B6A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | NAQ | sing | 1.47Å | 1.47Å | |
| CAK | CAM | sing | 1.53Å | 1.52Å | |
| NAQ | CAL | sing | 1.47Å | 1.46Å | |
| CAM | CAX | sing | 1.53Å | 1.52Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAX | CAN | sing | 1.53Å | 1.54Å | |
| CAX | CAO | sing | 1.53Å | 1.52Å | |
| NAA | CAU | sing | 1.38Å | 1.33Å | |
| NAP | CAU | doub | 1.31Å | 1.34Å | Aromatic |
| NAP | CAV | sing | 1.35Å | 1.33Å | Aromatic |
| CAU | NAY | sing | 1.36Å | 1.32Å | Aromatic |
| CAV | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| NAY | CAO | sing | 1.46Å | 1.47Å | |
| NAY | CAW | sing | 1.39Å | 1.32Å | Aromatic |
| CAI | CAH | sing | 1.36Å | 1.40Å | Aromatic |
| CAW | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAT | doub | 1.40Å | 1.39Å | Aromatic |
| OAB | CAR | doub | 1.22Å | 1.23Å | |
| CAJ | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAT | CAR | sing | 1.47Å | 1.51Å | |
| CAR | CAS | sing | 1.48Å | 1.52Å | |
| CAF | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| NAQ | H5 | sing | 1.01Å | 1.00Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| NAA | H15 | sing | 0.97Å | 1.00Å | |
| NAA | H16 | sing | 0.97Å | 1.00Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAH | H18 | sing | 1.08Å | 1.08Å | |
| CAF | H19 | sing | 1.08Å | 1.08Å | |
| CAD | H20 | sing | 1.08Å | 1.08Å | |
| CAC | H21 | sing | 1.08Å | 1.08Å | |
| CAE | H22 | sing | 1.08Å | 1.08Å | |
| CAG | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAQ | CAK | CAM | 108.6° | 109.5° |
| CAK | NAQ | CAL | 109.8° | 111.2° |
| NAQ | CAK | H3 | 109.7° | 109.5° |
| NAQ | CAK | H4 | 109.7° | 109.4° |
| CAK | NAQ | H5 | 109.4° | 111.0° |
| CAK | CAM | CAX | 110.0° | 109.3° |
| CAK | CAM | H1 | 109.4° | 109.5° |
| CAK | CAM | H2 | 109.3° | 109.5° |
| CAM | CAK | H3 | 109.7° | 109.5° |
| CAM | CAK | H4 | 109.7° | 109.5° |
| NAQ | CAL | CAN | 108.2° | 109.5° |
| CAL | NAQ | H5 | 109.4° | 111.0° |
| NAQ | CAL | H7 | 109.8° | 109.5° |
| NAQ | CAL | H8 | 109.8° | 109.4° |
| CAM | CAX | CAN | 111.4° | 109.2° |
| CAM | CAX | CAO | 108.8° | 109.5° |
| CAX | CAM | H1 | 109.3° | 109.5° |
| CAX | CAM | H2 | 109.3° | 109.5° |
| CAM | CAX | H11 | 109.5° | 109.5° |
| CAL | CAN | CAX | 111.3° | 109.3° |
| CAN | CAL | H7 | 109.8° | 109.5° |
| CAN | CAL | H8 | 109.8° | 109.5° |
| CAL | CAN | H9 | 109.0° | 109.5° |
| CAL | CAN | H10 | 109.0° | 109.5° |
| CAN | CAX | CAO | 108.3° | 109.5° |
| CAX | CAN | H9 | 109.0° | 109.5° |
