BS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAX | CAW | doub | 1.21Å | 1.23Å | |
| NAV | CAW | sing | 1.35Å | 1.36Å | |
| NAV | CAS | sing | 1.40Å | 1.41Å | |
| CAQ | CAS | doub | 1.39Å | 1.32Å | Aromatic |
| CAQ | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAU | sing | 1.50Å | 1.54Å | |
| CAS | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAO | CAN | doub | 1.39Å | 1.44Å | Aromatic |
| CAU | CAT | sing | 1.53Å | 1.54Å | |
| CAR | CAT | sing | 1.51Å | 1.57Å | |
| CAR | CAP | doub | 1.38Å | 1.46Å | Aromatic |
| CAN | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAN | CAK | sing | 1.48Å | 1.56Å | |
| CAL | CAK | doub | 1.35Å | 1.39Å | Aromatic |
| CAL | SAJ | sing | 1.76Å | 1.78Å | Aromatic |
| CAK | NAM | sing | 1.32Å | 1.36Å | Aromatic |
| SAJ | CAI | sing | 1.71Å | 1.80Å | Aromatic |
| NAM | CAI | doub | 1.29Å | 1.30Å | Aromatic |
| CAI | CAH | sing | 1.51Å | 1.48Å | |
| CAH | OAG | sing | 1.43Å | 1.43Å | |
| OAG | CAF | sing | 1.36Å | 1.42Å | |
| CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.38Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.42Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.43Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.47Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAC | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CAU | H14 | sing | 1.09Å | 1.10Å | |
| CAU | H15 | sing | 1.09Å | 1.10Å | |
| NAV | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAX | CAW | NAV | 120.9° | 119.5° |
| OAX | CAW | CAU | 123.8° | 119.6° |
| CAW | NAV | CAS | 123.8° | 120.3° |
| NAV | CAW | CAU | 115.4° | 120.9° |
| CAW | NAV | H16 | 118.1° | 119.7° |
| NAV | CAS | CAQ | 114.5° | 120.1° |
| NAV | CAS | CAR | 118.4° | 119.8° |
| CAS | NAV | H16 | 118.2° | 119.9° |
| CAS | CAQ | CAO | 118.1° | 120.0° |
| CAQ | CAS | CAR | 125.5° | 120.1° |
| CAS | CAQ | H11 | 121.0° | 120.0° |
| CAQ | CAO | CAN | 123.0° | 120.0° |
| CAQ | CAO | H9 | 118.5° | 120.0° |
| CAO | CAQ | H11 | 121.0° | 120.0° |
| CAW | CAU | CAT | 112.5° | 109.9° |
| CAW | CAU | H14 | 108.7° | 109.4° |
| CAW | CAU | H15 | 108.7° | 109.3° |
| CAS | CAR | CAT | 121.4° | 119.8° |
| CAS | CAR | CAP | 115.7° | 120.0° |
| CAO | CAN | CAP | 115.7° | 119.9° |
| CAO | CAN | CAK | 121.1° | 120.1° |
| CAN | CAO | H9 | 118.5° | 120.0° |
| CAU | CAT | CAR | 109.5° | 109.5° |
| CAU | CAT | H12 | 109.5° | 109.5° |
| CAU | CAT | H13 | 109.5° | 109.5° |
| CAT | CAU | H14 | 108.7° | 109.4° |
