RNB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAS | sing | 1.36Å | 1.35Å | |
| OAE | CAI | doub | 1.21Å | 1.21Å | |
| CAI | CAU | sing | 1.47Å | 1.40Å | |
| CAS | CAU | doub | 1.41Å | 1.40Å | Aromatic |
| CAS | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAK | sing | 1.51Å | 1.52Å | |
| CAM | CAV | sing | 1.51Å | 1.41Å | |
| CAK | CAP | doub | 1.31Å | 1.51Å | |
| CAU | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAN | sing | 1.51Å | 1.53Å | |
| CAP | CAC | sing | 1.51Å | 1.57Å | |
| CAN | CAL | sing | 1.53Å | 1.55Å | |
| CAQ | CAD | sing | 1.51Å | 1.41Å | |
| CAQ | CAT | doub | 1.36Å | 1.41Å | Aromatic |
| CAR | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | OAF | sing | 1.36Å | 1.35Å | |
| CAL | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | CAO | doub | 1.31Å | 1.55Å | |
| CAT | CL | sing | 1.74Å | 1.87Å | |
| CAO | CAB | sing | 1.51Å | 1.53Å | |
| CAO | CAA | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| OAG | H18 | sing | 0.97Å | 0.95Å | |
| CAI | H19 | sing | 1.08Å | 1.08Å | |
| CAD | H20 | sing | 1.09Å | 1.10Å | |
| CAD | H21 | sing | 1.09Å | 1.10Å | |
| CAD | H22 | sing | 1.09Å | 1.10Å | |
| OAF | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAS | CAU | 119.0° | 120.2° |
| OAG | CAS | CAV | 118.3° | 120.2° |
| CAS | OAG | H18 | 109.5° | 114.0° |
| OAE | CAI | CAU | 122.3° | 120.0° |
| OAE | CAI | H19 | 118.9° | 120.0° |
| CAI | CAU | CAS | 121.4° | 120.2° |
| CAI | CAU | CAQ | 119.5° | 120.1° |
| CAU | CAI | H19 | 118.8° | 120.0° |
| CAU | CAS | CAV | 122.7° | 119.6° |
| CAS | CAU | CAQ | 119.1° | 119.7° |
| CAS | CAV | CAM | 122.0° | 120.0° |
| CAS | CAV | CAR | 116.3° | 120.0° |
| CAK | CAM | CAV | 106.7° | 109.5° |
| CAM | CAK | CAP | 122.5° | 120.0° |
| CAM | CAK | H15 | 118.8° | 120.0° |
| CAK | CAM | H16 | 110.2° | 109.5° |
| CAK | CAM | H17 | 110.2° | 109.4° |
| CAM | CAV | CAR | 121.6° | 120.0° |
| CAV | CAM | H16 | 110.2° | 109.5° |
| CAV | CAM | H17 | 110.2° | 109.4° |
| CAK | CAP | CAN | 117.3° | 120.0° |
| CAK | CAP | CAC | 122.9° | 120.0° |
| CAP | CAK | H15 | 118.8° | 120.0° |
| CAU | CAQ | CAD | 117.8° | 120.0° |
| CAU | CAQ | CAT | 119.7° | 120.1° |
| CAV | CAR | CAT | 124.2° | 120.3° |
| CAV | CAR | OAF | 119.3° | 119.8° |
| CAN | CAP | CAC | 119.8° | 120.0° |
| CAP | CAN | CAL | 106.6° | 109.4° |
| CAP | CAN | H10 | 110.2° | 109.5° |
| CAP | CAN | H11 | 110.2° | 109.5° |
| CAP | CAC | H12 | 109.5° | 109.4° |