| CAX | CAN | H10 | 109.0° | 109.5° |
| CAN | CAX | H11 | 109.3° | 109.6° |
| CAX | CAO | NAY | 113.2° | 109.5° |
| CAO | CAX | H11 | 109.6° | 109.6° |
| CAX | CAO | H12 | 108.5° | 109.5° |
| CAX | CAO | H13 | 108.5° | 109.5° |
| NAA | CAU | NAP | 126.3° | 125.1° |
| NAA | CAU | NAY | 124.0° | 125.1° |
| CAU | NAA | H15 | 109.5° | 120.0° |
| CAU | NAA | H16 | 109.4° | 120.0° |
| CAU | NAP | CAV | 107.3° | 109.9° |
| NAP | CAU | NAY | 109.7° | 109.9° |
| NAP | CAV | CAI | 132.7° | 133.2° |
| NAP | CAV | CAW | 107.5° | 107.1° |
| CAU | NAY | CAO | 124.4° | 126.5° |
| CAU | NAY | CAW | 108.9° | 107.0° |
| CAI | CAV | CAW | 119.9° | 119.7° |
| CAV | CAI | CAH | 120.0° | 120.1° |
| CAV | CAI | H17 | 120.0° | 119.9° |
| CAV | CAW | NAY | 106.6° | 106.1° |
| CAV | CAW | CAJ | 120.3° | 120.1° |
| CAO | NAY | CAW | 126.6° | 126.5° |
| NAY | CAO | H12 | 108.5° | 109.5° |
| NAY | CAO | H13 | 108.5° | 109.4° |
| NAY | CAW | CAJ | 133.1° | 133.9° |
| CAI | CAH | CAT | 119.7° | 120.5° |
| CAH | CAI | H17 | 120.0° | 119.9° |
| CAI | CAH | H18 | 120.2° | 119.8° |
| CAW | CAJ | CAT | 119.9° | 119.6° |
| CAW | CAJ | H14 | 120.1° | 120.2° |
| CAH | CAT | CAJ | 120.3° | 120.0° |
| CAH | CAT | CAR | 121.4° | 120.0° |
| CAT | CAH | H18 | 120.1° | 119.7° |
| OAB | CAR | CAT | 119.4° | 120.0° |
| OAB | CAR | CAS | 120.6° | 120.0° |
| CAJ | CAT | CAR | 118.3° | 120.0° |
| CAT | CAJ | H14 | 120.1° | 120.2° |
| CAT | CAR | CAS | 120.0° | 120.0° |
| CAR | CAS | CAF | 119.9° | 120.2° |
| CAR | CAS | CAG | 119.7° | 120.2° |
| CAS | CAF | CAD | 120.0° | 119.9° |
| CAF | CAS | CAG | 120.4° | 119.7° |
| CAS | CAF | H19 | 120.0° | 120.1° |
| CAF | CAD | CAC | 119.3° | 120.2° |
| CAD | CAF | H19 | 120.0° | 120.1° |
| CAF | CAD | H20 | 120.3° | 120.0° |
| CAS | CAG | CAE | 119.8° | 119.9° |
| CAS | CAG | H23 | 120.1° | 120.1° |
| CAD | CAC | CAE | 120.3° | 120.3° |
| CAC | CAD | H20 | 120.3° | 119.9° |
| CAD | CAC | H21 | 119.9° | 119.8° |
| CAG | CAE | CAC | 120.2° | 120.1° |
| CAG | CAE | H22 | 119.9° | 120.0° |
| CAE | CAG | H23 | 120.1° | 120.0° |
| CAE | CAC | H21 | 119.8° | 119.9° |
| CAC | CAE | H22 | 119.9° | 119.9° |
| H1 | CAM | H2 | 109.4° | 109.5° |
| H3 | CAK | H4 | 109.5° | 109.4° |
| H7 | CAL | H8 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H12 | CAO | H13 | 109.5° | 109.4° |
| H15 | NAA | H16 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAQ | CAK | CAM | H3 | 119.9° | 120.1° |
| NAQ | CAK | CAM | H4 | 119.9° | 120.0° |
