27N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLD | CAS | sing | 1.80Å | 1.79Å | |
| CLE | CAS | sing | 1.80Å | 1.71Å | |
| CAS | CLC | sing | 1.80Å | 1.76Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAH | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| OAB | CAO | sing | 1.36Å | 1.37Å | |
| CAL | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.51Å | 1.44Å | |
| CAQ | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAP | sing | 1.51Å | 1.45Å | |
| CAP | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | OAA | sing | 1.36Å | 1.37Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| OAA | H3 | sing | 0.97Å | 0.95Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| OAB | H9 | sing | 0.97Å | 0.95Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLD | CAS | CLE | 106.8° | 109.5° |
| CLD | CAS | CLC | 111.6° | 109.5° |
| CLD | CAS | CAR | 103.9° | 109.4° |
| CLE | CAS | CLC | 107.3° | 109.5° |
| CLE | CAS | CAR | 115.3° | 109.5° |
| CLC | CAS | CAR | 111.9° | 109.5° |
| CAS | CAR | CAQ | 112.0° | 109.5° |
| CAS | CAR | CAP | 123.2° | 109.5° |
| CAS | CAR | H6 | 100.4° | 109.5° |
| CAL | CAH | CAO | 119.5° | 120.0° |
| CAH | CAL | CAQ | 120.9° | 120.0° |
| CAH | CAL | H7 | 119.5° | 120.0° |
| CAL | CAH | H8 | 120.3° | 120.0° |
| CAH | CAO | OAB | 120.9° | 120.1° |
| CAH | CAO | CAI | 120.0° | 119.9° |
| CAO | CAH | H8 | 120.2° | 120.1° |
| OAB | CAO | CAI | 119.1° | 120.1° |
| CAO | OAB | H9 | 109.5° | 113.9° |
| CAL | CAQ | CAR | 118.6° | 119.9° |
| CAL | CAQ | CAM | 118.3° | 120.1° |
| CAQ | CAL | H7 | 119.6° | 120.0° |
| CAO | CAI | CAM | 120.0° | 120.0° |
| CAO | CAI | H10 | 120.0° | 120.0° |
| CAR | CAQ | CAM | 123.0° | 120.0° |
| CAQ | CAR | CAP | 114.4° | 109.5° |
| CAQ | CAR | H6 | 101.1° | 109.5° |
| CAQ | CAM | CAI | 121.3° | 120.0° |
| CAQ | CAM | H11 | 119.4° | 120.0° |
| CAM | CAI | H10 | 120.0° | 120.0° |
| CAI | CAM | H11 | 119.4° | 120.0° |
| CAR | CAP | CAJ | 119.5° | 119.9° |
| CAR | CAP | CAK | 122.4° | 119.9° |
| CAP | CAR | H6 | 101.0° | 109.4° |
| CAJ | CAP | CAK | 117.7° | 120.1° |
| CAP | CAJ | CAF | 121.3° | 120.1° |
| CAP | CAJ | H1 | 119.3° | 120.0° |
| CAP | CAK | CAG | 121.7° | 120.1° |
| CAP | CAK | H5 | 119.2° | 120.0° |
| CAJ | CAF | CAN | 120.1° | 119.9° |
| CAF | CAJ | H1 | 119.4° | 119.9° |
| CAJ | CAF | H2 | 120.0° | 120.1° |
| CAF | CAN | CAG | 120.0° | 119.9° |
| CAF | CAN | OAA | 119.2° | 120.1° |
| CAN | CAF | H2 | 120.0° | 120.0° |
| CAK | CAG | CAN | 119.1° | 119.9° |
| CAK | CAG | H4 | 120.5° | 120.0° |
| CAG | CAK | H5 | 119.1° | 119.9° |
| CAG | CAN | OAA | 120.8° | 120.0° |
| CAN | CAG | H4 | 120.4° | 120.1° |
| CAN | OAA | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLD | CAS | CLE | CLC | 119.8° | 120.0° |
| CLD | CAS | CLE | CAR | 114.8° | 120.0° |
| CLD | CAS | CLC | CAR | 115.9° | 120.0° |
| CLD | CAS | CAR | CAQ | 62.3° | 53.3° |
| CLD | CAS | CAR | CAP | 154.9° | 173.3° |
| CLD | CAS | CAR | H6 | 44.3° | 66.8° |
| CLE | CAS | CLC | CAR | 127.3° | 120.0° |
| CLE | CAS | CAR | CAQ | 178.8° | 173.2° |
| CLE | CAS | CAR | CAP | 38.4° | 66.8° |
| CLE | CAS | CAR | H6 | 72.2° | 53.2° |
| CLC | CAS | CAR | CAQ | 58.3° | 66.7° |
| CLC | CAS | CAR | CAP | 84.5° | 53.3° |
| CLC | CAS | CAR | H6 | 164.8° | 173.3° |
| CAS | CAR | CAQ | CAL | 137.0° | 170.0° |