| CAT | CAU | H15 | 108.7° | 109.4° |
| CAT | CAR | CAP | 122.8° | 120.1° |
| CAR | CAT | H12 | 109.5° | 109.5° |
| CAR | CAT | H13 | 109.5° | 109.4° |
| CAR | CAP | CAN | 121.0° | 119.9° |
| CAR | CAP | H10 | 119.5° | 120.0° |
| CAP | CAN | CAK | 123.1° | 120.0° |
| CAN | CAP | H10 | 119.5° | 120.0° |
| CAN | CAK | CAL | 117.7° | 122.9° |
| CAN | CAK | NAM | 120.0° | 123.0° |
| CAK | CAL | SAJ | 106.4° | 107.9° |
| CAL | CAK | NAM | 120.7° | 114.1° |
| CAK | CAL | H8 | 126.8° | 126.1° |
| CAL | SAJ | CAI | 88.0° | 90.4° |
| SAJ | CAL | H8 | 126.8° | 126.0° |
| CAK | NAM | CAI | 108.9° | 117.1° |
| SAJ | CAI | NAM | 115.6° | 110.5° |
| SAJ | CAI | CAH | 119.9° | 124.8° |
| NAM | CAI | CAH | 124.4° | 124.7° |
| CAI | CAH | OAG | 113.2° | 109.5° |
| CAI | CAH | H6 | 108.5° | 109.4° |
| CAI | CAH | H7 | 108.5° | 109.5° |
| CAH | OAG | CAF | 124.3° | 117.0° |
| OAG | CAH | H6 | 108.5° | 109.5° |
| OAG | CAH | H7 | 108.6° | 109.5° |
| OAG | CAF | CAE | 122.4° | 120.1° |
| OAG | CAF | CAA | 113.9° | 120.1° |
| CAE | CAF | CAA | 123.6° | 119.9° |
| CAF | CAE | CAD | 114.5° | 120.0° |
| CAF | CAE | H5 | 122.7° | 120.0° |
| CAF | CAA | CAB | 123.0° | 119.9° |
| CAF | CAA | H1 | 118.5° | 120.0° |
| CAE | CAD | CAC | 124.7° | 120.0° |
| CAE | CAD | H4 | 117.7° | 120.0° |
| CAD | CAE | H5 | 122.8° | 120.0° |
| CAA | CAB | CAC | 113.8° | 120.1° |
| CAB | CAA | H1 | 118.5° | 120.1° |
| CAA | CAB | H2 | 123.1° | 120.0° |
| CAD | CAC | CAB | 120.1° | 120.1° |
| CAD | CAC | H3 | 120.0° | 119.9° |
| CAC | CAD | H4 | 117.7° | 120.0° |
| CAC | CAB | H2 | 123.1° | 120.0° |
| CAB | CAC | H3 | 119.9° | 120.0° |
| H6 | CAH | H7 | 109.5° | 109.4° |
| H12 | CAT | H13 | 109.5° | 109.4° |
| H14 | CAU | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAX | CAW | NAV | CAU | 179.9° | 179.3° |
| OAX | CAW | NAV | CAS | 160.7° | 179.6° |
| OAX | CAW | CAU | CAT | 132.1° | 144.8° |
| OAX | CAW | CAU | H14 | 11.7° | 24.7° |
| OAX | CAW | CAU | H15 | 107.4° | 95.1° |
| OAX | CAW | NAV | H16 | 19.3° | 1.5° |
| CAW | NAV | CAS | H16 | 180.0° | 179.0° |
| CAW | NAV | CAS | CAQ | 179.4° | 160.7° |
| CAW | NAV | CAS | CAR | 13.0° | 19.0° |
| NAV | CAW | CAU | CAT | 47.8° | 34.5° |
| NAV | CAW | CAU | H14 | 168.2° | 154.6° |
| NAV | CAW | CAU | H15 | 72.7° | 85.7° |
| NAV | CAS | CAQ | CAR | 165.3° | 179.7° |
| NAV | CAS | CAQ | CAO | 173.6° | 180.0° |
| CAS | NAV | CAW | CAU | 19.2° | 0.3° |
| NAV | CAS | CAR | CAT | 15.6° | 0.3° |
| NAV | CAS | CAR | CAP | 164.9° | 179.7° |
