9L5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | CAU | doub | 1.22Å | 1.23Å | |
| CAA | CAL | sing | 1.53Å | 1.53Å | |
| CAB | CAR | sing | 1.51Å | 1.38Å | |
| CAU | CAR | sing | 1.47Å | 1.39Å | |
| CAU | NAZ | sing | 1.35Å | 1.35Å | |
| CAL | NAZ | sing | 1.47Å | 1.47Å | |
| CAR | NAN | doub | 1.30Å | 1.34Å | |
| NAZ | CAW | sing | 1.38Å | 1.35Å | |
| NAN | CAV | sing | 1.35Å | 1.34Å | |
| CAW | CAV | doub | 1.41Å | 1.39Å | Aromatic |
| CAW | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAV | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAK | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.48Å | 1.39Å | |
| CAP | OAF | doub | 1.21Å | 1.23Å | |
| CAP | NAO | sing | 1.35Å | 1.34Å | |
| NAO | CAX | sing | 1.46Å | 1.48Å | |
| CAD | CAX | sing | 1.53Å | 1.53Å | |
| CAX | CAT | sing | 1.51Å | 1.54Å | |
| CAT | CAS | doub | 1.35Å | 1.32Å | Aromatic |
| CAT | CAJ | sing | 1.40Å | 1.33Å | Aromatic |
| CAC | CAS | sing | 1.51Å | 1.53Å | |
| CAS | NAY | sing | 1.35Å | 1.33Å | Aromatic |
| CAJ | NAM | doub | 1.31Å | 1.34Å | Aromatic |
| NAY | NAM | sing | 1.40Å | 1.26Å | Aromatic |
| NAY | CAE | sing | 1.46Å | 1.48Å | |
| 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 | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAE | H13 | sing | 1.09Å | 1.10Å | |
| CAE | H14 | sing | 1.09Å | 1.10Å | |
| CAE | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAJ | H18 | sing | 1.08Å | 1.08Å | |
| CAK | H19 | sing | 1.08Å | 1.08Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAX | H22 | sing | 1.09Å | 1.10Å | |
| NAO | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | CAU | CAR | 120.9° | 120.5° |
| OAG | CAU | NAZ | 120.1° | 120.3° |
| CAA | CAL | NAZ | 110.1° | 109.4° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.4° |
| CAL | CAA | H3 | 109.5° | 109.4° |
| CAA | CAL | H20 | 109.3° | 109.5° |
| CAA | CAL | H21 | 109.3° | 109.5° |
| CAB | CAR | CAU | 120.4° | 119.8° |
| CAB | CAR | NAN | 119.0° | 120.0° |
| CAR | CAB | H4 | 109.5° | 109.4° |
| CAR | CAB | H5 | 109.5° | 109.5° |
| CAR | CAB | H6 | 109.5° | 109.5° |
| CAR | CAU | NAZ | 119.1° | 119.2° |
| CAU | CAR | NAN | 120.6° | 120.2° |
| CAU | NAZ | CAL | 119.2° | 120.5° |
| CAU | NAZ | CAW | 120.7° | 119.0° |
| CAL | NAZ | CAW | 120.2° | 120.5° |
| NAZ | CAL | H20 | 109.3° | 109.5° |
| NAZ | CAL | H21 | 109.3° | 109.4° |
| CAR | NAN | CAV | 120.0° | 121.0° |
| NAZ | CAW | CAV | 119.1° | 119.9° |
| NAZ | CAW | CAI | 122.0° | 120.1° |
| NAN | CAV | CAW | 120.6° | 120.6° |
| NAN | CAV | CAK | 118.8° | 120.0° |
| CAV | CAW | CAI | 118.9° | 120.0° |
| CAW | CAV | CAK | 120.7° | 119.4° |
| CAW | CAI | CAH | 120.5° | 120.3° |
| CAW | CAI | H17 | 119.7° | 119.8° |
| CAV | CAK | CAQ | 120.6° | 119.6° |
| CAV | CAK | H19 | 119.7° | 120.2° |
| CAI | CAH | CAQ | 119.8° | 120.6° |
| CAI | CAH | H16 | 120.1° | 119.7° |
| CAH | CAI | H17 | 119.8° | 119.9° |
