0T0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAP | sing | 1.46Å | 1.50Å | |
| NAP | CAQ | sing | 1.35Å | 1.35Å | |
| CAQ | OAB | doub | 1.22Å | 1.27Å | |
| CAQ | CAR | sing | 1.48Å | 1.53Å | |
| CAE | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.36Å | Aromatic |
| CAR | CAH | doub | 1.40Å | 1.42Å | Aromatic |
| CAR | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAM | sing | 1.51Å | 1.46Å | |
| CAT | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.54Å | |
| CAN | NAV | sing | 1.47Å | 1.47Å | |
| CAK | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAO | sing | 1.51Å | 1.52Å | |
| NAV | CAO | sing | 1.47Å | 1.46Å | |
| NAV | SAW | sing | 1.65Å | 1.80Å | |
| CAS | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | SAW | sing | 1.76Å | 1.75Å | |
| SAW | OAC | doub | 1.42Å | 1.48Å | |
| SAW | OAD | doub | 1.42Å | 1.49Å | |
| CAN | H1 | sing | 1.09Å | 1.10Å | |
| CAN | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAG | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| NAP | H15 | sing | 0.97Å | 1.00Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | NAP | CAQ | 112.2° | 120.0° |
| CAA | NAP | H15 | 123.9° | 120.0° |
| NAP | CAA | H16 | 109.5° | 109.5° |
| NAP | CAA | H17 | 109.4° | 109.5° |
| NAP | CAA | H18 | 109.5° | 109.5° |
| NAP | CAQ | OAB | 123.1° | 120.0° |
| NAP | CAQ | CAR | 113.6° | 120.0° |
| CAQ | NAP | H15 | 123.9° | 120.0° |
| OAB | CAQ | CAR | 123.2° | 120.0° |
| CAQ | CAR | CAH | 122.5° | 120.2° |
| CAQ | CAR | CAL | 120.8° | 120.2° |
| CAJ | CAE | CAF | 124.0° | 119.8° |
| CAE | CAJ | CAT | 116.4° | 120.6° |
| CAE | CAJ | H5 | 121.8° | 119.7° |
| CAJ | CAE | H6 | 118.0° | 120.1° |
| CAE | CAF | CAK | 119.2° | 119.8° |
| CAF | CAE | H6 | 118.0° | 120.1° |
| CAE | CAF | H7 | 120.4° | 120.1° |
| CAJ | CAT | CAM | 116.1° | 117.7° |
| CAJ | CAT | CAU | 121.0° | 119.5° |
| CAT | CAJ | H5 | 121.8° | 119.7° |
| CAH | CAR | CAL | 116.7° | 119.7° |
| CAR | CAH | CAG | 122.1° | 119.9° |
| CAR | CAH | H14 | 118.9° | 120.1° |
| CAR | CAL | CAS | 119.9° | 119.9° |
| CAR | CAL | H11 | 120.1° | 120.0° |
| CAH | CAG | CAI | 121.4° | 120.1° |
| CAH | CAG | H13 | 119.3° | 119.9° |
| CAG | CAH | H14 | 119.0° | 120.0° |
| CAF | CAK | CAU | 116.5° | 120.5° |
| CAK | CAF | H7 | 120.4° | 120.1° |
| CAF | CAK | H8 | 121.8° | 119.8° |
| CAM | CAT | CAU | 122.9° | 122.8° |
| CAT | CAM | CAN | 112.4° | 110.9° |
| CAT | CAM | H3 | 108.8° | 109.2° |
| CAT | CAM | H4 | 108.7° | 109.2° |
| CAT | CAU | CAK | 122.8° | 119.8° |