| CAS | CAR | CAQ | CAP | 146.2° | 120.0° |
| CAS | CAR | CAQ | H6 | 106.1° | 120.0° |
| CAS | CAR | CAQ | CAM | 41.7° | 9.8° |
| CAS | CAR | CAP | H6 | 110.3° | 120.0° |
| CAS | CAR | CAP | CAJ | 70.7° | 75.3° |
| CAS | CAR | CAP | CAK | 116.3° | 105.1° |
| CAL | CAH | CAO | H8 | 180.0° | 180.0° |
| CAL | CAH | CAO | OAB | 179.7° | 180.0° |
| CAH | CAL | CAQ | H7 | 180.0° | 179.9° |
| CAL | CAH | CAO | CAI | 0.2° | 0.0° |
| CAH | CAL | CAQ | CAR | 179.9° | 180.0° |
| CAH | CAL | CAQ | CAM | 1.1° | 0.3° |
| CAH | CAO | OAB | CAI | 179.5° | 180.0° |
| CAO | CAH | CAL | CAQ | 0.6° | 0.0° |
| CAH | CAO | CAI | CAM | 0.3° | 0.2° |
| CAO | CAH | CAL | H7 | 179.4° | 180.0° |
| CAH | CAO | OAB | H9 | 180.0° | 90.0° |
| CAH | CAO | CAI | H10 | 179.7° | 180.0° |
| OAB | CAO | CAI | CAM | 179.8° | 179.8° |
| OAB | CAO | CAH | H8 | 0.3° | 0.0° |
| OAB | CAO | CAI | H10 | 0.2° | 0.0° |
| CAL | CAQ | CAR | CAM | 178.7° | 179.7° |
| CAL | CAQ | CAM | CAI | 1.2° | 0.5° |
| CAL | CAQ | CAR | CAP | 76.7° | 70.0° |
| CAL | CAQ | CAR | H6 | 30.9° | 50.0° |
| CAQ | CAL | CAH | H8 | 179.4° | 180.0° |
| CAL | CAQ | CAM | H11 | 178.8° | 179.7° |
| CAO | CAI | CAM | CAQ | 0.8° | 0.5° |
| CAO | CAI | CAM | H10 | 180.0° | 179.8° |
| CAI | CAO | CAH | H8 | 179.8° | 180.0° |
| CAI | CAO | OAB | H9 | 0.5° | 90.0° |
| CAO | CAI | CAM | H11 | 179.2° | 179.8° |
| CAR | CAQ | CAM | CAI | 179.9° | 179.8° |
| CAQ | CAR | CAP | H6 | 107.7° | 120.0° |
| CAQ | CAR | CAP | CAJ | 147.3° | 44.7° |
| CAQ | CAR | CAP | CAK | 25.7° | 135.0° |
| CAR | CAQ | CAL | H7 | 0.1° | 0.1° |
| CAR | CAQ | CAM | H11 | 0.1° | 0.0° |
| CAQ | CAM | CAI | H11 | 180.0° | 179.8° |
| CAM | CAQ | CAR | CAP | 104.5° | 110.2° |
| CAM | CAQ | CAR | H6 | 147.8° | 129.8° |
| CAM | CAQ | CAL | H7 | 178.9° | 179.8° |
| CAQ | CAM | CAI | H10 | 179.2° | 179.7° |
| CAR | CAP | CAJ | CAK | 173.4° | 179.6° |
| CAR | CAP | CAJ | CAF | 176.1° | 180.0° |
| CAR | CAP | CAK | CAG | 175.9° | 180.0° |
| CAR | CAP | CAJ | H1 | 3.9° | 0.2° |
| CAR | CAP | CAK | H5 | 4.1° | 0.2° |
| CAP | CAJ | CAF | H1 | 180.0° | 179.8° |
| CAP | CAJ | CAF | CAN | 1.7° | 0.2° |
| CAJ | CAP | CAK | CAG | 2.7° | 0.4° |
| CAP | CAJ | CAF | H2 | 178.3° | 179.8° |
| CAJ | CAP | CAK | H5 | 177.3° | 179.8° |
| CAJ | CAP | CAR | H6 | 39.7° | 164.7° |
| CAK | CAP | CAJ | CAF | 2.7° | 0.4° |
| CAP | CAK | CAG | H5 | 180.0° | 179.8° |
| CAP | CAK | CAG | CAN | 1.7° | 0.2° |
| CAK | CAP | CAJ | H1 | 177.3° | 179.8° |
| CAP | CAK | CAG | H4 | 178.3° | 179.8° |
| CAK | CAP | CAR | H6 | 133.4° | 14.9° |
| CAJ | CAF | CAN | H2 | 180.0° | 180.0° |
| CAJ | CAF | CAN | CAG | 0.6° | 0.0° |
| CAJ | CAF | CAN | OAA | 179.7° | 179.9° |
| CAF | CAN | CAG | CAK | 0.5° | 0.0° |
| CAF | CAN | CAG | OAA | 179.1° | 180.0° |
| CAN | CAF | CAJ | H1 | 178.3° | 180.0° |
| CAF | CAN | OAA | H3 | 180.0° | 90.0° |
| CAF | CAN | CAG | H4 | 179.5° | 180.0° |
| CAK | CAG | CAN | H4 | 180.0° | 180.0° |
| CAK | CAG | CAN | OAA | 179.6° | 180.0° |
| CAG | CAN | CAF | H2 | 179.5° | 180.0° |
| CAG | CAN | OAA | H3 | 0.9° | 90.0° |
| CAN | CAG | CAK | H5 | 178.3° | 180.0° |
| OAA | CAN | CAF | H2 | 0.4° | 0.0° |
| OAA | CAN | CAG | H4 | 0.4° | 0.1° |
| H1 | CAJ | CAF | H2 | 1.7° | 0.0° |
| H4 | CAG | CAK | H5 | 1.7° | 0.0° |
| H7 | CAL | CAH | H8 | 0.6° | 0.0° |
| H10 | CAI | CAM | H11 | 0.8° | 0.0° |
