9RC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBD | NBB | sing | 1.22Å | 1.63Å | |
| OBC | NBB | doub | 1.22Å | 1.38Å | |
| NBB | CBA | sing | 1.48Å | 1.39Å | |
| CAZ | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CBA | CAY | sing | 1.38Å | 1.43Å | Aromatic |
| CAX | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| OAO | PAP | doub | 1.48Å | 1.60Å | |
| CAY | CAW | doub | 1.38Å | 1.44Å | Aromatic |
| CAV | CAW | sing | 1.39Å | 1.44Å | Aromatic |
| CAV | OAM | sing | 1.36Å | 1.39Å | |
| OAN | PAP | sing | 1.61Å | 1.48Å | |
| PAP | OAM | sing | 1.61Å | 1.56Å | |
| PAP | OAQ | sing | 1.61Å | 1.58Å | |
| OAQ | CAR | sing | 1.43Å | 1.42Å | |
| CAR | CAG | sing | 1.53Å | 1.49Å | |
| OAC | CAG | sing | 1.44Å | 1.44Å | |
| OAC | CAA | sing | 1.44Å | 1.40Å | |
| CAG | CAH | sing | 1.55Å | 1.52Å | |
| CAU | CAT | sing | 1.51Å | 1.41Å | |
| CAF | CAT | doub | 1.35Å | 1.38Å | |
| CAF | NAB | sing | 1.37Å | 1.41Å | |
| CAH | CAD | sing | 1.55Å | 1.48Å | |
| CAH | OAK | sing | 1.43Å | 1.40Å | |
| CAA | NAB | sing | 1.46Å | 1.46Å | |
| CAA | CAD | sing | 1.54Å | 1.51Å | |
| CAT | CAL | sing | 1.42Å | 1.40Å | |
| NAB | CAE | sing | 1.35Å | 1.34Å | |
| CAL | OAS | doub | 1.22Å | 1.24Å | |
| CAL | NAI | sing | 1.35Å | 1.40Å | |
| CAE | NAI | sing | 1.35Å | 1.39Å | |
| CAE | OAJ | doub | 1.22Å | 1.23Å | |
| NAI | H1 | sing | 0.97Å | 1.00Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| OAK | H10 | sing | 0.97Å | 0.95Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| OAN | H14 | sing | 0.97Å | 0.95Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBD | NBB | OBC | 118.6° | 120.0° |
| OBD | NBB | CBA | 122.5° | 120.0° |
| OBC | NBB | CBA | 118.6° | 120.0° |
| NBB | CBA | CAZ | 116.6° | 119.9° |
| NBB | CBA | CAY | 127.3° | 119.9° |
| CBA | CAZ | CAX | 125.3° | 120.0° |
| CAZ | CBA | CAY | 116.1° | 120.2° |
| CBA | CAZ | H17 | 117.3° | 120.0° |
| CAZ | CAX | CAV | 119.2° | 119.9° |
| CAX | CAZ | H17 | 117.4° | 120.0° |
| CAZ | CAX | H18 | 120.4° | 120.0° |
| CBA | CAY | CAW | 120.3° | 120.1° |
| CBA | CAY | H16 | 119.8° | 120.0° |
| CAX | CAV | CAW | 117.9° | 119.9° |
| CAX | CAV | OAM | 123.2° | 120.0° |
| CAV | CAX | H18 | 120.4° | 120.1° |
| OAO | PAP | OAN | 106.5° | 109.5° |
| OAO | PAP | OAM | 120.2° | 109.4° |
| OAO | PAP | OAQ | 103.7° | 109.5° |
| CAY | CAW | CAV | 121.2° | 119.9° |
