4XC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| NAB | CAN | sing | 1.40Å | 1.35Å | |
| CAN | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAF | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAK | sing | 1.51Å | 1.43Å | |
| CAO | CAH | sing | 1.51Å | 1.42Å | |
| CAK | NAQ | sing | 1.47Å | 1.48Å | |
| CAH | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | NAQ | sing | 1.47Å | 1.47Å | |
| NAQ | CAI | sing | 1.47Å | 1.49Å | |
| CAI | CAG | sing | 1.53Å | 1.54Å | |
| CAG | CAM | sing | 1.51Å | 1.53Å | |
| OAC | CAM | doub | 1.21Å | 1.23Å | |
| CAM | NAL | sing | 1.35Å | 1.35Å | |
| NAL | CAA | sing | 1.47Å | 1.48Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| NAB | H8 | sing | 0.97Å | 1.00Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| NAL | H17 | sing | 0.97Å | 1.00Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAE | CAN | 119.0° | 119.8° |
| CAE | CAD | CAF | 120.4° | 119.9° |
| CAE | CAD | H6 | 119.8° | 120.1° |
| CAD | CAE | H7 | 120.5° | 120.1° |
| CAE | CAN | NAB | 119.3° | 119.9° |
| CAE | CAN | CAP | 121.7° | 120.2° |
| CAN | CAE | H7 | 120.5° | 120.1° |
| CAD | CAF | CAO | 120.6° | 120.5° |
| CAD | CAF | H5 | 119.7° | 119.7° |
| CAF | CAD | H6 | 119.8° | 120.0° |
| NAB | CAN | CAP | 119.0° | 119.9° |
| CAN | NAB | H8 | 109.5° | 119.9° |
| CAN | NAB | H9 | 109.4° | 120.0° |
| CAN | CAP | CAO | 118.3° | 119.7° |
| CAN | CAP | CAK | 120.6° | 118.4° |
| CAF | CAO | CAP | 119.9° | 119.9° |
| CAF | CAO | CAH | 118.4° | 118.5° |
| CAO | CAF | H5 | 119.7° | 119.8° |
| CAO | CAP | CAK | 121.1° | 121.9° |
| CAP | CAO | CAH | 121.6° | 121.7° |
| CAP | CAK | NAQ | 116.8° | 110.5° |
| CAP | CAK | H10 | 107.6° | 109.2° |
| CAP | CAK | H11 | 107.6° | 109.3° |
| CAO | CAH | CAJ | 113.0° | 109.9° |
| CAO | CAH | H3 | 108.6° | 109.4° |
| CAO | CAH | H4 | 108.6° | 109.3° |
| CAK | NAQ | CAJ | 112.2° | 110.2° |
| CAK | NAQ | CAI | 111.9° | 110.9° |
| NAQ | CAK | H10 | 107.6° | 109.3° |
| NAQ | CAK | H11 | 107.6° | 109.3° |
| CAH | CAJ | NAQ | 111.2° | 108.5° |
| CAH | CAJ | H1 | 109.0° | 109.6° |
| CAH | CAJ | H2 | 109.0° | 109.7° |
| CAJ | CAH | H3 | 108.6° | 109.4° |
| CAJ | CAH | H4 | 108.6° | 109.4° |
| CAJ | NAQ | CAI | 110.5° | 111.0° |
| NAQ | CAJ | H1 | 109.0° | 109.7° |
| NAQ | CAJ | H2 | 109.0° | 109.6° |
| NAQ | CAI | CAG | 110.2° | 109.4° |
| NAQ | CAI | H13 | 109.3° | 109.5° |
| NAQ | CAI | H14 | 109.3° | 109.5° |
| CAI | CAG | CAM | 113.3° | 109.5° |
| CAG | CAI | H13 | 109.3° | 109.5° |
| CAG | CAI | H14 | 109.3° | 109.5° |
| CAI | CAG | H15 | 108.5° | 109.5° |
| CAI | CAG | H16 | 108.5° | 109.4° |
| CAG | CAM | OAC | 121.0° | 119.9° |
| CAG | CAM | NAL | 114.4° | 120.0° |
| CAM | CAG | H15 | 108.5° | 109.5° |
| CAM | CAG | H16 | 108.5° | 109.4° |
| OAC | CAM | NAL | 124.6° | 120.0° |
| CAM | NAL | CAA | 118.1° | 120.0° |
| CAM | NAL | H17 | 120.9° | 120.0° |
| CAA | NAL | H17 | 121.0° | 120.0° |