| CAT | CAU | CAO | 122.4° | 122.4° |
| CAM | CAN | NAV | 120.3° | 107.9° |
| CAM | CAN | H1 | 106.7° | 109.8° |
| CAM | CAN | H2 | 106.7° | 109.8° |
| CAN | CAM | H3 | 108.8° | 109.2° |
| CAN | CAM | H4 | 108.7° | 109.2° |
| CAN | NAV | CAO | 120.1° | 117.3° |
| CAN | NAV | SAW | 118.9° | 121.3° |
| NAV | CAN | H1 | 106.7° | 109.8° |
| NAV | CAN | H2 | 106.7° | 109.7° |
| CAK | CAU | CAO | 114.8° | 117.8° |
| CAU | CAK | H8 | 121.8° | 119.7° |
| CAL | CAS | CAI | 123.7° | 120.1° |
| CAL | CAS | SAW | 117.1° | 119.9° |
| CAS | CAL | H11 | 120.0° | 120.1° |
| CAG | CAI | CAS | 116.2° | 120.3° |
| CAG | CAI | H12 | 121.9° | 119.8° |
| CAI | CAG | H13 | 119.3° | 119.9° |
| CAU | CAO | NAV | 115.2° | 109.7° |
| CAU | CAO | H9 | 108.0° | 109.4° |
| CAU | CAO | H10 | 108.0° | 109.4° |
| CAO | NAV | SAW | 111.4° | 121.4° |
| NAV | CAO | H9 | 108.0° | 109.4° |
| NAV | CAO | H10 | 108.0° | 109.4° |
| NAV | SAW | CAS | 96.9° | 107.2° |
| NAV | SAW | OAC | 112.9° | 106.4° |
| NAV | SAW | OAD | 115.6° | 106.5° |
| CAI | CAS | SAW | 119.1° | 119.9° |
| CAS | CAI | H12 | 121.9° | 119.9° |
| CAS | SAW | OAC | 110.8° | 106.4° |
| CAS | SAW | OAD | 110.3° | 106.4° |
| OAC | SAW | OAD | 109.7° | 123.1° |
| H1 | CAN | H2 | 109.5° | 109.8° |
| H3 | CAM | H4 | 109.5° | 109.2° |
| H9 | CAO | H10 | 109.5° | 109.4° |
| H16 | CAA | H17 | 109.5° | 109.4° |
| H16 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | NAP | CAQ | H15 | 180.0° | 179.9° |
| CAA | NAP | CAQ | OAB | 4.7° | 0.0° |
| CAA | NAP | CAQ | CAR | 177.6° | 180.0° |
| NAP | CAA | H16 | H17 | 120.0° | 120.0° |
| NAP | CAA | H16 | H18 | 120.0° | 120.1° |
| NAP | CAA | H17 | H18 | 120.0° | 120.0° |
| NAP | CAQ | OAB | CAR | 177.5° | 180.0° |
| NAP | CAQ | CAR | CAH | 27.0° | 0.0° |
| NAP | CAQ | CAR | CAL | 152.2° | 179.3° |
| CAQ | NAP | CAA | H16 | 180.0° | 60.0° |
| CAQ | NAP | CAA | H17 | 60.0° | 60.0° |
| CAQ | NAP | CAA | H18 | 60.0° | 180.0° |
| OAB | CAQ | CAR | CAH | 150.8° | 180.0° |
| OAB | CAQ | CAR | CAL | 30.1° | 0.7° |
| OAB | CAQ | NAP | H15 | 175.3° | 179.9° |
| CAQ | CAR | CAH | CAL | 179.2° | 179.3° |
| CAQ | CAR | CAH | CAG | 179.1° | 180.0° |
| CAQ | CAR | CAL | CAS | 179.4° | 179.7° |
| CAQ | CAR | CAL | H11 | 0.6° | 0.2° |
| CAQ | CAR | CAH | H14 | 0.9° | 0.5° |
| CAR | CAQ | NAP | H15 | 2.4° | 0.1° |
| CAJ | CAE | CAF | H6 | 180.0° | 180.0° |
| CAE | CAJ | CAT | H5 | 180.0° | 180.0° |
| CAJ | CAE | CAF | CAK | 0.8° | 0.2° |
| CAE | CAJ | CAT | CAM | 179.5° | 179.6° |