| CAY | CAW | H15 | 119.4° | 120.1° |
| CAW | CAY | H16 | 119.9° | 120.0° |
| CAW | CAV | OAM | 118.8° | 120.0° |
| CAV | CAW | H15 | 119.4° | 120.0° |
| CAV | OAM | PAP | 141.3° | 114.0° |
| OAN | PAP | OAM | 118.5° | 109.5° |
| OAN | PAP | OAQ | 106.1° | 109.5° |
| PAP | OAN | H14 | 109.5° | 114.0° |
| OAM | PAP | OAQ | 99.5° | 109.5° |
| PAP | OAQ | CAR | 118.7° | 123.0° |
| OAQ | CAR | CAG | 105.8° | 109.4° |
| OAQ | CAR | H12 | 110.4° | 109.4° |
| OAQ | CAR | H13 | 110.4° | 109.5° |
| CAR | CAG | OAC | 105.5° | 110.6° |
| CAR | CAG | CAH | 107.9° | 110.6° |
| CAR | CAG | H11 | 111.4° | 110.7° |
| CAG | CAR | H12 | 110.4° | 109.4° |
| CAG | CAR | H13 | 110.4° | 109.5° |
| CAG | OAC | CAA | 101.4° | 107.0° |
| OAC | CAG | CAH | 108.4° | 103.5° |
| OAC | CAG | H11 | 112.3° | 110.6° |
| OAC | CAA | NAB | 111.6° | 109.9° |
| OAC | CAA | CAD | 104.4° | 107.3° |
| OAC | CAA | H6 | 111.1° | 110.0° |
| CAG | CAH | CAD | 102.7° | 102.1° |
| CAG | CAH | OAK | 111.1° | 110.9° |
| CAG | CAH | H9 | 111.0° | 110.9° |
| CAH | CAG | H11 | 111.0° | 110.6° |
| CAU | CAT | CAF | 119.8° | 120.4° |
| CAU | CAT | CAL | 121.8° | 120.5° |
| CAT | CAU | H2 | 109.5° | 109.5° |
| CAT | CAU | H3 | 109.5° | 109.5° |
| CAT | CAU | H4 | 109.5° | 109.5° |
| CAT | CAF | NAB | 120.2° | 119.7° |
| CAF | CAT | CAL | 118.4° | 119.1° |
| CAT | CAF | H5 | 119.9° | 120.2° |
| CAF | NAB | CAA | 121.9° | 119.7° |
| CAF | NAB | CAE | 121.1° | 120.6° |
| NAB | CAF | H5 | 119.9° | 120.1° |
| CAD | CAH | OAK | 107.1° | 110.9° |
| CAH | CAD | CAA | 100.6° | 104.2° |
| CAH | CAD | H7 | 111.6° | 110.5° |
| CAH | CAD | H8 | 111.6° | 110.6° |
| CAD | CAH | H9 | 111.6° | 110.9° |
| OAK | CAH | H9 | 112.8° | 110.7° |
| CAH | OAK | H10 | 109.5° | 114.0° |
| NAB | CAA | CAD | 109.8° | 109.9° |
| CAA | NAB | CAE | 117.0° | 119.6° |
| NAB | CAA | H6 | 110.2° | 109.8° |
| CAD | CAA | H6 | 109.6° | 109.8° |
| CAA | CAD | H7 | 111.6° | 110.5° |
| CAA | CAD | H8 | 111.6° | 110.5° |
| CAT | CAL | OAS | 122.3° | 120.3° |
| CAT | CAL | NAI | 120.0° | 119.4° |
| NAB | CAE | NAI | 120.0° | 120.9° |
| NAB | CAE | OAJ | 120.8° | 119.6° |
| OAS | CAL | NAI | 117.7° | 120.3° |
| CAL | NAI | CAE | 120.3° | 120.2° |
| CAL | NAI | H1 | 119.8° | 119.9° |
| NAI | CAE | OAJ | 119.3° | 119.5° |
| CAE | NAI | H1 | 119.9° | 119.8° |
| H2 | CAU | H3 | 109.5° | 109.4° |
| H2 | CAU | H4 | 109.4° | 109.4° |