| CAK | NAQ | CAL | H5 | 120.1° | 124.1° |
| NAQ | CAK | CAM | CAX | 58.9° | 59.1° |
| CAK | NAQ | CAL | CAN | 66.0° | 61.7° |
| NAQ | CAK | CAM | H1 | 179.0° | 179.1° |
| NAQ | CAK | CAM | H2 | 61.2° | 60.8° |
| NAQ | CAK | H3 | H4 | 120.4° | 119.9° |
| CAK | NAQ | CAL | H7 | 174.2° | 178.3° |
| CAK | NAQ | CAL | H8 | 53.8° | 58.3° |
| CAM | CAK | NAQ | CAL | 67.7° | 61.7° |
| CAK | CAM | CAX | H1 | 120.1° | 120.0° |
| CAK | CAM | CAX | H2 | 120.1° | 119.9° |
| CAK | CAM | CAX | CAN | 50.9° | 57.7° |
| CAK | CAM | CAX | CAO | 170.2° | 177.6° |
| CAK | CAM | H1 | H2 | 119.7° | 120.1° |
| CAM | CAK | H3 | H4 | 120.4° | 120.0° |
| CAM | CAK | NAQ | H5 | 52.3° | 62.4° |
| CAK | CAM | CAX | H11 | 70.1° | 62.3° |
| NAQ | CAL | CAN | H7 | 119.8° | 120.0° |
| NAQ | CAL | CAN | H8 | 119.8° | 120.0° |
| NAQ | CAL | CAN | CAX | 56.6° | 59.2° |
| CAL | NAQ | CAK | H3 | 52.1° | 178.2° |
| CAL | NAQ | CAK | H4 | 172.4° | 58.3° |
| NAQ | CAL | H7 | H8 | 120.6° | 120.0° |
| NAQ | CAL | CAN | H9 | 63.7° | 60.8° |
| NAQ | CAL | CAN | H10 | 176.9° | 179.2° |
| CAM | CAX | CAN | CAL | 50.2° | 57.7° |
| CAM | CAX | CAN | CAO | 119.6° | 119.9° |
| CAM | CAX | CAN | H11 | 121.1° | 119.9° |
| CAM | CAX | CAO | H11 | 119.7° | 120.1° |
| CAM | CAX | CAO | NAY | 71.3° | 175.0° |
| CAX | CAM | H1 | H2 | 119.7° | 120.1° |
| CAX | CAM | CAK | H3 | 60.9° | 179.2° |
| CAX | CAM | CAK | H4 | 178.8° | 60.9° |
| CAM | CAX | CAN | H9 | 70.1° | 62.3° |
| CAM | CAX | CAN | H10 | 170.5° | 177.6° |
| CAM | CAX | CAO | H12 | 49.2° | 55.0° |
| CAM | CAX | CAO | H13 | 168.1° | 65.0° |
| CAL | CAN | CAX | H9 | 120.3° | 120.0° |
| CAL | CAN | CAX | H10 | 120.3° | 119.9° |
| CAL | CAN | CAX | CAO | 169.8° | 177.6° |
| CAN | CAL | NAQ | H5 | 54.1° | 62.4° |
| CAN | CAL | H7 | H8 | 120.6° | 120.0° |
| CAL | CAN | H9 | H10 | 119.2° | 120.0° |
| CAL | CAN | CAX | H11 | 70.9° | 62.2° |
| CAN | CAX | CAO | H11 | 119.1° | 120.2° |
| CAN | CAX | CAO | NAY | 167.5° | 65.3° |
| CAN | CAX | CAM | H1 | 171.0° | 177.6° |
| CAN | CAX | CAM | H2 | 69.3° | 62.3° |
| CAX | CAN | CAL | H7 | 176.4° | 179.2° |
| CAX | CAN | CAL | H8 | 63.2° | 60.8° |
| CAX | CAN | H9 | H10 | 119.1° | 120.1° |
| CAN | CAX | CAO | H12 | 72.0° | 174.6° |
| CAN | CAX | CAO | H13 | 46.9° | 54.6° |
| CAX | CAO | NAY | CAU | 106.6° | 90.3° |
| CAX | CAO | NAY | H12 | 120.5° | 120.1° |
| CAX | CAO | NAY | H13 | 120.6° | 120.0° |
| CAX | CAO | NAY | CAW | 73.9° | 90.0° |
| CAO | CAX | CAM | H1 | 69.7° | 62.5° |