| CAP | CAC | H13 | 109.5° | 109.5° |
| CAP | CAC | H14 | 109.5° | 109.5° |
| CAN | CAL | CAJ | 110.7° | 109.5° |
| CAN | CAL | H8 | 109.2° | 109.5° |
| CAN | CAL | H9 | 109.2° | 109.5° |
| CAL | CAN | H10 | 110.2° | 109.5° |
| CAL | CAN | H11 | 110.2° | 109.5° |
| CAD | CAQ | CAT | 122.5° | 120.0° |
| CAQ | CAD | H20 | 109.5° | 109.5° |
| CAQ | CAD | H21 | 109.5° | 109.5° |
| CAQ | CAD | H22 | 109.5° | 109.5° |
| CAQ | CAT | CAR | 118.0° | 120.4° |
| CAQ | CAT | CL | 126.2° | 119.9° |
| CAT | CAR | OAF | 116.6° | 119.9° |
| CAR | CAT | CL | 115.8° | 119.8° |
| CAR | OAF | H23 | 109.5° | 114.0° |
| CAL | CAJ | CAO | 119.8° | 120.0° |
| CAL | CAJ | H7 | 120.1° | 120.0° |
| CAJ | CAL | H8 | 109.1° | 109.5° |
| CAJ | CAL | H9 | 109.2° | 109.5° |
| CAJ | CAO | CAB | 119.9° | 120.0° |
| CAJ | CAO | CAA | 120.5° | 120.0° |
| CAO | CAJ | H7 | 120.1° | 120.0° |
| CAB | CAO | CAA | 119.5° | 120.0° |
| CAO | CAB | H4 | 109.5° | 109.5° |
| CAO | CAB | H5 | 109.4° | 109.5° |
| CAO | CAB | H6 | 109.4° | 109.5° |
| CAO | CAA | H1 | 109.5° | 109.4° |
| CAO | CAA | H2 | 109.5° | 109.5° |
| CAO | CAA | H3 | 109.4° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H8 | CAL | H9 | 109.5° | 109.5° |
| H10 | CAN | H11 | 109.5° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H12 | CAC | H14 | 109.5° | 109.5° |
| H13 | CAC | H14 | 109.4° | 109.5° |
| H16 | CAM | H17 | 109.4° | 109.5° |
| H20 | CAD | H21 | 109.5° | 109.5° |
| H20 | CAD | H22 | 109.5° | 109.5° |
| H21 | CAD | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAS | CAU | CAI | 1.7° | 0.1° |
| OAG | CAS | CAU | CAV | 179.8° | 179.9° |
| OAG | CAS | CAV | CAM | 0.4° | 0.1° |
| OAG | CAS | CAU | CAQ | 179.3° | 180.0° |
| OAG | CAS | CAV | CAR | 178.7° | 179.7° |
| OAE | CAI | CAU | H19 | 180.0° | 179.9° |
| OAE | CAI | CAU | CAS | 25.9° | 5.3° |
| OAE | CAI | CAU | CAQ | 155.0° | 174.8° |
| CAI | CAU | CAS | CAQ | 179.1° | 180.0° |
| CAI | CAU | CAS | CAV | 178.5° | 180.0° |
| CAI | CAU | CAQ | CAD | 1.2° | 0.0° |
| CAI | CAU | CAQ | CAT | 179.0° | 180.0° |
| CAU | CAS | CAV | CAM | 179.4° | 179.9° |
| CAU | CAS | CAV | CAR | 1.1° | 0.2° |
| CAS | CAU | CAQ | CAD | 179.8° | 180.0° |
| CAS | CAU | CAQ | CAT | 0.1° | 0.0° |
| CAU | CAS | OAG | H18 | 8.5° | 90.0° |
| CAS | CAU | CAI | H19 | 154.1° | 174.8° |
| CAS | CAV | CAM | CAK | 100.0° | 89.7° |
| CAS | CAV | CAM | CAR | 178.2° | 179.7° |
| CAV | CAS | CAU | CAQ | 0.5° | 0.1° |
