7B7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAT | sing | 1.43Å | 1.47Å | |
| OAT | CAY | sing | 1.36Å | 1.38Å | |
| CAG | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.39Å | 1.37Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CBA | sing | 1.51Å | 1.46Å | |
| CAZ | CAH | doub | 1.38Å | 1.42Å | Aromatic |
| CBA | CAP | sing | 1.54Å | 1.58Å | |
| CBA | NBB | sing | 1.47Å | 1.53Å | |
| CAP | CAM | sing | 1.55Å | 1.50Å | |
| OAC | CAU | doub | 1.22Å | 1.23Å | |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CA | N | sing | 1.46Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CAU | N | sing | 1.35Å | 1.34Å | |
| CAU | NAS | sing | 1.35Å | 1.35Å | |
| NAS | CAO | sing | 1.47Å | 1.43Å | |
| CAO | CAX | sing | 1.51Å | 1.46Å | |
| NBB | C | sing | 1.35Å | 1.35Å | |
| NBB | CAQ | sing | 1.47Å | 1.47Å | |
| CAM | CAQ | sing | 1.55Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CAX | CAK | doub | 1.38Å | 1.37Å | Aromatic |
| CAX | CAL | sing | 1.38Å | 1.42Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAW | doub | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAW | NAB | sing | 1.40Å | 1.37Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CBA | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CA | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| NAS | H18 | sing | 0.97Å | 1.00Å | |
| CAO | H19 | sing | 1.09Å | 1.10Å | |
| CAO | H20 | sing | 1.09Å | 1.10Å | |
| CAK | H21 | sing | 1.08Å | 1.08Å | |
| CAI | H22 | sing | 1.08Å | 1.08Å | |
| NAB | H23 | sing | 0.97Å | 1.00Å | |
| NAB | H24 | sing | 0.97Å | 1.00Å | |
| CAJ | H25 | sing | 1.08Å | 1.08Å | |
| CAL | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAT | CAY | 119.1° | 117.0° |
| OAT | CAA | H1 | 109.5° | 109.4° |
| OAT | CAA | H2 | 109.5° | 109.5° |
| OAT | CAA | H3 | 109.5° | 109.6° |
| OAT | CAY | CAG | 121.3° | 120.1° |
| OAT | CAY | CAZ | 116.1° | 120.0° |
| CAY | CAG | CAE | 118.1° | 120.0° |
| CAG | CAY | CAZ | 122.5° | 119.9° |
| CAY | CAG | H4 | 120.9° | 120.0° |
| CAG | CAE | CAF | 121.9° | 120.1° |
| CAE | CAG | H4 | 120.9° | 120.1° |
| CAG | CAE | H5 | 119.0° | 120.0° |
| CAY | CAZ | CBA | 117.3° | 120.0° |
| CAY | CAZ | CAH | 118.1° | 120.0° |
| CAE | CAF | CAH | 118.1° | 120.1° |
| CAF | CAE | H5 | 119.0° | 120.0° |
| CAE | CAF | H6 | 121.0° | 120.0° |
| CBA | CAZ | CAH | 124.6° | 120.0° |
| CAZ | CBA | CAP | 114.1° | 109.9° |
| CAZ | CBA | NBB | 111.1° | 109.9° |
| CAZ | CBA | H8 | 111.4° | 109.9° |
| CAZ | CAH | CAF | 121.2° | 120.0° |
| CAZ | CAH | H7 | 119.4° | 120.0° |
| CAP | CBA | NBB | 99.8° | 107.3° |
| CBA | CAP | CAM | 101.5° | 103.0° |
| CAP | CBA | H8 | 109.6° | 109.9° |
| CBA | CAP | H9 | 111.4° | 110.7° |
| CBA | CAP | H10 | 111.4° | 110.7° |
| CBA | NBB | C | 125.3° | 125.6° |
| CBA | NBB | CAQ | 111.8° | 108.7° |
| NBB | CBA | H8 | 110.3° | 110.0° |
| CAP | CAM | CAQ | 103.7° | 101.6° |
| CAM | CAP | H9 | 111.4° | 110.7° |
| CAM | CAP | H10 | 111.4° | 110.7° |
| CAP | CAM | H11 | 110.9° | 111.0° |
| CAP | CAM | H12 | 110.9° | 111.0° |
| OAC | CAU | N | 123.8° | 120.0° |
| OAC | CAU | NAS | 121.5° | 120.0° |
| CAH | CAF | H6 | 120.9° | 119.9° |