| CAO | CAX | CAM | H2 | 50.1° | 57.6° |
| CAO | CAX | CAN | H9 | 49.5° | 57.6° |
| CAO | CAX | CAN | H10 | 69.9° | 62.5° |
| CAX | CAO | H12 | H13 | 118.3° | 120.0° |
| NAA | CAU | NAP | NAY | 179.6° | 180.0° |
| NAA | CAU | NAP | CAV | 179.6° | 179.8° |
| NAA | CAU | NAY | CAO | 1.0° | 0.1° |
| NAA | CAU | NAY | CAW | 179.4° | 179.7° |
| CAU | NAA | H15 | H16 | 120.0° | 179.9° |
| CAU | NAP | CAV | CAI | 179.3° | 180.0° |
| CAU | NAP | CAV | CAW | 0.1° | 0.0° |
| NAP | CAU | NAY | CAO | 179.4° | 179.9° |
| NAP | CAU | NAY | CAW | 0.1° | 0.3° |
| NAP | CAU | NAA | H15 | 0.0° | 180.0° |
| NAP | CAU | NAA | H16 | 120.0° | 0.0° |
| CAV | NAP | CAU | NAY | 0.0° | 0.1° |
| NAP | CAV | CAI | CAW | 179.3° | 180.0° |
| NAP | CAV | CAW | NAY | 0.2° | 0.2° |
| NAP | CAV | CAI | CAH | 179.8° | 179.9° |
| NAP | CAV | CAW | CAJ | 179.9° | 179.8° |
| NAP | CAV | CAI | H17 | 0.2° | 0.0° |
| CAU | NAY | CAW | CAV | 0.2° | 0.3° |
| CAU | NAY | CAO | CAW | 179.5° | 179.8° |
| CAU | NAY | CAW | CAJ | 180.0° | 179.8° |
| CAU | NAY | CAO | H12 | 13.9° | 149.7° |
| CAU | NAY | CAO | H13 | 132.8° | 29.8° |
| NAY | CAU | NAA | H15 | 179.5° | 0.1° |
| NAY | CAU | NAA | H16 | 59.5° | 180.0° |
| CAI | CAV | CAW | NAY | 179.3° | 179.8° |
| CAV | CAI | CAH | H17 | 180.0° | 179.9° |
| CAI | CAV | CAW | CAJ | 0.6° | 0.1° |
| CAV | CAI | CAH | CAT | 0.3° | 0.3° |
| CAV | CAI | CAH | H18 | 179.7° | 179.9° |
| CAV | CAW | NAY | CAO | 179.3° | 179.9° |
| CAV | CAW | NAY | CAJ | 179.8° | 179.9° |
| CAW | CAV | CAI | CAH | 0.5° | 0.0° |
| CAV | CAW | CAJ | CAT | 0.6° | 0.1° |
| CAV | CAW | CAJ | H14 | 179.4° | 179.9° |
| CAW | CAV | CAI | H17 | 179.5° | 179.9° |
| CAO | NAY | CAW | CAJ | 0.5° | 0.0° |
| NAY | CAO | CAX | H11 | 48.3° | 54.9° |
| NAY | CAO | H12 | H13 | 118.3° | 119.9° |
| NAY | CAW | CAJ | CAT | 179.2° | 180.0° |
| CAW | NAY | CAO | H12 | 165.6° | 30.1° |
| CAW | NAY | CAO | H13 | 46.7° | 150.0° |
| NAY | CAW | CAJ | H14 | 0.8° | 0.0° |
| CAI | CAH | CAT | H18 | 180.0° | 179.7° |
| CAI | CAH | CAT | CAJ | 0.3° | 0.5° |
| CAI | CAH | CAT | CAR | 179.4° | 179.9° |
| CAW | CAJ | CAT | CAH | 0.5° | 0.4° |
| CAW | CAJ | CAT | H14 | 180.0° | 180.0° |
| CAW | CAJ | CAT | CAR | 179.6° | 180.0° |
| CAH | CAT | CAR | OAB | 149.5° | 7.3° |
| CAH | CAT | CAJ | CAR | 179.1° | 179.6° |
| CAH | CAT | CAR | CAS | 31.2° | 172.7° |
| CAH | CAT | CAJ | H14 | 179.5° | 179.7° |
| CAT | CAH | CAI | H17 | 179.7° | 179.6° |
| OAB | CAR | CAT | CAJ | 29.6° | 172.3° |
