CQD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAL | sing | 1.53Å | 1.53Å | |
| CAI | OAO | sing | 1.43Å | 1.47Å | |
| CAE | NAM | doub | 1.32Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| NAM | CAS | sing | 1.32Å | 1.34Å | Aromatic |
| CAD | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | NAV | sing | 1.47Å | 1.47Å | |
| OAO | CAH | sing | 1.43Å | 1.46Å | |
| CAS | CD2 | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | C | sing | 1.48Å | 1.40Å | |
| CAF | CD2 | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | N | sing | 1.46Å | 1.48Å | |
| CAG | CAJ | sing | 1.53Å | 1.54Å | |
| CD2 | CG | sing | 1.48Å | 1.40Å | |
| C | CA | sing | 1.48Å | 1.42Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| NAV | CAJ | sing | 1.47Å | 1.48Å | |
| NAV | CAK | sing | 1.47Å | 1.48Å | |
| CA | N | sing | 1.38Å | 1.48Å | |
| CA | CB | doub | 1.35Å | 1.55Å | |
| CAH | CAK | sing | 1.53Å | 1.54Å | |
| CG | OD1 | doub | 1.22Å | 1.23Å | |
| CG | CB | sing | 1.46Å | 1.42Å | |
| CB | CL | sing | 1.74Å | 1.83Å | |
| CAE | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.09Å | 1.10Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAL | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAI | OAO | 111.9° | 109.3° |
| CAI | CAL | NAV | 107.2° | 109.2° |
| CAL | CAI | H17 | 108.8° | 109.5° |
| CAL | CAI | H18 | 108.9° | 109.5° |
| CAI | CAL | H19 | 110.0° | 109.5° |
| CAI | CAL | H20 | 110.0° | 109.5° |
| CAI | OAO | CAH | 117.2° | 113.7° |
| OAO | CAI | H17 | 108.9° | 109.5° |
| OAO | CAI | H18 | 108.9° | 109.5° |
| NAM | CAE | CAD | 121.3° | 121.3° |
| CAE | NAM | CAS | 119.8° | 121.6° |
| NAM | CAE | H1 | 119.3° | 119.3° |
| CAE | CAD | CAF | 118.6° | 119.4° |
| CAD | CAE | H1 | 119.4° | 119.4° |
| CAE | CAD | H2 | 120.7° | 120.2° |
| NAM | CAS | CD2 | 120.3° | 120.3° |
| NAM | CAS | C | 122.8° | 120.6° |
| CAD | CAF | CD2 | 119.6° | 118.1° |
| CAF | CAD | H2 | 120.7° | 120.3° |
| CAD | CAF | H3 | 120.2° | 121.0° |
| CAL | NAV | CAJ | 116.2° | 111.0° |
| CAL | NAV | CAK | 110.9° | 110.8° |
| NAV | CAL | H19 | 110.1° | 109.5° |
| NAV | CAL | H20 | 110.0° | 109.5° |
| OAO | CAH | CAK | 110.3° | 109.3° |
| OAO | CAH | H15 | 109.2° | 109.4° |
| OAO | CAH | H16 | 109.2° | 109.5° |
| CD2 | CAS | C | 117.0° | 119.1° |
| CAS | CD2 | CAF | 120.4° | 119.3° |
| CAS | CD2 | CG | 119.2° | 119.8° |
| CAS | C | CA | 115.2° | 119.6° |