| CAF | CAH | H7 | 119.4° | 120.0° |
| N | CA | C | 111.0° | 109.5° |
| CA | N | CAU | 118.6° | 120.0° |
| N | CA | H15 | 109.1° | 109.5° |
| N | CA | H16 | 109.1° | 109.5° |
| CA | N | H17 | 120.7° | 120.0° |
| CA | C | NBB | 116.5° | 120.0° |
| CA | C | O | 123.3° | 120.0° |
| C | CA | H15 | 109.1° | 109.5° |
| C | CA | H16 | 109.1° | 109.4° |
| N | CAU | NAS | 114.6° | 120.0° |
| CAU | N | H17 | 120.7° | 120.0° |
| CAU | NAS | CAO | 126.8° | 120.0° |
| CAU | NAS | H18 | 116.6° | 120.0° |
| NAS | CAO | CAX | 110.0° | 109.5° |
| CAO | NAS | H18 | 116.6° | 120.0° |
| NAS | CAO | H19 | 109.3° | 109.5° |
| NAS | CAO | H20 | 109.3° | 109.4° |
| CAO | CAX | CAK | 121.4° | 120.0° |
| CAO | CAX | CAL | 121.7° | 119.9° |
| CAX | CAO | H19 | 109.3° | 109.5° |
| CAX | CAO | H20 | 109.4° | 109.5° |
| C | NBB | CAQ | 122.3° | 125.7° |
| NBB | C | O | 120.1° | 120.0° |
| NBB | CAQ | CAM | 102.0° | 104.8° |
| NBB | CAQ | H13 | 111.3° | 110.4° |
| NBB | CAQ | H14 | 111.3° | 110.4° |
| CAQ | CAM | H11 | 110.9° | 111.0° |
| CAQ | CAM | H12 | 110.9° | 111.0° |
| CAM | CAQ | H13 | 111.3° | 110.4° |
| CAM | CAQ | H14 | 111.3° | 110.3° |
| CAK | CAX | CAL | 116.6° | 120.1° |
| CAX | CAK | CAI | 121.3° | 120.1° |
| CAX | CAK | H21 | 119.3° | 119.9° |
| CAX | CAL | CAJ | 123.7° | 120.1° |
| CAX | CAL | H26 | 118.1° | 120.0° |
| CAK | CAI | CAW | 121.6° | 119.9° |
| CAI | CAK | H21 | 119.3° | 120.0° |
| CAK | CAI | H22 | 119.2° | 120.0° |
| CAL | CAJ | CAW | 118.3° | 119.9° |
| CAL | CAJ | H25 | 120.9° | 120.1° |
| CAJ | CAL | H26 | 118.2° | 119.9° |
| CAI | CAW | CAJ | 118.2° | 119.9° |
| CAI | CAW | NAB | 121.4° | 120.1° |
| CAW | CAI | H22 | 119.2° | 120.1° |
| CAJ | CAW | NAB | 120.3° | 120.1° |
| CAW | CAJ | H25 | 120.8° | 120.1° |
| CAW | NAB | H23 | 109.5° | 120.0° |
| CAW | NAB | H24 | 109.4° | 120.0° |
| H1 | CAA | H2 | 109.4° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H9 | CAP | H10 | 109.4° | 110.8° |
| H11 | CAM | H12 | 109.5° | 110.9° |
| H13 | CAQ | H14 | 109.5° | 110.4° |
| H15 | CA | H16 | 109.5° | 109.5° |
| H19 | CAO | H20 | 109.5° | 109.4° |
| H23 | NAB | H24 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAT | CAY | CAG | 6.6° | 0.2° |
| CAA | OAT | CAY | CAZ | 173.0° | 180.0° |
| OAT | CAA | H1 | H2 | 120.0° | 119.9° |
| OAT | CAA | H1 | H3 | 120.0° | 120.1° |
| OAT | CAA | H2 | H3 | 120.0° | 120.1° |
| OAT | CAY | CAG | CAZ | 179.6° | 179.8° |
| OAT | CAY | CAG | CAE | 178.8° | 180.0° |
| OAT | CAY | CAZ | CBA | 2.2° | 0.1° |
| OAT | CAY | CAZ | CAH | 178.1° | 179.7° |
| CAY | OAT | CAA | H1 | 180.0° | 60.1° |
| CAY | OAT | CAA | H2 | 60.0° | 180.0° |
| CAY | OAT | CAA | H3 | 60.0° | 59.9° |
| OAT | CAY | CAG | H4 | 1.2° | 0.0° |
| CAY | CAG | CAE | H4 | 180.0° | 179.9° |
| CAY | CAG | CAE | CAF | 0.3° | 0.0° |
| CAG | CAY | CAZ | CBA | 178.2° | 179.7° |
| CAG | CAY | CAZ | CAH | 1.5° | 0.5° |
| CAY | CAG | CAE | H5 | 179.7° | 180.0° |
| CAE | CAG | CAY | CAZ | 0.8° | 0.2° |
| CAG | CAE | CAF | H5 | 180.0° | 180.0° |
| CAG | CAE | CAF | CAH | 0.5° | 0.0° |
| CAG | CAE | CAF | H6 | 179.6° | 180.0° |
| CAY | CAZ | CBA | CAH | 179.6° | 179.8° |