| NAL | CAA | H18 | 109.5° | 109.5° |
| NAL | CAA | H19 | 109.5° | 109.5° |
| NAL | CAA | H20 | 109.4° | 109.5° |
| H1 | CAJ | H2 | 109.5° | 109.6° |
| H3 | CAH | H4 | 109.5° | 109.4° |
| H8 | NAB | H9 | 109.5° | 120.0° |
| H10 | CAK | H11 | 109.5° | 109.2° |
| H13 | CAI | H14 | 109.5° | 109.4° |
| H15 | CAG | H16 | 109.4° | 109.5° |
| H18 | CAA | H19 | 109.4° | 109.5° |
| H18 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAE | CAN | H7 | 180.0° | 179.9° |
| CAE | CAD | CAF | H6 | 180.0° | 180.0° |
| CAD | CAE | CAN | NAB | 179.8° | 180.0° |
| CAD | CAE | CAN | CAP | 0.2° | 0.1° |
| CAE | CAD | CAF | CAO | 1.1° | 0.0° |
| CAE | CAD | CAF | H5 | 178.9° | 179.9° |
| CAN | CAE | CAD | CAF | 0.5° | 0.1° |
| CAE | CAN | NAB | CAP | 179.6° | 179.9° |
| CAE | CAN | CAP | CAO | 0.6° | 0.3° |
| CAE | CAN | CAP | CAK | 179.1° | 179.5° |
| CAN | CAE | CAD | H6 | 179.5° | 179.9° |
| CAE | CAN | NAB | H8 | 180.0° | 0.1° |
| CAE | CAN | NAB | H9 | 60.0° | 180.0° |
| CAD | CAF | CAO | H5 | 180.0° | 180.0° |
| CAD | CAF | CAO | CAP | 1.5° | 0.2° |
| CAD | CAF | CAO | CAH | 179.5° | 179.8° |
| CAF | CAD | CAE | H7 | 179.5° | 179.8° |
| NAB | CAN | CAP | CAO | 179.8° | 179.8° |
| NAB | CAN | CAP | CAK | 1.3° | 0.4° |
| NAB | CAN | CAE | H7 | 0.2° | 0.1° |
| CAN | NAB | H8 | H9 | 120.0° | 179.9° |
| CAN | CAP | CAO | CAF | 1.2° | 0.3° |
| CAN | CAP | CAO | CAK | 178.5° | 179.7° |
| CAN | CAP | CAO | CAH | 179.1° | 179.7° |
| CAN | CAP | CAK | NAQ | 172.1° | 162.6° |
| CAP | CAN | CAE | H7 | 179.7° | 180.0° |
| CAP | CAN | NAB | H8 | 0.4° | 180.0° |
| CAP | CAN | NAB | H9 | 119.6° | 0.1° |
| CAN | CAP | CAK | H10 | 51.0° | 42.4° |
| CAN | CAP | CAK | H11 | 66.9° | 77.0° |
| CAF | CAO | CAP | CAH | 177.9° | 180.0° |
| CAF | CAO | CAP | CAK | 179.7° | 179.4° |
| CAF | CAO | CAH | CAJ | 160.3° | 163.0° |
| CAF | CAO | CAH | H3 | 39.7° | 76.9° |
| CAF | CAO | CAH | H4 | 79.2° | 42.9° |
| CAO | CAF | CAD | H6 | 178.9° | 180.0° |
| CAO | CAP | CAK | NAQ | 9.5° | 17.6° |
| CAP | CAO | CAH | CAJ | 21.8° | 17.0° |
| CAP | CAO | CAH | H3 | 142.3° | 103.1° |
| CAP | CAO | CAH | H4 | 98.8° | 137.1° |
| CAP | CAO | CAF | H5 | 178.5° | 179.8° |
| CAO | CAP | CAK | H10 | 130.5° | 137.9° |
| CAO | CAP | CAK | H11 | 111.6° | 102.7° |
| CAK | CAP | CAO | CAH | 2.4° | 0.6° |
| CAP | CAK | NAQ | H10 | 121.1° | 120.2° |
| CAP | CAK | NAQ | H11 | 121.0° | 120.3° |
| CAP | CAK | NAQ | CAJ | 36.7° | 52.5° |
| CAP | CAK | NAQ | CAI | 161.6° | 175.9° |
| CAP | CAK | H10 | H11 | 116.6° | 119.5° |
| CAO | CAH | CAJ | H3 | 120.5° | 120.1° |
| CAO | CAH | CAJ | H4 | 120.5° | 120.0° |
| CAO | CAH | CAJ | NAQ | 48.4° | 50.5° |
| CAO | CAH | CAJ | H1 | 71.9° | 69.3° |
| CAO | CAH | CAJ | H2 | 168.6° | 170.3° |
| CAO | CAH | H3 | H4 | 118.4° | 119.7° |
| CAH | CAO | CAF | H5 | 0.5° | 0.2° |
| CAK | NAQ | CAJ | CAH | 55.7° | 71.3° |
| CAK | NAQ | CAJ | CAI | 125.7° | 123.4° |