| CAS | C | O | 120.0° | 120.2° |
| CAF | CD2 | CG | 120.3° | 120.9° |
| CD2 | CAF | H3 | 120.2° | 120.9° |
| N | CAG | CAJ | 108.1° | 109.4° |
| CAG | N | CA | 117.4° | 120.0° |
| CAG | N | H6 | 107.5° | 120.1° |
| N | CAG | H8 | 109.8° | 109.5° |
| N | CAG | H9 | 109.8° | 109.5° |
| CAG | CAJ | NAV | 113.7° | 109.5° |
| CAJ | CAG | H8 | 109.8° | 109.4° |
| CAJ | CAG | H9 | 109.8° | 109.5° |
| CAG | CAJ | H10 | 108.4° | 109.5° |
| CAG | CAJ | H11 | 108.4° | 109.5° |
| CD2 | CG | OD1 | 117.5° | 120.0° |
| CD2 | CG | CB | 122.5° | 120.0° |
| CA | C | O | 124.4° | 120.2° |
| C | CA | N | 120.3° | 119.7° |
| C | CA | CB | 106.7° | 120.7° |
| CAJ | NAV | CAK | 114.6° | 111.0° |
| NAV | CAJ | H10 | 108.4° | 109.4° |
| NAV | CAJ | H11 | 108.4° | 109.5° |
| NAV | CAK | CAH | 110.3° | 109.2° |
| NAV | CAK | H13 | 109.3° | 109.5° |
| NAV | CAK | H14 | 109.3° | 109.6° |
| N | CA | CB | 110.7° | 119.7° |
| CA | N | H6 | 107.4° | 120.0° |
| CA | CB | CG | 108.6° | 120.8° |
| CA | CB | CL | 113.2° | 119.6° |
| CAH | CAK | H13 | 109.3° | 109.5° |
| CAH | CAK | H14 | 109.3° | 109.5° |
| CAK | CAH | H15 | 109.3° | 109.5° |
| CAK | CAH | H16 | 109.2° | 109.5° |
| OD1 | CG | CB | 119.8° | 120.0° |
| CG | CB | CL | 114.3° | 119.6° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H10 | CAJ | H11 | 109.5° | 109.5° |
| H13 | CAK | H14 | 109.5° | 109.5° |
| H15 | CAH | H16 | 109.5° | 109.5° |
| H17 | CAI | H18 | 109.5° | 109.6° |
| H19 | CAL | H20 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAI | OAO | H17 | 120.3° | 119.9° |
| CAL | CAI | OAO | H18 | 120.4° | 119.9° |
| CAI | CAL | NAV | H19 | 119.6° | 119.9° |
| CAI | CAL | NAV | H20 | 119.6° | 119.9° |
| CAL | CAI | OAO | CAH | 39.6° | 58.7° |
| CAI | CAL | NAV | CAJ | 158.4° | 177.6° |
| CAI | CAL | NAV | CAK | 68.4° | 58.6° |
| CAL | CAI | H17 | H18 | 118.9° | 120.1° |
| CAI | CAL | H19 | H20 | 121.0° | 120.1° |
| OAO | CAI | CAL | NAV | 19.9° | 56.9° |
| CAI | OAO | CAH | CAK | 52.4° | 58.7° |
| CAI | OAO | CAH | H15 | 172.5° | 178.6° |
| CAI | OAO | CAH | H16 | 67.7° | 61.3° |
| OAO | CAI | H17 | H18 | 118.9° | 120.1° |
| OAO | CAI | CAL | H19 | 99.8° | 176.8° |
| OAO | CAI | CAL | H20 | 139.5° | 63.0° |
| NAM | CAE | CAD | H1 | 180.0° | 180.0° |
| NAM | CAE | CAD | CAF | 0.4° | 0.0° |
| CAE | NAM | CAS | CD2 | 0.4° | 0.1° |
| CAE | NAM | CAS | C | 179.8° | 180.0° |
| NAM | CAE | CAD | H2 | 179.6° | 180.0° |