| CAE | CAJ | CAT | CAU | 2.2° | 0.3° |
| CAJ | CAE | CAF | H7 | 179.2° | 179.8° |
| CAF | CAE | CAJ | CAT | 1.8° | 0.1° |
| CAE | CAF | CAK | H7 | 180.0° | 180.0° |
| CAE | CAF | CAK | CAU | 0.1° | 0.0° |
| CAF | CAE | CAJ | H5 | 178.2° | 180.0° |
| CAE | CAF | CAK | H8 | 179.9° | 179.9° |
| CAJ | CAT | CAM | CAU | 178.3° | 179.9° |
| CAJ | CAT | CAM | CAN | 160.7° | 159.9° |
| CAJ | CAT | CAU | CAK | 1.7° | 0.6° |
| CAJ | CAT | CAU | CAO | 177.6° | 178.6° |
| CAJ | CAT | CAM | H3 | 40.3° | 39.5° |
| CAJ | CAT | CAM | H4 | 78.9° | 79.7° |
| CAT | CAJ | CAE | H6 | 178.2° | 179.9° |
| CAR | CAH | CAG | H14 | 180.0° | 179.5° |
| CAH | CAR | CAL | CAS | 1.4° | 0.4° |
| CAR | CAH | CAG | CAI | 0.3° | 0.5° |
| CAH | CAR | CAL | H11 | 178.6° | 179.5° |
| CAR | CAH | CAG | H13 | 179.7° | 179.5° |
| CAL | CAR | CAH | CAG | 0.1° | 0.7° |
| CAR | CAL | CAS | H11 | 180.0° | 179.9° |
| CAR | CAL | CAS | CAI | 2.8° | 0.0° |
| CAR | CAL | CAS | SAW | 177.7° | 179.7° |
| CAL | CAR | CAH | H14 | 179.9° | 179.8° |
| CAH | CAG | CAI | H13 | 180.0° | 180.0° |
| CAH | CAG | CAI | CAS | 0.9° | 0.0° |
| CAH | CAG | CAI | H12 | 179.1° | 180.0° |
| CAF | CAK | CAU | CAT | 0.6° | 0.4° |
| CAF | CAK | CAU | H8 | 180.0° | 179.9° |
| CAF | CAK | CAU | CAO | 178.8° | 178.8° |
| CAK | CAF | CAE | H6 | 179.2° | 179.7° |
| CAT | CAM | CAN | H3 | 120.5° | 120.4° |
| CAT | CAM | CAN | H4 | 120.4° | 120.3° |
| CAT | CAM | CAN | NAV | 28.5° | 47.5° |
| CAM | CAT | CAU | CAK | 179.9° | 179.3° |
| CAM | CAT | CAU | CAO | 0.6° | 1.5° |
| CAT | CAM | CAN | H1 | 93.0° | 167.1° |
| CAT | CAM | CAN | H2 | 150.1° | 72.1° |
| CAT | CAM | H3 | H4 | 118.7° | 119.3° |
| CAM | CAT | CAJ | H5 | 0.6° | 0.5° |
| CAU | CAT | CAM | CAN | 20.9° | 20.2° |
| CAT | CAU | CAK | CAO | 179.4° | 179.2° |
| CAT | CAU | CAO | NAV | 16.1° | 11.6° |
| CAU | CAT | CAM | H3 | 141.4° | 140.6° |
| CAU | CAT | CAM | H4 | 99.5° | 100.1° |
| CAU | CAT | CAJ | H5 | 177.8° | 179.6° |
| CAT | CAU | CAK | H8 | 179.4° | 179.5° |
| CAT | CAU | CAO | H9 | 104.7° | 108.5° |
| CAT | CAU | CAO | H10 | 137.0° | 131.6° |
| CAM | CAN | NAV | H1 | 121.5° | 119.6° |
| CAM | CAN | NAV | H2 | 121.5° | 119.6° |
| CAM | CAN | NAV | CAO | 14.5° | 64.1° |
| CAM | CAN | NAV | SAW | 128.8° | 115.8° |
| CAM | CAN | H1 | H2 | 115.1° | 120.8° |
| CAN | CAM | H3 | H4 | 118.7° | 119.3° |
| CAN | NAV | CAO | CAU | 7.8° | 44.3° |
| CAN | NAV | CAO | SAW | 145.8° | 179.9° |
| CAN | NAV | SAW | CAS | 113.4° | 90.1° |