| CAS | CAV | CAR | CAT | 1.2° | 0.5° |
| CAS | CAV | CAR | OAF | 179.1° | 179.8° |
| CAS | CAV | CAM | H16 | 140.4° | 150.2° |
| CAS | CAV | CAM | H17 | 19.6° | 30.2° |
| CAV | CAS | OAG | H18 | 171.3° | 90.1° |
| CAK | CAM | CAV | H16 | 119.6° | 120.1° |
| CAK | CAM | CAV | H17 | 119.6° | 120.0° |
| CAM | CAK | CAP | H15 | 180.0° | 179.9° |
| CAK | CAM | CAV | CAR | 78.2° | 90.0° |
| CAM | CAK | CAP | CAN | 174.3° | 174.2° |
| CAM | CAK | CAP | CAC | 6.2° | 5.8° |
| CAK | CAM | H16 | H17 | 121.3° | 120.0° |
| CAV | CAM | CAK | CAP | 112.8° | 125.7° |
| CAM | CAV | CAR | CAT | 179.5° | 179.7° |
| CAM | CAV | CAR | OAF | 0.8° | 0.0° |
| CAV | CAM | CAK | H15 | 67.2° | 54.3° |
| CAV | CAM | H16 | H17 | 121.3° | 120.0° |
| CAK | CAP | CAN | CAC | 179.6° | 179.9° |
| CAK | CAP | CAN | CAL | 117.9° | 95.0° |
| CAK | CAP | CAN | H10 | 1.6° | 24.9° |
| CAK | CAP | CAN | H11 | 122.5° | 145.0° |
| CAK | CAP | CAC | H12 | 180.0° | 174.8° |
| CAK | CAP | CAC | H13 | 60.0° | 65.2° |
| CAK | CAP | CAC | H14 | 60.0° | 54.9° |
| CAP | CAK | CAM | H16 | 6.8° | 114.3° |
| CAP | CAK | CAM | H17 | 127.6° | 5.7° |
| CAU | CAQ | CAD | CAT | 179.9° | 180.0° |
| CAU | CAQ | CAT | CAR | 0.2° | 0.3° |
| CAU | CAQ | CAT | CL | 179.5° | 179.9° |
| CAQ | CAU | CAI | H19 | 24.9° | 5.2° |
| CAU | CAQ | CAD | H20 | 89.9° | 94.0° |
| CAU | CAQ | CAD | H21 | 150.0° | 146.0° |
| CAU | CAQ | CAD | H22 | 30.1° | 26.0° |
| CAV | CAR | CAT | CAQ | 0.8° | 0.6° |
| CAV | CAR | CAT | OAF | 179.7° | 179.7° |
| CAV | CAR | CAT | CL | 178.9° | 179.8° |
| CAR | CAV | CAM | H16 | 41.3° | 30.1° |
| CAR | CAV | CAM | H17 | 162.2° | 150.0° |
| CAV | CAR | OAF | H23 | 180.0° | 90.0° |
| CAP | CAN | CAL | H10 | 119.5° | 120.0° |
| CAP | CAN | CAL | H11 | 119.6° | 120.0° |
| CAP | CAN | CAL | CAJ | 172.4° | 180.0° |
| CAP | CAN | CAL | H8 | 67.4° | 60.0° |
| CAP | CAN | CAL | H9 | 52.2° | 60.0° |
| CAP | CAN | H10 | H11 | 121.3° | 120.0° |
| CAN | CAP | CAC | H12 | 0.4° | 5.1° |
| CAN | CAP | CAC | H13 | 119.6° | 114.9° |
| CAN | CAP | CAC | H14 | 120.5° | 125.1° |
| CAN | CAP | CAK | H15 | 5.7° | 5.7° |
| CAC | CAP | CAN | CAL | 62.5° | 85.1° |
| CAC | CAP | CAN | H10 | 177.9° | 155.0° |
| CAC | CAP | CAN | H11 | 57.0° | 34.9° |
| CAP | CAC | H12 | H13 | 120.0° | 120.0° |
| CAP | CAC | H12 | H14 | 120.0° | 120.0° |
| CAP | CAC | H13 | H14 | 120.0° | 120.0° |
| CAC | CAP | CAK | H15 | 173.8° | 174.2° |
| CAN | CAL | CAJ | H8 | 120.2° | 120.0° |