| OAB | CAR | CAT | CAS | 179.2° | 180.0° |
| OAB | CAR | CAS | CAF | 40.0° | 145.7° |
| OAB | CAR | CAS | CAG | 139.4° | 34.0° |
| CAJ | CAT | CAR | CAS | 149.6° | 7.7° |
| CAJ | CAT | CAH | H18 | 179.7° | 179.9° |
| CAT | CAR | CAS | CAF | 140.7° | 34.2° |
| CAT | CAR | CAS | CAG | 39.9° | 146.0° |
| CAR | CAT | CAJ | H14 | 0.4° | 0.0° |
| CAR | CAT | CAH | H18 | 0.6° | 0.2° |
| CAR | CAS | CAF | CAG | 179.4° | 179.7° |
| CAR | CAS | CAF | CAD | 179.8° | 180.0° |
| CAR | CAS | CAG | CAE | 179.8° | 179.7° |
| CAR | CAS | CAF | H19 | 0.3° | 0.0° |
| CAR | CAS | CAG | H23 | 0.2° | 0.0° |
| CAS | CAF | CAD | H19 | 180.0° | 180.0° |
| CAS | CAF | CAD | CAC | 1.2° | 0.0° |
| CAF | CAS | CAG | CAE | 0.4° | 0.5° |
| CAS | CAF | CAD | H20 | 178.8° | 180.0° |
| CAF | CAS | CAG | H23 | 179.6° | 179.8° |
| CAD | CAF | CAS | CAG | 0.8° | 0.3° |
| CAF | CAD | CAC | H20 | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 1.1° | 0.0° |
| CAF | CAD | CAC | H21 | 178.9° | 179.9° |
| CAS | CAG | CAE | H23 | 180.0° | 179.7° |
| CAS | CAG | CAE | CAC | 0.2° | 0.6° |
| CAG | CAS | CAF | H19 | 179.1° | 179.7° |
| CAS | CAG | CAE | H22 | 179.8° | 179.7° |
| CAD | CAC | CAE | CAG | 0.6° | 0.3° |
| CAD | CAC | CAE | H21 | 180.0° | 179.9° |
| CAC | CAD | CAF | H19 | 178.8° | 180.0° |
| CAD | CAC | CAE | H22 | 179.4° | 180.0° |
| CAG | CAE | CAC | H22 | 180.0° | 179.7° |
| CAG | CAE | CAC | H21 | 179.4° | 179.8° |
| CAE | CAC | CAD | H20 | 178.9° | 180.0° |
| CAC | CAE | CAG | H23 | 179.7° | 179.7° |
| H1 | CAM | CAK | H3 | 59.2° | 60.8° |
| H1 | CAM | CAK | H4 | 61.1° | 59.1° |
| H1 | CAM | CAX | H11 | 50.0° | 57.7° |
| H2 | CAM | CAK | H3 | 179.0° | 59.3° |
| H2 | CAM | CAK | H4 | 58.7° | 179.2° |
| H2 | CAM | CAX | H11 | 169.8° | 177.8° |
| H3 | CAK | NAQ | H5 | 172.2° | 57.6° |
| H4 | CAK | NAQ | H5 | 67.6° | 177.5° |
| H5 | NAQ | CAL | H7 | 65.7° | 57.6° |
| H5 | NAQ | CAL | H8 | 173.9° | 177.6° |
| H7 | CAL | CAN | H9 | 56.1° | 59.2° |
| H7 | CAL | CAN | H10 | 63.3° | 60.8° |
| H8 | CAL | CAN | H9 | 176.5° | 179.2° |
| H8 | CAL | CAN | H10 | 57.1° | 59.2° |
| H9 | CAN | CAX | H11 | 168.8° | 177.8° |
| H10 | CAN | CAX | H11 | 49.4° | 57.7° |
| H11 | CAX | CAO | H12 | 168.9° | 65.2° |
| H11 | CAX | CAO | H13 | 72.2° | 174.8° |
| H17 | CAI | CAH | H18 | 0.3° | 0.1° |
| H19 | CAF | CAD | H20 | 1.2° | 0.0° |
| H20 | CAD | CAC | H21 | 1.1° | 0.1° |
| H21 | CAC | CAE | H22 | 0.6° | 0.0° |
| H22 | CAE | CAG | H23 | 0.3° | 0.0° |