| CAK | NAQ | CAI | CAG | 161.6° | 171.0° |
| CAK | NAQ | CAJ | H1 | 64.6° | 48.5° |
| CAK | NAQ | CAJ | H2 | 175.9° | 168.9° |
| NAQ | CAK | H10 | H11 | 116.7° | 119.6° |
| CAK | NAQ | CAI | H13 | 41.5° | 51.0° |
| CAK | NAQ | CAI | H14 | 78.3° | 69.0° |
| CAH | CAJ | NAQ | H1 | 120.2° | 119.7° |
| CAH | CAJ | NAQ | H2 | 120.2° | 119.9° |
| CAH | CAJ | NAQ | CAI | 178.7° | 165.4° |
| CAH | CAJ | H1 | H2 | 119.2° | 120.5° |
| CAJ | CAH | H3 | H4 | 118.4° | 119.8° |
| CAJ | NAQ | CAI | CAG | 72.6° | 66.1° |
| NAQ | CAJ | H1 | H2 | 119.2° | 120.4° |
| NAQ | CAJ | CAH | H3 | 168.9° | 69.7° |
| NAQ | CAJ | CAH | H4 | 72.2° | 170.5° |
| CAJ | NAQ | CAK | H10 | 157.8° | 172.8° |
| CAJ | NAQ | CAK | H11 | 84.3° | 67.8° |
| CAJ | NAQ | CAI | H13 | 167.3° | 173.9° |
| CAJ | NAQ | CAI | H14 | 47.5° | 53.9° |
| NAQ | CAI | CAG | H13 | 120.1° | 120.0° |
| NAQ | CAI | CAG | H14 | 120.1° | 120.0° |
| NAQ | CAI | CAG | CAM | 174.3° | 180.0° |
| CAI | NAQ | CAJ | H1 | 61.1° | 74.9° |
| CAI | NAQ | CAJ | H2 | 58.4° | 45.5° |
| CAI | NAQ | CAK | H10 | 77.4° | 63.8° |
| CAI | NAQ | CAK | H11 | 40.5° | 55.7° |
| NAQ | CAI | H13 | H14 | 119.7° | 120.0° |
| NAQ | CAI | CAG | H15 | 53.7° | 60.0° |
| NAQ | CAI | CAG | H16 | 65.1° | 60.0° |
| CAI | CAG | CAM | H15 | 120.6° | 120.0° |
| CAI | CAG | CAM | H16 | 120.6° | 119.9° |
| CAI | CAG | CAM | OAC | 21.3° | 0.0° |
| CAI | CAG | CAM | NAL | 160.4° | 180.0° |
| CAG | CAI | H13 | H14 | 119.7° | 120.0° |
| CAI | CAG | H15 | H16 | 118.2° | 120.0° |
| CAG | CAM | OAC | NAL | 178.1° | 179.9° |
| CAG | CAM | NAL | CAA | 180.0° | 180.0° |
| CAM | CAG | CAI | H13 | 65.6° | 60.0° |
| CAM | CAG | CAI | H14 | 54.2° | 60.0° |
| CAM | CAG | H15 | H16 | 118.3° | 120.0° |
| CAG | CAM | NAL | H17 | 0.0° | 0.1° |
| OAC | CAM | NAL | CAA | 1.8° | 0.1° |
| OAC | CAM | CAG | H15 | 141.9° | 120.0° |
| OAC | CAM | CAG | H16 | 99.3° | 120.0° |
| OAC | CAM | NAL | H17 | 178.2° | 180.0° |
| CAM | NAL | CAA | H17 | 180.0° | 179.9° |
| NAL | CAM | CAG | H15 | 39.9° | 60.0° |
| NAL | CAM | CAG | H16 | 79.0° | 60.1° |
| CAM | NAL | CAA | H18 | 180.0° | 59.9° |
| CAM | NAL | CAA | H19 | 60.0° | 60.0° |
| CAM | NAL | CAA | H20 | 60.0° | 180.0° |
| NAL | CAA | H18 | H19 | 120.0° | 120.0° |
| NAL | CAA | H18 | H20 | 120.0° | 120.0° |
| NAL | CAA | H19 | H20 | 120.0° | 120.0° |
| H1 | CAJ | CAH | H3 | 48.6° | 170.5° |
| H1 | CAJ | CAH | H4 | 167.6° | 50.7° |
| H2 | CAJ | CAH | H3 | 70.9° | 50.1° |
| H2 | CAJ | CAH | H4 | 48.1° | 69.7° |
| H5 | CAF | CAD | H6 | 1.1° | 0.0° |
| H6 | CAD | CAE | H7 | 0.5° | 0.2° |
| H13 | CAI | CAG | H15 | 173.8° | 180.0° |
| H13 | CAI | CAG | H16 | 55.0° | 60.0° |
| H14 | CAI | CAG | H15 | 66.4° | 60.0° |
| H14 | CAI | CAG | H16 | 174.8° | 180.0° |
| H17 | NAL | CAA | H18 | 0.0° | 120.0° |
| H17 | NAL | CAA | H19 | 120.0° | 120.0° |
| H17 | NAL | CAA | H20 | 120.0° | 0.0° |
| H18 | CAA | H19 | H20 | 120.0° | 120.0° |
