TVI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | NAN | doub | 1.32Å | 1.40Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| NAN | CAM | sing | 1.32Å | 1.40Å | Aromatic |
| BRAQ | CAP | sing | 1.89Å | 1.88Å | |
| CAP | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | OAK | sing | 1.36Å | 1.37Å | |
| OAK | CAJ | sing | 1.43Å | 1.43Å | |
| CAJ | CAI | sing | 1.51Å | 1.54Å | |
| CAH | CAI | doub | 1.35Å | 1.32Å | Aromatic |
| CAH | NAG | sing | 1.35Å | 1.33Å | Aromatic |
| CAI | NAS | sing | 1.34Å | 1.32Å | Aromatic |
| CAD | CAC | sing | 1.55Å | 1.52Å | |
| CAD | NAE | sing | 1.48Å | 1.48Å | |
| CAC | NAG | sing | 1.46Å | 1.49Å | |
| CAC | CAB | sing | 1.55Å | 1.51Å | |
| NAG | NAT | sing | 1.29Å | 1.27Å | Aromatic |
| NAS | NAT | doub | 1.29Å | 1.24Å | Aromatic |
| NAE | CAF | sing | 1.47Å | 1.48Å | |
| OAA | CAB | sing | 1.43Å | 1.43Å | |
| CAB | CAF | sing | 1.54Å | 1.53Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.08Å | 1.08Å | |
| CAR | H12 | sing | 1.08Å | 1.08Å | |
| NAE | H13 | sing | 1.01Å | 1.00Å | |
| OAA | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAN | CAO | CAP | 119.6° | 120.9° |
| CAO | NAN | CAM | 119.6° | 121.7° |
| NAN | CAO | H11 | 120.2° | 119.6° |
| CAO | CAP | BRAQ | 119.3° | 120.4° |
| CAO | CAP | CAR | 120.7° | 119.2° |
| CAP | CAO | H11 | 120.2° | 119.5° |
| NAN | CAM | CAL | 120.7° | 120.7° |
| NAN | CAM | H10 | 119.7° | 119.6° |
| BRAQ | CAP | CAR | 119.9° | 120.4° |
| CAP | CAR | CAL | 120.2° | 118.4° |
| CAP | CAR | H12 | 119.9° | 120.8° |
| CAM | CAL | CAR | 119.2° | 119.0° |
| CAM | CAL | OAK | 122.0° | 120.4° |
| CAL | CAM | H10 | 119.7° | 119.7° |
| CAR | CAL | OAK | 118.8° | 120.5° |
| CAL | CAR | H12 | 119.9° | 120.8° |
| CAL | OAK | CAJ | 114.4° | 117.0° |
| OAK | CAJ | CAI | 110.8° | 109.5° |
| OAK | CAJ | H8 | 109.1° | 109.4° |
| OAK | CAJ | H9 | 109.1° | 109.4° |
| CAJ | CAI | CAH | 125.2° | 126.8° |
| CAJ | CAI | NAS | 126.3° | 126.8° |
| CAI | CAJ | H8 | 109.1° | 109.5° |
| CAI | CAJ | H9 | 109.2° | 109.5° |
| CAI | CAH | NAG | 104.3° | 106.2° |
| CAH | CAI | NAS | 108.5° | 106.5° |
| CAI | CAH | H7 | 127.8° | 126.9° |
| CAH | NAG | CAC | 120.0° | 125.9° |
| CAH | NAG | NAT | 108.5° | 108.2° |
| NAG | CAH | H7 | 127.8° | 126.9° |
| CAI | NAS | NAT | 107.5° | 108.9° |
| CAC | CAD | NAE | 104.9° | 104.8° |
| CAD | CAC | NAG | 114.2° | 111.0° |
| CAD | CAC | CAB | 99.9° | 101.7° |
| CAD | CAC | H2 | 109.5° | 111.0° |
| CAC | CAD | H3 | 110.6° | 110.3° |
| CAC | CAD | H4 | 110.6° | 110.4° |
| CAD | NAE | CAF | 105.8° | 108.6° |
| NAE | CAD | H3 | 110.6° | 110.3° |
| NAE | CAD | H4 | 110.6° | 110.4° |
| CAD | NAE | H13 | 110.4° | 111.0° |
| NAG | CAC | CAB | 113.2° | 111.0° |
| CAC | NAG | NAT | 131.5° | 125.9° |
| NAG | CAC | H2 | 109.9° | 110.9° |
| CAC | CAB | OAA | 109.1° | 110.8° |
| CAC | CAB | CAF | 101.4° | 103.0° |