| NAV | CAS | CAQ | H11 | 6.4° | 0.3° |
| CAS | CAQ | CAO | H11 | 180.0° | 179.8° |
| CAS | CAQ | CAO | CAN | 9.1° | 0.0° |
| CAQ | CAS | CAR | CAT | 179.6° | 180.0° |
| CAQ | CAS | CAR | CAP | 0.1° | 0.5° |
| CAS | CAQ | CAO | H9 | 170.9° | 180.0° |
| CAQ | CAS | NAV | H16 | 0.6° | 18.3° |
| CAO | CAQ | CAS | CAR | 8.3° | 0.2° |
| CAQ | CAO | CAN | H9 | 180.0° | 180.0° |
| CAQ | CAO | CAN | CAP | 1.6° | 0.1° |
| CAQ | CAO | CAN | CAK | 176.3° | 179.7° |
| CAW | CAU | CAT | H14 | 120.5° | 120.1° |
| CAW | CAU | CAT | H15 | 120.5° | 120.1° |
| CAW | CAU | CAT | CAR | 42.3° | 48.7° |
| CAW | CAU | CAT | H12 | 77.7° | 71.3° |
| CAW | CAU | CAT | H13 | 162.3° | 168.7° |
| CAW | CAU | H14 | H15 | 118.6° | 119.7° |
| CAU | CAW | NAV | H16 | 160.8° | 179.2° |
| CAS | CAR | CAT | CAU | 12.8° | 34.5° |
| CAS | CAR | CAT | CAP | 179.5° | 179.5° |
| CAS | CAR | CAP | CAN | 7.9° | 0.6° |
| CAS | CAR | CAP | H10 | 172.1° | 179.5° |
| CAR | CAS | CAQ | H11 | 171.7° | 180.0° |
| CAS | CAR | CAT | H12 | 107.1° | 85.5° |
| CAS | CAR | CAT | H13 | 132.8° | 154.6° |
| CAR | CAS | NAV | H16 | 167.0° | 162.0° |
| CAO | CAN | CAP | CAR | 7.0° | 0.3° |
| CAO | CAN | CAP | CAK | 177.8° | 179.7° |
| CAO | CAN | CAK | CAL | 10.5° | 0.4° |
| CAO | CAN | CAK | NAM | 176.4° | 179.7° |
| CAO | CAN | CAP | H10 | 173.0° | 179.7° |
| CAN | CAO | CAQ | H11 | 170.9° | 179.8° |
| CAU | CAT | CAR | H12 | 120.0° | 120.0° |
| CAU | CAT | CAR | H13 | 120.0° | 120.0° |
| CAU | CAT | CAR | CAP | 166.7° | 146.0° |
| CAU | CAT | H12 | H13 | 120.0° | 120.0° |
| CAT | CAU | H14 | H15 | 118.6° | 119.9° |
| CAT | CAR | CAP | CAN | 171.7° | 180.0° |
| CAT | CAR | CAP | H10 | 8.3° | 0.0° |
| CAR | CAT | H12 | H13 | 120.0° | 120.0° |
| CAR | CAT | CAU | H14 | 162.8° | 168.8° |
| CAR | CAT | CAU | H15 | 78.2° | 71.4° |
| CAR | CAP | CAN | H10 | 180.0° | 180.0° |
| CAR | CAP | CAN | CAK | 175.2° | 180.0° |
| CAP | CAR | CAT | H12 | 73.3° | 94.0° |
| CAP | CAR | CAT | H13 | 46.7° | 26.0° |
| CAP | CAN | CAK | CAL | 171.8° | 179.9° |
| CAP | CAN | CAK | NAM | 5.9° | 0.0° |
| CAP | CAN | CAO | H9 | 178.5° | 179.9° |
| CAN | CAK | CAL | NAM | 165.8° | 179.9° |
| CAN | CAK | CAL | SAJ | 168.4° | 179.8° |
| CAN | CAK | NAM | CAI | 163.7° | 180.0° |
| CAN | CAK | CAL | H8 | 11.6° | 0.2° |
| CAK | CAN | CAO | H9 | 3.7° | 0.3° |
| CAK | CAN | CAP | H10 | 4.8° | 0.0° |
| CAK | CAL | SAJ | H8 | 180.0° | 180.0° |
| CAK | CAL | SAJ | CAI | 4.3° | 0.2° |
