3VR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| CAC | CAB | sing | 1.40Å | 1.33Å | Aromatic |
| NAK | NAO | sing | 1.40Å | 1.22Å | Aromatic |
| CAB | CAH | doub | 1.35Å | 1.33Å | Aromatic |
| NAO | CAH | sing | 1.35Å | 1.33Å | Aromatic |
| NAO | CAJ | sing | 1.47Å | 1.48Å | |
| CAJ | CAN | sing | 1.51Å | 1.43Å | |
| CAA | NAL | sing | 1.47Å | 1.49Å | |
| CAF | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| NAL | CAI | sing | 1.47Å | 1.50Å | |
| CAM | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAI | sing | 1.51Å | 1.43Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| NAL | H4 | sing | 1.01Å | 1.00Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.08Å | 1.08Å | |
| CAB | H15 | sing | 1.08Å | 1.08Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAK | CAC | CAB | 107.0° | 108.2° |
| CAC | NAK | NAO | 110.4° | 108.2° |
| NAK | CAC | H14 | 126.5° | 125.9° |
| CAC | CAB | CAH | 105.8° | 107.9° |
| CAB | CAC | H14 | 126.5° | 125.9° |
| CAC | CAB | H15 | 127.1° | 126.0° |
| NAK | NAO | CAH | 109.4° | 107.9° |
| NAK | NAO | CAJ | 124.3° | 126.1° |
| CAB | CAH | NAO | 107.4° | 107.7° |
| CAH | CAB | H15 | 127.1° | 126.0° |
| CAB | CAH | H16 | 126.3° | 126.1° |
| CAH | NAO | CAJ | 126.3° | 126.0° |
| NAO | CAH | H16 | 126.3° | 126.1° |
| NAO | CAJ | CAN | 107.9° | 109.5° |
| NAO | CAJ | H12 | 109.8° | 109.5° |
| NAO | CAJ | H13 | 109.9° | 109.4° |
| CAJ | CAN | CAF | 121.6° | 120.0° |
| CAJ | CAN | CAG | 119.9° | 120.0° |
| CAN | CAJ | H12 | 109.9° | 109.5° |
| CAN | CAJ | H13 | 109.8° | 109.4° |
| CAA | NAL | CAI | 112.6° | 111.0° |
| NAL | CAA | H1 | 109.5° | 109.5° |
| NAL | CAA | H2 | 109.5° | 109.5° |
| NAL | CAA | H3 | 109.5° | 109.4° |
| CAA | NAL | H4 | 108.7° | 110.9° |
| CAN | CAF | CAD | 120.9° | 120.0° |
| CAF | CAN | CAG | 118.5° | 120.0° |
| CAN | CAF | H11 | 119.5° | 120.0° |
| CAF | CAD | CAM | 120.8° | 120.0° |
| CAF | CAD | H10 | 119.6° | 120.0° |
| CAD | CAF | H11 | 119.5° | 119.9° |
| CAN | CAG | CAE | 120.6° | 120.0° |
| CAN | CAG | H9 | 119.7° | 119.9° |
| CAD | CAM | CAE | 117.8° | 120.0° |
| CAD | CAM | CAI | 121.2° | 120.0° |
| CAM | CAD | H10 | 119.6° | 120.0° |
| CAG | CAE | CAM | 121.4° | 120.0° |
| CAG | CAE | H8 | 119.3° | 120.0° |
| CAE | CAG | H9 | 119.7° | 120.1° |
| NAL | CAI | CAM | 112.6° | 109.4° |
| CAI | NAL | H4 | 108.7° | 111.0° |
| NAL | CAI | H6 | 108.7° | 109.4° |
| NAL | CAI | H7 | 108.7° | 109.5° |
| CAE | CAM | CAI | 121.0° | 120.0° |
| CAM | CAE | H8 | 119.3° | 120.0° |
| CAM | CAI | H6 | 108.7° | 109.4° |
| CAM | CAI | H7 | 108.7° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H6 | CAI | H7 | 109.5° | 109.6° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAK | CAC | CAB | H14 | 180.0° | 180.0° |
| NAK | CAC | CAB | CAH | 0.3° | 0.0° |
| CAC | NAK | NAO | CAH | 0.8° | 0.0° |
| CAC | NAK | NAO | CAJ | 178.2° | 179.7° |
| NAK | CAC | CAB | H15 | 179.7° | 180.0° |
| CAB | CAC | NAK | NAO | 0.6° | 0.0° |
| CAC | CAB | CAH | H15 | 180.0° | 180.0° |
| CAC | CAB | CAH | NAO | 0.2° | 0.0° |
| CAC | CAB | CAH | H16 | 179.8° | 179.8° |
| NAK | NAO | CAH | CAB | 0.6° | 0.1° |
| NAK | NAO | CAH | CAJ | 177.4° | 179.7° |
| NAK | NAO | CAJ | CAN | 89.3° | 54.7° |
| NAK | NAO | CAJ | H12 | 30.5° | 174.7° |
| NAK | NAO | CAJ | H13 | 151.0° | 65.2° |
| NAO | NAK | CAC | H14 | 179.3° | 180.0° |