| CAK | CAQ | CAH | 119.6° | 120.2° |
| CAK | CAQ | CAP | 116.5° | 119.9° |
| CAQ | CAK | H19 | 119.7° | 120.2° |
| CAH | CAQ | CAP | 123.9° | 119.9° |
| CAQ | CAH | H16 | 120.1° | 119.7° |
| CAQ | CAP | OAF | 119.5° | 120.0° |
| CAQ | CAP | NAO | 116.3° | 120.0° |
| OAF | CAP | NAO | 124.1° | 120.1° |
| CAP | NAO | CAX | 123.5° | 119.9° |
| CAP | NAO | H23 | 118.3° | 120.0° |
| NAO | CAX | CAD | 108.9° | 109.4° |
| NAO | CAX | CAT | 113.4° | 109.5° |
| NAO | CAX | H22 | 109.1° | 109.5° |
| CAX | NAO | H23 | 118.3° | 120.0° |
| CAD | CAX | CAT | 108.5° | 109.4° |
| CAX | CAD | H10 | 109.5° | 109.4° |
| CAX | CAD | H11 | 109.5° | 109.4° |
| CAX | CAD | H12 | 109.5° | 109.5° |
| CAD | CAX | H22 | 108.4° | 109.5° |
| CAX | CAT | CAS | 127.3° | 126.0° |
| CAX | CAT | CAJ | 125.5° | 126.1° |
| CAT | CAX | H22 | 108.4° | 109.5° |
| CAS | CAT | CAJ | 107.2° | 107.9° |
| CAT | CAS | CAC | 126.1° | 126.1° |
| CAT | CAS | NAY | 108.1° | 107.8° |
| CAT | CAJ | NAM | 106.4° | 108.2° |
| CAT | CAJ | H18 | 126.8° | 125.9° |
| CAC | CAS | NAY | 125.8° | 126.1° |
| CAS | CAC | H7 | 109.5° | 109.5° |
| CAS | CAC | H8 | 109.5° | 109.5° |
| CAS | CAC | H9 | 109.4° | 109.5° |
| CAS | NAY | NAM | 108.2° | 107.9° |
| CAS | NAY | CAE | 126.1° | 126.1° |
| CAJ | NAM | NAY | 110.1° | 108.2° |
| NAM | CAJ | H18 | 126.8° | 125.9° |
| NAM | NAY | CAE | 125.7° | 126.0° |
| NAY | CAE | H13 | 109.5° | 109.5° |
| NAY | CAE | H14 | 109.5° | 109.5° |
| NAY | CAE | H15 | 109.5° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.4° | 109.5° |
| H4 | CAB | H6 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.4° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H10 | CAD | H11 | 109.5° | 109.5° |
| H10 | CAD | H12 | 109.5° | 109.5° |
| H11 | CAD | H12 | 109.5° | 109.5° |
| H13 | CAE | H14 | 109.5° | 109.5° |
| H13 | CAE | H15 | 109.4° | 109.5° |
| H14 | CAE | H15 | 109.5° | 109.5° |
| H20 | CAL | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | CAU | CAR | CAB | 0.1° | 0.6° |
| OAG | CAU | CAR | NAZ | 180.0° | 180.0° |
| OAG | CAU | NAZ | CAL | 0.2° | 0.0° |
| OAG | CAU | CAR | NAN | 179.9° | 179.5° |
| OAG | CAU | NAZ | CAW | 179.8° | 179.9° |
| CAA | CAL | NAZ | CAU | 91.5° | 90.0° |
| CAA | CAL | NAZ | H20 | 120.1° | 120.0° |
| CAA | CAL | NAZ | H21 | 120.1° | 119.9° |
| CAA | CAL | NAZ | CAW | 88.5° | 90.1° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 119.9° |
| CAA | CAL | H20 | H21 | 119.7° | 120.0° |
| CAB | CAR | CAU | NAN | 179.8° | 178.8° |
| CAB | CAR | CAU | NAZ | 179.9° | 179.4° |
| CAB | CAR | NAN | CAV | 180.0° | 180.0° |
| CAR | CAB | H4 | H5 | 120.0° | 120.0° |
| CAR | CAB | H4 | H6 | 120.0° | 119.9° |
| CAR | CAB | H5 | H6 | 120.0° | 120.0° |
| CAR | CAU | NAZ | CAL | 179.9° | 179.9° |
| CAR | CAU | NAZ | CAW | 0.2° | 0.1° |
| CAU | CAR | NAN | CAV | 0.2° | 1.2° |
| CAU | CAR | CAB | H4 | 179.8° | 178.9° |
| CAU | CAR | CAB | H5 | 60.2° | 58.9° |