| H3 | CAU | H4 | 109.5° | 109.5° |
| H7 | CAD | H8 | 109.5° | 110.4° |
| H12 | CAR | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBD | NBB | OBC | CBA | 173.5° | 180.0° |
| OBD | NBB | CBA | CAZ | 44.9° | 180.0° |
| OBD | NBB | CBA | CAY | 136.1° | 0.1° |
| OBC | NBB | CBA | CAZ | 128.3° | 0.0° |
| OBC | NBB | CBA | CAY | 50.7° | 180.0° |
| NBB | CBA | CAZ | CAY | 179.1° | 179.9° |
| NBB | CBA | CAZ | CAX | 178.9° | 179.7° |
| NBB | CBA | CAY | CAW | 179.7° | 180.0° |
| NBB | CBA | CAY | H16 | 0.3° | 0.1° |
| NBB | CBA | CAZ | H17 | 1.1° | 0.1° |
| CBA | CAZ | CAX | H17 | 180.0° | 179.8° |
| CBA | CAZ | CAX | CAV | 0.5° | 0.5° |
| CAZ | CBA | CAY | CAW | 0.7° | 0.1° |
| CAZ | CBA | CAY | H16 | 179.3° | 180.0° |
| CBA | CAZ | CAX | H18 | 179.4° | 180.0° |
| CAX | CAZ | CBA | CAY | 0.2° | 0.2° |
| CAZ | CAX | CAV | H18 | 180.0° | 179.5° |
| CAZ | CAX | CAV | CAW | 0.0° | 0.5° |
| CAZ | CAX | CAV | OAM | 178.2° | 179.8° |
| CBA | CAY | CAW | H16 | 180.0° | 179.9° |
| CBA | CAY | CAW | CAV | 1.3° | 0.1° |
| CBA | CAY | CAW | H15 | 178.7° | 179.9° |
| CAY | CBA | CAZ | H17 | 179.8° | 180.0° |
| CAX | CAV | CAW | CAY | 0.9° | 0.2° |
| CAX | CAV | CAW | OAM | 178.3° | 179.8° |
| CAX | CAV | OAM | PAP | 0.1° | 90.2° |
| CAX | CAV | CAW | H15 | 179.1° | 179.8° |
| CAV | CAX | CAZ | H17 | 179.5° | 179.7° |
| OAO | PAP | OAM | CAV | 70.7° | 55.0° |
| OAO | PAP | OAN | OAM | 139.4° | 120.0° |
| OAO | PAP | OAN | OAQ | 110.0° | 120.0° |
| OAO | PAP | OAM | OAQ | 112.0° | 120.0° |
| OAO | PAP | OAQ | CAR | 170.8° | 55.0° |
| OAO | PAP | OAN | H14 | 0.0° | 180.0° |
| CAY | CAW | CAV | H15 | 180.0° | 180.0° |
| CAY | CAW | CAV | OAM | 177.4° | 180.0° |
| CAW | CAV | OAM | PAP | 178.3° | 90.0° |
| CAV | CAW | CAY | H16 | 178.7° | 180.0° |
| CAW | CAV | CAX | H18 | 180.0° | 180.0° |
| CAV | OAM | PAP | OAN | 63.0° | 65.0° |
| CAV | OAM | PAP | OAQ | 177.3° | 175.0° |
| OAM | CAV | CAW | H15 | 2.6° | 0.0° |
| OAM | CAV | CAX | H18 | 1.8° | 0.2° |
| OAN | PAP | OAM | OAQ | 114.3° | 120.0° |
| OAN | PAP | OAQ | CAR | 77.2° | 65.0° |
| OAM | PAP | OAQ | CAR | 46.4° | 175.0° |
| OAM | PAP | OAN | H14 | 139.4° | 60.1° |
| PAP | OAQ | CAR | CAG | 178.2° | 180.0° |
| PAP | OAQ | CAR | H12 | 58.8° | 60.0° |
| PAP | OAQ | CAR | H13 | 62.4° | 60.0° |
| OAQ | PAP | OAN | H14 | 110.0° | 60.0° |
| OAQ | CAR | CAG | H12 | 119.4° | 119.9° |