| CAC | CAB | H1 | 111.5° | 110.7° |
| CAB | CAC | H2 | 109.7° | 111.0° |
| NAG | NAT | NAS | 111.2° | 110.2° |
| NAE | CAF | CAB | 106.5° | 107.2° |
| NAE | CAF | H5 | 110.2° | 109.8° |
| NAE | CAF | H6 | 110.2° | 110.0° |
| CAF | NAE | H13 | 110.4° | 111.0° |
| OAA | CAB | CAF | 110.0° | 110.7° |
| OAA | CAB | H1 | 112.9° | 110.7° |
| CAB | OAA | H15 | 109.5° | 113.9° |
| CAF | CAB | H1 | 111.3° | 110.7° |
| CAB | CAF | H5 | 110.2° | 109.9° |
| CAB | CAF | H6 | 110.2° | 109.9° |
| H3 | CAD | H4 | 109.5° | 110.4° |
| H5 | CAF | H6 | 109.5° | 109.9° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAN | CAO | CAP | H11 | 180.0° | 179.6° |
| NAN | CAO | CAP | BRAQ | 180.0° | 180.0° |
| NAN | CAO | CAP | CAR | 0.4° | 0.3° |
| CAO | NAN | CAM | CAL | 0.6° | 0.0° |
| CAO | NAN | CAM | H10 | 179.4° | 180.0° |
| CAP | CAO | NAN | CAM | 0.3° | 0.3° |
| CAO | CAP | BRAQ | CAR | 179.6° | 179.7° |
| CAO | CAP | CAR | CAL | 0.6° | 0.0° |
| CAO | CAP | CAR | H12 | 179.3° | 179.9° |
| NAN | CAM | CAL | H10 | 180.0° | 180.0° |
| NAN | CAM | CAL | CAR | 0.9° | 0.3° |
| NAN | CAM | CAL | OAK | 179.4° | 180.0° |
| CAM | NAN | CAO | H11 | 179.7° | 180.0° |
| BRAQ | CAP | CAR | CAL | 179.8° | 179.7° |
| BRAQ | CAP | CAO | H11 | 0.0° | 0.3° |
| BRAQ | CAP | CAR | H12 | 0.3° | 0.3° |
| CAP | CAR | CAL | CAM | 0.9° | 0.3° |
| CAP | CAR | CAL | H12 | 180.0° | 180.0° |
| CAP | CAR | CAL | OAK | 179.4° | 180.0° |
| CAR | CAP | CAO | H11 | 179.7° | 180.0° |
| CAM | CAL | CAR | OAK | 179.7° | 179.7° |
| CAM | CAL | OAK | CAJ | 10.3° | 0.0° |
| CAM | CAL | CAR | H12 | 179.1° | 179.8° |
| CAR | CAL | OAK | CAJ | 169.9° | 179.7° |
| CAR | CAL | CAM | H10 | 179.1° | 179.7° |
| CAL | OAK | CAJ | CAI | 69.8° | 180.0° |
| CAL | OAK | CAJ | H8 | 50.4° | 60.0° |
| CAL | OAK | CAJ | H9 | 170.0° | 60.0° |
| OAK | CAL | CAM | H10 | 0.6° | 0.0° |
| OAK | CAL | CAR | H12 | 0.6° | 0.0° |
| OAK | CAJ | CAI | H8 | 120.2° | 120.0° |
| OAK | CAJ | CAI | H9 | 120.2° | 120.0° |
| OAK | CAJ | CAI | CAH | 139.2° | 0.0° |
| OAK | CAJ | CAI | NAS | 39.1° | 180.0° |
| OAK | CAJ | H8 | H9 | 119.4° | 120.0° |
| CAJ | CAI | CAH | NAS | 178.6° | 180.0° |
| CAJ | CAI | CAH | NAG | 179.0° | 179.9° |
| CAJ | CAI | NAS | NAT | 179.1° | 180.0° |
| CAJ | CAI | CAH | H7 | 1.0° | 0.3° |
| CAI | CAJ | H8 | H9 | 119.4° | 120.0° |
| CAI | CAH | NAG | H7 | 180.0° | 179.6° |
| CAI | CAH | NAG | CAC | 179.0° | 180.0° |
| CAI | CAH | NAG | NAT | 0.2° | 0.1° |
| CAH | CAI | NAS | NAT | 0.6° | 0.0° |
| CAH | CAI | CAJ | H8 | 19.0° | 120.0° |
| CAH | CAI | CAJ | H9 | 100.6° | 120.0° |
| NAG | CAH | CAI | NAS | 0.4° | 0.0° |
| CAH | NAG | CAC | CAD | 117.1° | 27.3° |
| CAH | NAG | CAC | NAT | 179.0° | 180.0° |
| CAH | NAG | CAC | CAB | 129.5° | 85.0° |
| CAH | NAG | NAT | NAS | 0.1° | 0.0° |
| CAH | NAG | CAC | H2 | 6.5° | 151.1° |
| CAI | NAS | NAT | NAG | 0.4° | 0.0° |
