4° |
| CAM | CAP | CAJ | H12 | 123.8° | 164.1° |
| CAM | CAP | CAJ | H13 | 4.3° | 44.1° |
| CAM | CAP | NAL | H14 | 179.8° | 179.8° |
| CAP | CAM | CAA | H17 | 179.8° | 94.9° |
| CAP | CAM | CAA | H18 | 59.8° | 145.1° |
| CAP | CAM | CAA | H19 | 60.2° | 25.1° |
| NAL | CAP | CAM | NAK | 0.5° | 0.4° |
| CAP | NAL | CAF | H14 | 180.0° | 180.0° |
| CAP | NAL | CAF | NAK | 0.2° | 0.0° |
| NAL | CAP | CAJ | H12 | 57.4° | 15.6° |
| NAL | CAP | CAJ | H13 | 176.8° | 135.6° |
| CAP | NAL | CAF | H15 | 179.8° | 180.0° |
| CAM | NAK | CAF | NAL | 0.5° | 0.2° |
| CAM | NAK | CAF | H15 | 179.5° | 179.8° |
| NAK | CAM | CAA | H17 | 0.0° | 85.0° |
| NAK | CAM | CAA | H18 | 120.0° | 35.0° |
| NAK | CAM | CAA | H19 | 120.0° | 155.0° |
| NAL | CAF | NAK | H15 | 180.0° | 180.0° |
| NAK | CAF | NAL | H14 | 179.8° | 180.0° |
| H1 | CAH | CAG | H3 | 43.8° | 170.6° |
| H1 | CAH | CAG | H4 | 163.3° | 50.8° |
| H2 | CAH | CAG | H3 | 75.7° | 50.1° |
| H2 | CAH | CAG | H4 | 43.8° | 69.7° |
| H5 | CAD | CAB | H6 | 0.5° | 0.0° |
| H6 | CAB | CAC | H7 | 0.1° | 0.1° |
| H7 | CAC | CAE | H8 | 0.8° | 0.0° |
| H14 | NAL | CAF | H15 | 0.2° | 0.0° |
| H17 | CAA | H18 | H19 | 119.9° | 120.0° |