| CAL | CAK | NAM | CAI | 1.8° | 0.1° |
| SAJ | CAL | CAK | NAM | 2.5° | 0.1° |
| CAL | SAJ | CAI | NAM | 5.9° | 0.3° |
| CAL | SAJ | CAI | CAH | 170.7° | 180.0° |
| CAK | NAM | CAI | SAJ | 5.4° | 0.3° |
| CAK | NAM | CAI | CAH | 171.0° | 180.0° |
| NAM | CAK | CAL | H8 | 177.4° | 179.9° |
| SAJ | CAI | NAM | CAH | 176.4° | 179.7° |
| SAJ | CAI | CAH | OAG | 162.6° | 90.3° |
| SAJ | CAI | CAH | H6 | 42.1° | 29.7° |
| SAJ | CAI | CAH | H7 | 76.8° | 149.7° |
| CAI | SAJ | CAL | H8 | 175.7° | 179.8° |
| NAM | CAI | CAH | OAG | 13.7° | 90.0° |
| NAM | CAI | CAH | H6 | 134.2° | 150.0° |
| NAM | CAI | CAH | H7 | 106.9° | 30.0° |
| CAI | CAH | OAG | H6 | 120.6° | 120.0° |
| CAI | CAH | OAG | H7 | 120.6° | 120.1° |
| CAI | CAH | OAG | CAF | 178.0° | 180.0° |
| CAI | CAH | H6 | H7 | 118.3° | 120.0° |
| CAH | OAG | CAF | CAE | 31.3° | 180.0° |
| CAH | OAG | CAF | CAA | 145.7° | 0.6° |
| OAG | CAH | H6 | H7 | 118.3° | 120.0° |
| OAG | CAF | CAE | CAA | 176.7° | 179.4° |
| OAG | CAF | CAE | CAD | 177.9° | 180.0° |
| OAG | CAF | CAA | CAB | 173.2° | 179.9° |
| OAG | CAF | CAA | H1 | 6.8° | 0.4° |
| OAG | CAF | CAE | H5 | 2.1° | 0.3° |
| CAF | OAG | CAH | H6 | 57.4° | 60.0° |
| CAF | OAG | CAH | H7 | 61.5° | 59.9° |
| CAF | CAE | CAD | H5 | 180.0° | 179.7° |
| CAE | CAF | CAA | CAB | 3.8° | 0.6° |
| CAF | CAE | CAD | CAC | 3.4° | 0.3° |
| CAE | CAF | CAA | H1 | 176.3° | 179.7° |
| CAF | CAE | CAD | H4 | 176.6° | 179.7° |
| CAA | CAF | CAE | CAD | 1.2° | 0.6° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAF | CAA | CAB | CAC | 6.1° | 0.3° |
| CAF | CAA | CAB | H2 | 174.0° | 179.7° |
| CAA | CAF | CAE | H5 | 178.8° | 179.6° |
| CAE | CAD | CAC | H4 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 0.8° | 0.0° |
| CAE | CAD | CAC | H3 | 179.2° | 179.9° |
| CAA | CAB | CAC | CAD | 3.8° | 0.0° |
| CAA | CAB | CAC | H2 | 180.0° | 179.9° |
| CAA | CAB | CAC | H3 | 176.2° | 180.0° |
| CAD | CAC | CAB | H3 | 180.0° | 179.9° |
| CAD | CAC | CAB | H2 | 176.2° | 180.0° |
| CAC | CAD | CAE | H5 | 176.6° | 179.9° |
| CAC | CAB | CAA | H1 | 174.0° | 179.9° |
| CAB | CAC | CAD | H4 | 179.2° | 179.9° |
| H1 | CAA | CAB | H2 | 6.0° | 0.0° |
| H2 | CAB | CAC | H3 | 3.8° | 0.1° |
| H3 | CAC | CAD | H4 | 0.8° | 0.0° |
| H4 | CAD | CAE | H5 | 3.4° | 0.0° |
| H9 | CAO | CAQ | H11 | 9.1° | 0.2° |
| H12 | CAT | CAU | H14 | 42.8° | 48.8° |
| H12 | CAT | CAU | H15 | 161.8° | 168.6° |
| H13 | CAT | CAU | H14 | 77.2° | 71.2° |
| H13 | CAT | CAU | H15 | 41.8° | 48.6° |