| CAN | CAL | CAJ | H9 | 120.2° | 120.1° |
| CAN | CAL | CAJ | CAO | 163.4° | 125.4° |
| CAN | CAL | CAJ | H7 | 16.6° | 54.6° |
| CAN | CAL | H8 | H9 | 119.4° | 120.1° |
| CAL | CAN | H10 | H11 | 121.3° | 120.0° |
| CAD | CAQ | CAT | CAR | 179.6° | 179.7° |
| CAD | CAQ | CAT | CL | 0.6° | 0.0° |
| CAQ | CAD | H20 | H21 | 120.0° | 120.0° |
| CAQ | CAD | H20 | H22 | 120.0° | 120.0° |
| CAQ | CAD | H21 | H22 | 120.0° | 120.0° |
| CAQ | CAT | CAR | CL | 179.8° | 179.7° |
| CAQ | CAT | CAR | OAF | 179.5° | 179.7° |
| CAT | CAQ | CAD | H20 | 89.9° | 86.0° |
| CAT | CAQ | CAD | H21 | 30.1° | 34.0° |
| CAT | CAQ | CAD | H22 | 150.0° | 154.0° |
| CAT | CAR | OAF | H23 | 0.3° | 89.7° |
| OAF | CAR | CAT | CL | 0.7° | 0.1° |
| CAL | CAJ | CAO | H7 | 180.0° | 180.0° |
| CAL | CAJ | CAO | CAB | 179.9° | 174.4° |
| CAL | CAJ | CAO | CAA | 0.7° | 5.6° |
| CAJ | CAL | H8 | H9 | 119.4° | 120.0° |
| CAJ | CAL | CAN | H10 | 52.9° | 60.0° |
| CAJ | CAL | CAN | H11 | 68.0° | 60.0° |
| CAJ | CAO | CAB | CAA | 179.4° | 180.0° |
| CAJ | CAO | CAA | H1 | 180.0° | 174.9° |
| CAJ | CAO | CAA | H2 | 60.0° | 65.1° |
| CAJ | CAO | CAA | H3 | 60.0° | 54.9° |
| CAJ | CAO | CAB | H4 | 180.0° | 180.0° |
| CAJ | CAO | CAB | H5 | 60.0° | 60.0° |
| CAJ | CAO | CAB | H6 | 60.0° | 60.0° |
| CAO | CAJ | CAL | H8 | 43.1° | 114.6° |
| CAO | CAJ | CAL | H9 | 76.4° | 5.3° |
| CAB | CAO | CAA | H1 | 0.6° | 5.1° |
| CAB | CAO | CAA | H2 | 119.4° | 114.9° |
| CAB | CAO | CAA | H3 | 120.6° | 125.1° |
| CAO | CAB | H4 | H5 | 120.0° | 120.0° |
| CAO | CAB | H4 | H6 | 120.0° | 120.0° |
| CAO | CAB | H5 | H6 | 120.0° | 120.0° |
| CAB | CAO | CAJ | H7 | 0.1° | 5.5° |
| CAO | CAA | H1 | H2 | 120.0° | 120.0° |
| CAO | CAA | H1 | H3 | 120.0° | 120.0° |
| CAO | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAO | CAB | H4 | 0.6° | 0.0° |
| CAA | CAO | CAB | H5 | 120.6° | 120.0° |
| CAA | CAO | CAB | H6 | 119.4° | 120.0° |
| CAA | CAO | CAJ | H7 | 179.3° | 174.4° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAJ | CAL | H8 | 136.9° | 65.4° |
| H7 | CAJ | CAL | H9 | 103.6° | 174.7° |
| H8 | CAL | CAN | H10 | 173.1° | 180.0° |
| H8 | CAL | CAN | H11 | 52.2° | 60.0° |
| H9 | CAL | CAN | H10 | 67.3° | 60.0° |
| H9 | CAL | CAN | H11 | 171.8° | 180.0° |
| H12 | CAC | H13 | H14 | 120.0° | 120.0° |
| H15 | CAK | CAM | H16 | 173.2° | 65.8° |
| H15 | CAK | CAM | H17 | 52.4° | 174.2° |
| H20 | CAD | H21 | H22 | 120.0° | 120.0° |