| CAU | CAR | CAB | H6 | 59.8° | 61.2° |
| CAU | NAZ | CAL | CAW | 180.0° | 179.9° |
| NAZ | CAU | CAR | NAN | 0.1° | 0.5° |
| CAU | NAZ | CAW | CAV | 0.4° | 0.1° |
| CAU | NAZ | CAW | CAI | 179.9° | 179.7° |
| CAU | NAZ | CAL | H20 | 28.5° | 29.9° |
| CAU | NAZ | CAL | H21 | 148.4° | 150.0° |
| CAL | NAZ | CAW | CAV | 179.7° | 179.9° |
| CAL | NAZ | CAW | CAI | 0.1° | 0.2° |
| NAZ | CAL | CAA | H1 | 180.0° | 60.0° |
| NAZ | CAL | CAA | H2 | 60.0° | 60.0° |
| NAZ | CAL | CAA | H3 | 60.0° | 180.0° |
| NAZ | CAL | H20 | H21 | 119.8° | 120.0° |
| CAR | NAN | CAV | CAW | 0.4° | 1.2° |
| CAR | NAN | CAV | CAK | 179.9° | 179.4° |
| NAN | CAR | CAB | H4 | 0.0° | 0.1° |
| NAN | CAR | CAB | H5 | 120.0° | 120.0° |
| NAN | CAR | CAB | H6 | 120.0° | 120.0° |
| NAZ | CAW | CAV | NAN | 0.5° | 0.5° |
| NAZ | CAW | CAV | CAI | 179.6° | 179.8° |
| NAZ | CAW | CAV | CAK | 180.0° | 180.0° |
| NAZ | CAW | CAI | CAH | 179.7° | 179.8° |
| NAZ | CAW | CAI | H17 | 0.3° | 0.3° |
| CAW | NAZ | CAL | H20 | 151.4° | 149.9° |
| CAW | NAZ | CAL | H21 | 31.6° | 29.9° |
| NAN | CAV | CAW | CAK | 179.5° | 179.4° |
| NAN | CAV | CAW | CAI | 179.9° | 179.7° |
| NAN | CAV | CAK | CAQ | 179.7° | 180.0° |
| NAN | CAV | CAK | H19 | 0.3° | 0.6° |
| CAV | CAW | CAI | CAH | 0.1° | 0.0° |
| CAW | CAV | CAK | CAQ | 0.2° | 0.5° |
| CAV | CAW | CAI | H17 | 179.9° | 180.0° |
| CAW | CAV | CAK | H19 | 179.8° | 180.0° |
| CAI | CAW | CAV | CAK | 0.4° | 0.3° |
| CAW | CAI | CAH | H17 | 180.0° | 180.0° |
| CAW | CAI | CAH | CAQ | 0.3° | 0.0° |
| CAW | CAI | CAH | H16 | 179.7° | 179.8° |
| CAV | CAK | CAQ | H19 | 180.0° | 179.5° |
| CAV | CAK | CAQ | CAH | 0.3° | 0.5° |
| CAV | CAK | CAQ | CAP | 179.2° | 179.5° |
| CAI | CAH | CAQ | CAK | 0.6° | 0.3° |
| CAI | CAH | CAQ | H16 | 180.0° | 179.7° |
| CAI | CAH | CAQ | CAP | 179.4° | 179.7° |
| CAK | CAQ | CAH | CAP | 178.8° | 180.0° |
| CAK | CAQ | CAP | OAF | 16.7° | 0.0° |
| CAK | CAQ | CAP | NAO | 159.2° | 179.9° |
| CAK | CAQ | CAH | H16 | 179.4° | 180.0° |
| CAH | CAQ | CAP | OAF | 164.4° | 180.0° |
| CAH | CAQ | CAP | NAO | 19.7° | 0.1° |
| CAQ | CAH | CAI | H17 | 179.6° | 180.0° |
| CAH | CAQ | CAK | H19 | 179.7° | 180.0° |
| CAQ | CAP | OAF | NAO | 175.6° | 179.9° |
| CAQ | CAP | NAO | CAX | 176.5° | 180.0° |
| CAP | CAQ | CAH | H16 | 0.6° | 0.0° |
| CAP | CAQ | CAK | H19 | 0.8° | 0.0° |
| CAQ | CAP | NAO | H23 | 3.5° | 0.1° |
| OAF | CAP | NAO | CAX | 0.8° | 0.1° |
| OAF | CAP | NAO | H23 | 179.2° | 180.0° |
| CAP | NAO | CAX | H23 | 180.0° | 179.9° |
| CAP | NAO | CAX | CAD | 73.2° | 85.1° |
| CAP | NAO | CAX | CAT | 47.7° | 155.0° |
| CAP | NAO | CAX | H22 | 168.6° | 34.9° |
| NAO | CAX | CAD | CAT | 123.9° | 119.9° |
| NAO | CAX | CAD | H22 | 118.6° | 120.1° |
| NAO | CAX | CAT | H22 | 121.3° | 120.1° |
| NAO | CAX | CAT | CAS | 60.5° | 160.0° |
| NAO | CAX | CAT | CAJ | 120.3° | 19.9° |
| NAO | CAX | CAD | H10 | 180.0° | 180.0° |