| OAQ | CAR | CAG | H13 | 119.4° | 120.0° |
| OAQ | CAR | CAG | OAC | 56.4° | 66.5° |
| OAQ | CAR | CAG | CAH | 172.2° | 179.5° |
| OAQ | CAR | CAG | H11 | 65.7° | 56.5° |
| OAQ | CAR | H12 | H13 | 121.7° | 120.0° |
| CAR | CAG | OAC | CAH | 115.4° | 118.5° |
| CAR | CAG | OAC | H11 | 121.6° | 123.0° |
| CAR | CAG | OAC | CAA | 142.5° | 158.5° |
| CAR | CAG | CAH | H11 | 122.4° | 123.1° |
| CAR | CAG | CAH | CAD | 112.5° | 155.5° |
| CAR | CAG | CAH | OAK | 133.3° | 86.3° |
| CAR | CAG | CAH | H9 | 6.9° | 37.2° |
| CAG | CAR | H12 | H13 | 121.7° | 120.0° |
| OAC | CAG | CAH | H11 | 123.8° | 118.5° |
| OAC | CAG | CAH | CAD | 1.3° | 37.0° |
| OAC | CAG | CAH | OAK | 112.9° | 155.3° |
| CAG | OAC | CAA | NAB | 163.8° | 146.0° |
| CAG | OAC | CAA | CAD | 45.2° | 26.5° |
| CAG | OAC | CAA | H6 | 72.9° | 93.0° |
| OAC | CAG | CAH | H9 | 120.7° | 81.2° |
| OAC | CAG | CAR | H12 | 63.0° | 173.6° |
| OAC | CAG | CAR | H13 | 175.8° | 53.5° |
| CAA | OAC | CAG | CAH | 27.1° | 40.0° |
| OAC | CAA | NAB | CAF | 71.9° | 127.1° |
| OAC | CAA | CAD | CAH | 46.4° | 2.0° |
| OAC | CAA | NAB | CAD | 115.3° | 117.9° |
| OAC | CAA | NAB | H6 | 123.9° | 121.2° |
| OAC | CAA | CAD | H6 | 119.0° | 119.6° |
| OAC | CAA | NAB | CAE | 109.0° | 52.4° |
| OAC | CAA | CAD | H7 | 72.1° | 120.7° |
| OAC | CAA | CAD | H8 | 164.9° | 116.8° |
| CAA | OAC | CAG | H11 | 95.9° | 78.5° |
| CAG | CAH | CAD | OAK | 117.1° | 118.2° |
| CAG | CAH | CAD | H9 | 119.0° | 118.3° |
| CAG | CAH | OAK | H9 | 125.3° | 123.6° |
| CAG | CAH | CAD | CAA | 27.0° | 20.9° |
| CAG | CAH | CAD | H7 | 91.5° | 97.8° |
| CAG | CAH | CAD | H8 | 145.6° | 139.6° |
| CAG | CAH | OAK | H10 | 180.0° | 174.2° |
| CAH | CAG | CAR | H12 | 52.8° | 59.5° |
| CAH | CAG | CAR | H13 | 68.4° | 60.5° |
| CAU | CAT | CAF | CAL | 179.3° | 180.0° |
| CAU | CAT | CAF | NAB | 179.6° | 179.7° |
| CAU | CAT | CAL | OAS | 0.1° | 0.0° |
| CAU | CAT | CAL | NAI | 179.2° | 179.9° |
| CAT | CAU | H2 | H3 | 120.0° | 120.0° |
| CAT | CAU | H2 | H4 | 120.0° | 120.0° |
| CAT | CAU | H3 | H4 | 120.0° | 120.1° |
| CAU | CAT | CAF | H5 | 0.4° | 0.0° |
| CAT | CAF | NAB | H5 | 180.0° | 179.8° |
| CAT | CAF | NAB | CAA | 179.3° | 180.0° |
| CAT | CAF | NAB | CAE | 0.2° | 0.5° |
| CAF | CAT | CAL | OAS | 179.2° | 180.0° |
| CAF | CAT | CAL | NAI | 1.4° | 0.0° |
| CAF | CAT | CAU | H2 | 180.0° | 180.0° |
| CAF | CAT | CAU | H3 | 60.0° | 60.0° |