| CAN | NAV | SAW | OAC | 2.7° | 156.4° |
| CAN | NAV | SAW | OAD | 130.1° | 23.5° |
| NAV | CAN | H1 | H2 | 115.1° | 120.7° |
| NAV | CAN | CAM | H3 | 149.0° | 167.8° |
| NAV | CAN | CAM | H4 | 91.9° | 72.9° |
| CAN | NAV | CAO | H9 | 113.0° | 75.7° |
| CAN | NAV | CAO | H10 | 128.7° | 164.4° |
| CAK | CAU | CAO | NAV | 164.5° | 169.2° |
| CAU | CAK | CAF | H7 | 179.8° | 180.0° |
| CAK | CAU | CAO | H9 | 74.7° | 70.7° |
| CAK | CAU | CAO | H10 | 43.6° | 49.2° |
| CAL | CAS | CAI | CAG | 2.5° | 0.3° |
| CAL | CAS | SAW | NAV | 89.6° | 89.7° |
| CAL | CAS | CAI | SAW | 174.8° | 179.6° |
| CAL | CAS | SAW | OAC | 28.1° | 156.7° |
| CAL | CAS | SAW | OAD | 149.8° | 23.9° |
| CAL | CAS | CAI | H12 | 177.5° | 179.7° |
| CAG | CAI | CAS | H12 | 180.0° | 180.0° |
| CAG | CAI | CAS | SAW | 177.3° | 179.9° |
| CAI | CAG | CAH | H14 | 179.7° | 180.0° |
| CAU | CAO | NAV | H9 | 120.8° | 120.1° |
| CAU | CAO | NAV | H10 | 120.9° | 120.1° |
| CAU | CAO | NAV | SAW | 153.6° | 135.5° |
| CAO | CAU | CAK | H8 | 1.2° | 1.3° |
| CAU | CAO | H9 | H10 | 117.4° | 119.9° |
| CAO | NAV | SAW | CAS | 100.3° | 90.1° |
| CAO | NAV | SAW | OAC | 143.6° | 23.5° |
| CAO | NAV | SAW | OAD | 16.1° | 156.4° |
| CAO | NAV | CAN | H1 | 107.0° | 176.2° |
| CAO | NAV | CAN | H2 | 136.1° | 55.5° |
| NAV | CAO | H9 | H10 | 117.4° | 119.8° |
| NAV | SAW | CAS | CAI | 85.5° | 89.9° |
| NAV | SAW | CAS | OAC | 117.8° | 113.6° |
| NAV | SAW | CAS | OAD | 120.6° | 113.6° |
| NAV | SAW | OAC | OAD | 130.5° | 123.0° |
| SAW | NAV | CAN | H1 | 109.7° | 3.9° |
| SAW | NAV | CAN | H2 | 7.2° | 124.7° |
| SAW | NAV | CAO | H9 | 32.8° | 104.4° |
| SAW | NAV | CAO | H10 | 85.5° | 15.5° |
| CAI | CAS | SAW | OAC | 156.7° | 23.6° |
| CAI | CAS | SAW | OAD | 35.1° | 156.5° |
| CAI | CAS | CAL | H11 | 177.2° | 180.0° |
| CAS | CAI | CAG | H13 | 179.1° | 180.0° |
| CAS | SAW | OAC | OAD | 122.0° | 122.9° |
| SAW | CAS | CAL | H11 | 2.3° | 0.4° |
| SAW | CAS | CAI | H12 | 2.7° | 0.1° |
| H1 | CAN | CAM | H3 | 27.5° | 72.5° |
| H1 | CAN | CAM | H4 | 146.6° | 46.8° |
| H2 | CAN | CAM | H3 | 89.5° | 48.2° |
| H2 | CAN | CAM | H4 | 29.7° | 167.5° |
| H5 | CAJ | CAE | H6 | 1.8° | 0.1° |
| H6 | CAE | CAF | H7 | 0.8° | 0.3° |
| H7 | CAF | CAK | H8 | 0.1° | 0.1° |
| H12 | CAI | CAG | H13 | 0.9° | 0.0° |
| H13 | CAG | CAH | H14 | 0.3° | 0.0° |
| H15 | NAP | CAA | H16 | 0.0° | 120.0° |
| H15 | NAP | CAA | H17 | 120.0° | 120.1° |
| H15 | NAP | CAA | H18 | 120.0° | 0.1° |
| H16 | CAA | H17 | H18 | 120.0° | 119.9° |