| NAO | CAX | CAD | H11 | 60.0° | 60.1° |
| NAO | CAX | CAD | H12 | 60.0° | 60.0° |
| CAD | CAX | CAT | H22 | 117.6° | 120.0° |
| CAD | CAX | CAT | CAS | 178.4° | 80.0° |
| CAD | CAX | CAT | CAJ | 0.8° | 100.0° |
| CAX | CAD | H10 | H11 | 120.0° | 119.9° |
| CAX | CAD | H10 | H12 | 120.0° | 120.0° |
| CAX | CAD | H11 | H12 | 120.0° | 120.0° |
| CAD | CAX | NAO | H23 | 106.8° | 95.0° |
| CAX | CAT | CAS | CAJ | 179.3° | 179.9° |
| CAX | CAT | CAS | CAC | 0.7° | 0.1° |
| CAX | CAT | CAS | NAY | 179.6° | 179.7° |
| CAX | CAT | CAJ | NAM | 179.6° | 179.9° |
| CAT | CAX | CAD | H10 | 56.2° | 60.0° |
| CAT | CAX | CAD | H11 | 176.2° | 180.0° |
| CAT | CAX | CAD | H12 | 63.9° | 60.0° |
| CAX | CAT | CAJ | H18 | 0.4° | 0.4° |
| CAT | CAX | NAO | H23 | 132.3° | 24.9° |
| CAT | CAS | CAC | NAY | 179.7° | 179.5° |
| CAS | CAT | CAJ | NAM | 0.3° | 0.0° |
| CAT | CAS | NAY | NAM | 0.2° | 0.5° |
| CAT | CAS | NAY | CAE | 179.8° | 180.0° |
| CAT | CAS | CAC | H7 | 90.2° | 89.5° |
| CAT | CAS | CAC | H8 | 149.8° | 30.5° |
| CAT | CAS | CAC | H9 | 29.8° | 150.5° |
| CAS | CAT | CAJ | H18 | 179.7° | 179.7° |
| CAS | CAT | CAX | H22 | 60.8° | 39.9° |
| CAJ | CAT | CAS | CAC | 180.0° | 179.8° |
| CAJ | CAT | CAS | NAY | 0.3° | 0.3° |
| CAT | CAJ | NAM | H18 | 180.0° | 179.7° |
| CAT | CAJ | NAM | NAY | 0.2° | 0.3° |
| CAJ | CAT | CAX | H22 | 118.4° | 140.0° |
| CAC | CAS | NAY | NAM | 179.9° | 180.0° |
| CAC | CAS | NAY | CAE | 0.1° | 0.4° |
| CAS | CAC | H7 | H8 | 120.0° | 120.1° |
| CAS | CAC | H7 | H9 | 120.0° | 120.0° |
| CAS | CAC | H8 | H9 | 120.0° | 120.0° |
| CAS | NAY | NAM | CAJ | 0.0° | 0.5° |
| CAS | NAY | NAM | CAE | 180.0° | 179.6° |
| NAY | CAS | CAC | H7 | 90.2° | 90.0° |
| NAY | CAS | CAC | H8 | 29.8° | 150.0° |
| NAY | CAS | CAC | H9 | 149.8° | 30.0° |
| CAS | NAY | CAE | H13 | 180.0° | 90.0° |
| CAS | NAY | CAE | H14 | 60.0° | 150.0° |
| CAS | NAY | CAE | H15 | 60.0° | 30.0° |
| CAJ | NAM | NAY | CAE | 180.0° | 180.0° |
| NAM | NAY | CAE | H13 | 0.0° | 89.5° |
| NAM | NAY | CAE | H14 | 120.0° | 30.5° |
| NAM | NAY | CAE | H15 | 120.0° | 150.5° |
| NAY | NAM | CAJ | H18 | 179.8° | 180.0° |
| NAY | CAE | H13 | H14 | 120.0° | 120.0° |
| NAY | CAE | H13 | H15 | 120.0° | 120.0° |
| NAY | CAE | H14 | H15 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H1 | CAA | CAL | H20 | 59.9° | 60.0° |
| H1 | CAA | CAL | H21 | 59.9° | 179.9° |
| H2 | CAA | CAL | H20 | 60.1° | 180.0° |
| H2 | CAA | CAL | H21 | 179.9° | 59.9° |
| H3 | CAA | CAL | H20 | 179.9° | 60.0° |
| H3 | CAA | CAL | H21 | 60.1° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 119.9° |
| H10 | CAD | H11 | H12 | 120.0° | 120.0° |
| H10 | CAD | CAX | H22 | 61.4° | 59.9° |
| H11 | CAD | CAX | H22 | 58.6° | 60.0° |
| H12 | CAD | CAX | H22 | 178.6° | 179.9° |
| H13 | CAE | H14 | H15 | 120.0° | 120.0° |
| H16 | CAH | CAI | H17 | 0.4° | 0.3° |
| H22 | CAX | NAO | H23 | 11.4° | 144.9° |