| CAD | CAE | NAM | CAS | 0.2° | 0.1° |
| CAE | CAD | CAF | H2 | 180.0° | 180.0° |
| CAE | CAD | CAF | CD2 | 0.8° | 0.0° |
| CAE | CAD | CAF | H3 | 179.2° | 180.0° |
| NAM | CAS | CD2 | C | 179.4° | 179.9° |
| NAM | CAS | CD2 | CAF | 0.0° | 0.1° |
| NAM | CAS | CD2 | CG | 178.5° | 180.0° |
| NAM | CAS | C | CA | 144.0° | 179.9° |
| NAM | CAS | C | O | 43.5° | 0.2° |
| CAS | NAM | CAE | H1 | 179.8° | 179.9° |
| CAD | CAF | CD2 | CAS | 0.6° | 0.0° |
| CAD | CAF | CD2 | H3 | 180.0° | 179.9° |
| CAD | CAF | CD2 | CG | 179.0° | 180.0° |
| CAF | CAD | CAE | H1 | 179.6° | 180.0° |
| CAL | NAV | CAJ | CAG | 4.8° | 66.3° |
| CAL | NAV | CAJ | CAK | 131.5° | 123.7° |
| CAL | NAV | CAK | CAH | 55.6° | 58.6° |
| CAL | NAV | CAJ | H10 | 115.8° | 53.7° |
| CAL | NAV | CAJ | H11 | 125.5° | 173.7° |
| CAL | NAV | CAK | H13 | 64.5° | 61.3° |
| CAL | NAV | CAK | H14 | 175.7° | 178.6° |
| NAV | CAL | CAI | H17 | 100.5° | 176.8° |
| NAV | CAL | CAI | H18 | 140.2° | 63.1° |
| NAV | CAL | H19 | H20 | 121.0° | 120.2° |
| OAO | CAH | CAK | NAV | 3.9° | 56.8° |
| OAO | CAH | CAK | H15 | 120.1° | 119.9° |
| OAO | CAH | CAK | H16 | 120.1° | 120.0° |
| OAO | CAH | CAK | H13 | 124.0° | 63.1° |
| OAO | CAH | CAK | H14 | 116.2° | 176.9° |
| OAO | CAH | H15 | H16 | 119.6° | 120.1° |
| CAH | OAO | CAI | H17 | 159.9° | 178.6° |
| CAH | OAO | CAI | H18 | 80.8° | 61.3° |
| CAS | CD2 | CAF | CG | 178.4° | 180.0° |
| CD2 | CAS | C | CA | 35.4° | 0.0° |
| CD2 | CAS | C | O | 137.1° | 179.7° |
| CAS | CD2 | CG | OD1 | 177.3° | 180.0° |
| CAS | CD2 | CG | CB | 1.9° | 0.1° |
| CAS | CD2 | CAF | H3 | 179.4° | 179.9° |
| C | CAS | CD2 | CAF | 179.4° | 180.0° |
| C | CAS | CD2 | CG | 1.0° | 0.0° |
| CAS | C | CA | O | 172.2° | 179.7° |
| CAS | C | CA | N | 170.7° | 179.7° |
| CAS | C | CA | CB | 62.2° | 0.1° |
| CAF | CD2 | CG | OD1 | 1.2° | 0.0° |
| CAF | CD2 | CG | CB | 176.5° | 179.9° |
| CD2 | CAF | CAD | H2 | 179.2° | 180.0° |
| N | CAG | CAJ | H8 | 119.8° | 119.9° |
| N | CAG | CAJ | H9 | 119.8° | 120.0° |
| CAG | N | CA | C | 45.9° | 5.1° |
| N | CAG | CAJ | NAV | 140.2° | 180.0° |
| CAG | N | CA | H6 | 121.2° | 179.9° |
| CAG | N | CA | CB | 171.1° | 174.5° |
| N | CAG | H8 | H9 | 120.6° | 120.1° |
| N | CAG | CAJ | H10 | 19.5° | 60.0° |
| N | CAG | CAJ | H11 | 99.2° | 60.0° |
| CAG | CAJ | NAV | H10 | 120.6° | 120.0° |
| CAG | CAJ | NAV | H11 | 120.7° | 120.0° |