| CAF | CAT | CAU | H4 | 60.0° | 60.1° |
| CAF | NAB | CAA | CAE | 179.1° | 179.5° |
| CAF | NAB | CAA | CAD | 43.4° | 115.0° |
| NAB | CAF | CAT | CAL | 1.1° | 0.2° |
| CAF | NAB | CAE | NAI | 0.4° | 0.6° |
| CAF | NAB | CAE | OAJ | 179.3° | 179.8° |
| CAF | NAB | CAA | H6 | 164.2° | 6.0° |
| CAD | CAH | OAK | H9 | 123.2° | 123.6° |
| CAH | CAD | CAA | NAB | 166.2° | 121.5° |
| CAH | CAD | CAA | H7 | 118.5° | 118.6° |
| CAH | CAD | CAA | H8 | 118.5° | 118.9° |
| CAH | CAD | CAA | H6 | 72.6° | 117.5° |
| CAH | CAD | H7 | H8 | 124.2° | 122.7° |
| CAD | CAH | OAK | H10 | 68.6° | 61.4° |
| CAD | CAH | CAG | H11 | 125.1° | 81.5° |
| OAK | CAH | CAD | CAA | 90.0° | 139.1° |
| OAK | CAH | CAD | H7 | 151.4° | 20.4° |
| OAK | CAH | CAD | H8 | 28.5° | 102.1° |
| OAK | CAH | CAG | H11 | 10.9° | 36.8° |
| NAB | CAA | CAD | H6 | 121.2° | 121.0° |
| CAA | NAB | CAE | NAI | 178.7° | 180.0° |
| CAA | NAB | CAE | OAJ | 1.6° | 0.3° |
| CAA | NAB | CAF | H5 | 0.7° | 0.2° |
| NAB | CAA | CAD | H7 | 47.6° | 119.9° |
| NAB | CAA | CAD | H8 | 75.3° | 2.6° |
| CAD | CAA | NAB | CAE | 135.7° | 65.5° |
| CAA | CAD | H7 | H8 | 124.1° | 122.5° |
| CAA | CAD | CAH | H9 | 146.0° | 97.4° |
| CAT | CAL | OAS | NAI | 179.3° | 179.9° |
| CAT | CAL | NAI | CAE | 0.8° | 0.1° |
| CAT | CAL | NAI | H1 | 179.2° | 180.0° |
| CAL | CAT | CAU | H2 | 0.7° | 0.0° |
| CAL | CAT | CAU | H3 | 120.7° | 120.0° |
| CAL | CAT | CAU | H4 | 119.3° | 120.0° |
| CAL | CAT | CAF | H5 | 178.9° | 180.0° |
| NAB | CAE | NAI | CAL | 0.1° | 0.3° |
| NAB | CAE | NAI | OAJ | 179.7° | 179.7° |
| NAB | CAE | NAI | H1 | 179.9° | 179.7° |
| CAE | NAB | CAF | H5 | 179.8° | 179.7° |
| CAE | NAB | CAA | H6 | 14.9° | 173.5° |
| OAS | CAL | NAI | CAE | 179.8° | 180.0° |
| OAS | CAL | NAI | H1 | 0.2° | 0.1° |
| CAL | NAI | CAE | H1 | 180.0° | 179.9° |
| CAL | NAI | CAE | OAJ | 179.6° | 180.0° |
| OAJ | CAE | NAI | H1 | 0.4° | 0.0° |
| H2 | CAU | H3 | H4 | 119.9° | 119.9° |
| H6 | CAA | CAD | H7 | 168.8° | 1.1° |
| H6 | CAA | CAD | H8 | 45.9° | 123.6° |
| H7 | CAD | CAH | H9 | 27.5° | 144.0° |
| H8 | CAD | CAH | H9 | 95.5° | 21.4° |
| H9 | CAH | OAK | H10 | 54.7° | 62.2° |
| H9 | CAH | CAG | H11 | 115.5° | 160.3° |
| H11 | CAG | CAR | H12 | 174.9° | 63.5° |
| H11 | CAG | CAR | H13 | 53.7° | 176.5° |
| H15 | CAW | CAY | H16 | 1.3° | 0.0° |
| H17 | CAZ | CAX | H18 | 0.5° | 0.2° |