| NAS | CAI | CAH | H7 | 179.5° | 179.7° |
| NAS | CAI | CAJ | H8 | 159.3° | 60.0° |
| NAS | CAI | CAJ | H9 | 81.1° | 60.1° |
| CAC | CAD | NAE | H3 | 119.3° | 118.8° |
| CAC | CAD | NAE | H4 | 119.3° | 118.9° |
| CAD | CAC | NAG | CAB | 113.4° | 112.3° |
| CAD | CAC | NAG | H2 | 123.5° | 123.8° |
| CAD | CAC | CAB | H2 | 115.0° | 118.1° |
| CAD | CAC | NAG | NAT | 63.9° | 152.7° |
| CAC | CAD | NAE | CAF | 25.0° | 24.1° |
| CAD | CAC | CAB | OAA | 72.3° | 154.1° |
| CAD | CAC | CAB | CAF | 43.8° | 35.6° |
| CAD | CAC | CAB | H1 | 162.4° | 82.8° |
| CAC | CAD | H3 | H4 | 122.2° | 122.3° |
| CAC | CAD | NAE | H13 | 94.4° | 146.3° |
| NAE | CAD | CAC | NAG | 77.7° | 155.2° |
| NAE | CAD | CAC | CAB | 43.4° | 37.0° |
| CAD | NAE | CAF | H13 | 119.4° | 122.3° |
| CAD | NAE | CAF | CAB | 3.2° | 1.0° |
| NAE | CAD | CAC | H2 | 158.5° | 81.1° |
| NAE | CAD | H3 | H4 | 122.1° | 122.3° |
| CAD | NAE | CAF | H5 | 116.4° | 120.4° |
| CAD | NAE | CAF | H6 | 122.7° | 118.5° |
| NAG | CAC | CAB | H2 | 123.2° | 123.8° |
| CAC | NAG | NAT | NAS | 179.2° | 180.0° |
| NAG | CAC | CAB | OAA | 165.9° | 87.8° |
| NAG | CAC | CAB | CAF | 78.1° | 153.8° |
| NAG | CAC | CAB | H1 | 40.5° | 35.4° |
| NAG | CAC | CAD | H3 | 41.6° | 36.4° |
| NAG | CAC | CAD | H4 | 163.0° | 86.0° |
| CAC | NAG | CAH | H7 | 1.0° | 0.3° |
| CAB | CAC | NAG | NAT | 49.5° | 95.0° |
| CAC | CAB | CAF | NAE | 30.0° | 22.3° |
| CAC | CAB | OAA | CAF | 110.4° | 113.7° |
| CAC | CAB | OAA | H1 | 124.6° | 123.2° |
| CAC | CAB | CAF | H1 | 118.7° | 118.4° |
| CAB | CAC | CAD | H3 | 162.7° | 81.7° |
| CAB | CAC | CAD | H4 | 75.8° | 155.9° |
| CAC | CAB | CAF | H5 | 89.5° | 97.1° |
| CAC | CAB | CAF | H6 | 149.6° | 141.9° |
| CAC | CAB | OAA | H15 | 180.0° | 175.2° |
| NAT | NAG | CAC | H2 | 172.5° | 28.9° |
| NAT | NAG | CAH | H7 | 179.8° | 179.7° |
| NAE | CAF | CAB | OAA | 85.4° | 140.8° |
| NAE | CAF | CAB | H5 | 119.5° | 119.4° |
| NAE | CAF | CAB | H6 | 119.5° | 119.6° |
| NAE | CAF | CAB | H1 | 148.8° | 96.1° |
| CAF | NAE | CAD | H3 | 144.3° | 94.7° |
| CAF | NAE | CAD | H4 | 94.2° | 142.9° |
| NAE | CAF | H5 | H6 | 121.3° | 121.2° |
| OAA | CAB | CAF | H1 | 125.9° | 123.1° |
| OAA | CAB | CAC | H2 | 42.7° | 36.0° |
| OAA | CAB | CAF | H5 | 155.1° | 21.4° |
| OAA | CAB | CAF | H6 | 34.2° | 99.6° |
| CAF | CAB | CAC | H2 | 158.8° | 82.4° |
| CAB | CAF | H5 | H6 | 121.4° | 121.1° |
| CAB | CAF | NAE | H13 | 122.6° | 123.3° |
| CAF | CAB | OAA | H15 | 69.6° | 61.5° |
| H1 | CAB | CAC | H2 | 82.7° | 159.2° |
| H1 | CAB | CAF | H5 | 29.3° | 144.5° |
| H1 | CAB | CAF | H6 | 91.7° | 23.5° |
| H1 | CAB | OAA | H15 | 55.4° | 61.6° |
| H2 | CAC | CAD | H3 | 82.2° | 160.2° |
| H2 | CAC | CAD | H4 | 39.3° | 37.8° |
| H3 | CAD | NAE | H13 | 24.9° | 27.5° |
| H4 | CAD | NAE | H13 | 146.3° | 94.8° |
| H5 | CAF | NAE | H13 | 3.1° | 117.3° |
| H6 | CAF | NAE | H13 | 117.9° | 3.7° |