| CAG | CAJ | NAV | CAK | 136.4° | 170.0° |
| CAJ | CAG | N | CA | 118.1° | 175.1° |
| CAJ | CAG | N | H6 | 120.7° | 5.0° |
| CAJ | CAG | H8 | H9 | 120.6° | 120.0° |
| CAG | CAJ | H10 | H11 | 118.1° | 120.0° |
| CD2 | CG | CB | CA | 25.4° | 0.1° |
| CD2 | CG | OD1 | CB | 175.5° | 179.9° |
| CD2 | CG | CB | CL | 153.0° | 179.9° |
| CG | CD2 | CAF | H3 | 1.0° | 0.1° |
| C | CA | N | CB | 125.3° | 179.6° |
| C | CA | CB | CG | 54.9° | 0.1° |
| C | CA | CB | CL | 177.0° | 179.9° |
| C | CA | N | H6 | 167.0° | 174.8° |
| O | C | CA | N | 17.1° | 0.0° |
| O | C | CA | CB | 110.0° | 179.6° |
| CAJ | NAV | CAK | CAH | 170.4° | 177.6° |
| NAV | CAJ | CAG | H8 | 100.1° | 60.0° |
| NAV | CAJ | CAG | H9 | 20.3° | 60.0° |
| NAV | CAJ | H10 | H11 | 118.0° | 120.0° |
| CAJ | NAV | CAK | H13 | 69.5° | 62.5° |
| CAJ | NAV | CAK | H14 | 50.3° | 57.6° |
| CAJ | NAV | CAL | H19 | 81.9° | 57.7° |
| CAJ | NAV | CAL | H20 | 38.8° | 62.5° |
| NAV | CAK | CAH | H13 | 120.1° | 119.9° |
| NAV | CAK | CAH | H14 | 120.1° | 120.0° |
| CAK | NAV | CAJ | H10 | 15.7° | 70.0° |
| CAK | NAV | CAJ | H11 | 103.0° | 50.0° |
| NAV | CAK | H13 | H14 | 119.7° | 120.1° |
| NAV | CAK | CAH | H15 | 124.0° | 176.7° |
| NAV | CAK | CAH | H16 | 116.2° | 63.2° |
| CAK | NAV | CAL | H19 | 51.3° | 178.5° |
| CAK | NAV | CAL | H20 | 172.0° | 61.3° |
| N | CA | CB | CG | 172.5° | 179.7° |
| N | CA | CB | CL | 44.4° | 0.3° |
| CA | N | CAG | H8 | 122.1° | 55.2° |
| CA | N | CAG | H9 | 1.7° | 64.9° |
| CA | CB | CG | OD1 | 149.8° | 180.0° |
| CA | CB | CG | CL | 127.5° | 179.9° |
| CB | CA | N | H6 | 67.7° | 5.6° |
| CAH | CAK | H13 | H14 | 119.6° | 120.1° |
| CAK | CAH | H15 | H16 | 119.6° | 120.1° |
| OD1 | CG | CB | CL | 22.2° | 0.1° |
| H1 | CAE | CAD | H2 | 0.4° | 0.0° |
| H2 | CAD | CAF | H3 | 0.8° | 0.1° |
| H6 | N | CAG | H8 | 1.0° | 124.9° |
| H6 | N | CAG | H9 | 119.5° | 115.0° |
| H8 | CAG | CAJ | H10 | 139.3° | 180.0° |
| H8 | CAG | CAJ | H11 | 20.6° | 59.9° |
| H9 | CAG | CAJ | H10 | 100.3° | 60.0° |
| H9 | CAG | CAJ | H11 | 141.0° | 180.0° |
| H13 | CAK | CAH | H15 | 115.9° | 56.8° |
| H13 | CAK | CAH | H16 | 3.9° | 176.9° |
| H14 | CAK | CAH | H15 | 3.9° | 63.2° |
| H14 | CAK | CAH | H16 | 123.6° | 56.9° |
| H17 | CAI | CAL | H19 | 139.8° | 63.3° |
| H17 | CAI | CAL | H20 | 19.1° | 56.9° |
| H18 | CAI | CAL | H19 | 20.6° | 56.8° |
| H18 | CAI | CAL | H20 | 100.1° | 177.0° |