| NAK | NAO | CAH | H16 | 179.4° | 179.8° |
| CAB | CAH | NAO | H16 | 180.0° | 179.8° |
| CAB | CAH | NAO | CAJ | 178.0° | 179.7° |
| CAH | CAB | CAC | H14 | 179.7° | 180.0° |
| CAH | NAO | CAJ | CAN | 87.8° | 125.0° |
| CAH | NAO | CAJ | H12 | 152.5° | 4.9° |
| CAH | NAO | CAJ | H13 | 32.0° | 115.1° |
| NAO | CAH | CAB | H15 | 179.8° | 180.0° |
| NAO | CAJ | CAN | H12 | 119.8° | 120.1° |
| NAO | CAJ | CAN | H13 | 119.8° | 119.9° |
| NAO | CAJ | CAN | CAF | 105.7° | 89.9° |
| NAO | CAJ | CAN | CAG | 73.5° | 90.9° |
| NAO | CAJ | H12 | H13 | 120.7° | 120.0° |
| CAJ | NAO | CAH | H16 | 2.0° | 0.1° |
| CAJ | CAN | CAF | CAG | 179.2° | 179.1° |
| CAJ | CAN | CAF | CAD | 180.0° | 180.0° |
| CAJ | CAN | CAG | CAE | 179.8° | 179.7° |
| CAJ | CAN | CAG | H9 | 0.2° | 0.3° |
| CAJ | CAN | CAF | H11 | 0.0° | 0.9° |
| CAN | CAJ | H12 | H13 | 120.7° | 120.0° |
| CAA | NAL | CAI | H4 | 120.5° | 123.9° |
| CAA | NAL | CAI | CAM | 59.2° | 180.0° |
| NAL | CAA | H1 | H2 | 120.0° | 120.1° |
| NAL | CAA | H1 | H3 | 120.0° | 120.0° |
| NAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | NAL | CAI | H6 | 179.7° | 60.1° |
| CAA | NAL | CAI | H7 | 61.2° | 60.0° |
| CAN | CAF | CAD | H11 | 180.0° | 179.1° |
| CAN | CAF | CAD | CAM | 0.5° | 0.5° |
| CAF | CAN | CAG | CAE | 1.0° | 0.6° |
| CAF | CAN | CAG | H9 | 179.0° | 179.4° |
| CAN | CAF | CAD | H10 | 179.5° | 179.4° |
| CAF | CAN | CAJ | H12 | 14.0° | 150.0° |
| CAF | CAN | CAJ | H13 | 134.5° | 30.0° |
| CAD | CAF | CAN | CAG | 0.7° | 0.9° |
| CAF | CAD | CAM | H10 | 180.0° | 180.0° |
| CAF | CAD | CAM | CAE | 0.4° | 0.1° |
| CAF | CAD | CAM | CAI | 178.6° | 179.7° |
| CAN | CAG | CAE | H9 | 180.0° | 180.0° |
| CAN | CAG | CAE | CAM | 1.0° | 0.0° |
| CAN | CAG | CAE | H8 | 179.0° | 180.0° |
| CAG | CAN | CAF | H11 | 179.2° | 180.0° |
| CAG | CAN | CAJ | H12 | 166.8° | 29.1° |
| CAG | CAN | CAJ | H13 | 46.3° | 149.1° |
| CAD | CAM | CAE | CAG | 0.7° | 0.3° |
| CAD | CAM | CAI | NAL | 100.4° | 90.3° |
| CAD | CAM | CAE | CAI | 179.0° | 179.7° |
| CAD | CAM | CAI | H6 | 139.1° | 149.8° |
| CAD | CAM | CAI | H7 | 20.1° | 29.7° |
| CAD | CAM | CAE | H8 | 179.3° | 179.7° |
| CAM | CAD | CAF | H11 | 179.5° | 179.7° |
| CAG | CAE | CAM | H8 | 180.0° | 180.0° |
| CAG | CAE | CAM | CAI | 178.3° | 180.0° |
| NAL | CAI | CAM | CAE | 78.6° | 90.0° |
| NAL | CAI | CAM | H6 | 120.5° | 119.9° |
| NAL | CAI | CAM | H7 | 120.5° | 120.0° |
| CAI | NAL | CAA | H1 | 180.0° | 180.0° |
| CAI | NAL | CAA | H2 | 60.0° | 59.9° |
| CAI | NAL | CAA | H3 | 60.0° | 60.0° |
| NAL | CAI | H6 | H7 | 118.6° | 120.1° |
| CAE | CAM | CAI | H6 | 41.9° | 29.9° |
| CAE | CAM | CAI | H7 | 161.0° | 150.0° |
| CAM | CAE | CAG | H9 | 179.0° | 180.0° |
| CAE | CAM | CAD | H10 | 179.6° | 180.0° |
| CAM | CAI | NAL | H4 | 61.3° | 56.1° |
| CAM | CAI | H6 | H7 | 118.6° | 120.0° |
| CAI | CAM | CAE | H8 | 1.7° | 0.0° |
| CAI | CAM | CAD | H10 | 1.4° | 0.3° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | NAL | H4 | 59.5° | 56.1° |
| H2 | CAA | NAL | H4 | 60.5° | 64.0° |
| H3 | CAA | NAL | H4 | 179.5° | 176.0° |
| H4 | NAL | CAI | H6 | 59.2° | 176.0° |
| H4 | NAL | CAI | H7 | 178.3° | 63.9° |
| H8 | CAE | CAG | H9 | 1.0° | 0.0° |
| H10 | CAD | CAF | H11 | 0.5° | 0.3° |
| H14 | CAC | CAB | H15 | 0.3° | 0.0° |
| H15 | CAB | CAH | H16 | 0.2° | 0.2° |