| CAY | CAZ | CBA | CAP | 85.7° | 86.5° |
| CAY | CAZ | CBA | NBB | 162.4° | 155.7° |
| CAY | CAZ | CAH | CAF | 1.7° | 0.5° |
| CAZ | CAY | CAG | H4 | 179.2° | 179.9° |
| CAY | CAZ | CAH | H7 | 178.3° | 179.8° |
| CAY | CAZ | CBA | H8 | 39.0° | 34.5° |
| CAE | CAF | CAH | CAZ | 1.2° | 0.3° |
| CAE | CAF | CAH | H6 | 180.0° | 179.9° |
| CAF | CAE | CAG | H4 | 179.8° | 179.9° |
| CAE | CAF | CAH | H7 | 178.8° | 180.0° |
| CAZ | CBA | CAP | NBB | 118.5° | 119.4° |
| CAZ | CBA | CAP | H8 | 125.7° | 121.0° |
| CAZ | CBA | NBB | H8 | 124.0° | 121.1° |
| CAZ | CBA | CAP | CAM | 82.9° | 141.6° |
| CBA | CAZ | CAH | CAF | 178.0° | 179.7° |
| CAZ | CBA | NBB | C | 80.7° | 61.6° |
| CAZ | CBA | NBB | CAQ | 108.0° | 118.4° |
| CBA | CAZ | CAH | H7 | 2.0° | 0.1° |
| CAZ | CBA | CAP | H9 | 158.3° | 100.0° |
| CAZ | CBA | CAP | H10 | 35.8° | 23.3° |
| CAH | CAZ | CBA | CAP | 93.9° | 93.3° |
| CAH | CAZ | CBA | NBB | 17.9° | 24.5° |
| CAZ | CAH | CAF | H7 | 180.0° | 179.8° |
| CAZ | CAH | CAF | H6 | 178.8° | 179.8° |
| CAH | CAZ | CBA | H8 | 141.3° | 145.7° |
| CAP | CBA | NBB | H8 | 115.3° | 119.5° |
| CBA | CAP | CAM | H9 | 118.7° | 118.4° |
| CBA | CAP | CAM | H10 | 118.7° | 118.3° |
| CAP | CBA | NBB | C | 158.6° | 179.0° |
| CAP | CBA | NBB | CAQ | 12.7° | 1.1° |
| CBA | CAP | CAM | CAQ | 46.7° | 35.5° |
| CBA | CAP | H9 | H10 | 123.7° | 123.2° |
| CBA | CAP | CAM | H11 | 165.8° | 82.6° |
| CBA | CAP | CAM | H12 | 72.3° | 153.6° |
| NBB | CBA | CAP | CAM | 35.5° | 22.2° |
| CBA | NBB | C | CA | 5.0° | 180.0° |
| CBA | NBB | C | CAQ | 170.4° | 180.0° |
| CBA | NBB | CAQ | CAM | 14.9° | 24.1° |
| CBA | NBB | C | O | 172.1° | 0.0° |
| NBB | CBA | CAP | H9 | 83.2° | 140.5° |
| NBB | CBA | CAP | H10 | 154.2° | 96.2° |
| CBA | NBB | CAQ | H13 | 133.6° | 142.9° |
| CBA | NBB | CAQ | H14 | 103.9° | 94.7° |
| CAP | CAM | CAQ | NBB | 38.3° | 36.9° |
| CAP | CAM | CAQ | H11 | 119.1° | 118.1° |
| CAP | CAM | CAQ | H12 | 119.1° | 118.1° |
| CAM | CAP | CBA | H8 | 151.4° | 97.4° |
| CAM | CAP | H9 | H10 | 123.7° | 123.2° |
| CAP | CAM | H11 | H12 | 122.7° | 123.8° |
| CAP | CAM | CAQ | H13 | 157.1° | 155.8° |
| CAP | CAM | CAQ | H14 | 80.5° | 81.9° |
| OAC | CAU | N | CA | 7.5° | 0.0° |
| OAC | CAU | N | NAS | 176.4° | 180.0° |
| OAC | CAU | NAS | CAO | 8.3° | 0.0° |
| OAC | CAU | N | H17 | 172.5° | 180.0° |
| OAC | CAU | NAS | H18 | 171.8° | 180.0° |
| CAH | CAF | CAE | H5 | 179.5° | 180.0° |
| N | CA | C | H15 | 120.2° | 120.0° |
| N | CA | C | H16 | 120.2° | 120.0° |
| CA | N | CAU | H17 | 180.0° | 179.9° |
| CA | N | CAU | NAS | 176.1° | 180.0° |
| N | CA | C | NBB | 169.0° | 180.0° |
| N | CA | C | O | 8.0° | 0.0° |
| N | CA | H15 | H16 | 119.3° | 120.0° |
| C | CA | N | CAU | 86.4° | 180.0° |
| CA | C | NBB | O | 177.1° | 180.0° |
| CA | C | NBB | CAQ | 175.5° | 0.0° |
| C | CA | H15 | H16 | 119.3° | 120.0° |
| C | CA | N | H17 | 93.6° | 0.1° |
| N | CAU | NAS | CAO | 175.3° | 180.0° |
| CAU | N | CA | H15 | 33.9° | 60.0° |
| CAU | N | CA | H16 | 153.4° | 60.0° |
| N | CAU | NAS | H18 | 4.7° | 0.0° |
| CAU | NAS | CAO | H18 | 180.0° | 180.0° |
| CAU | NAS | CAO | CAX | 120.3° | 180.0° |
| NAS | CAU | N | H17 | 3.8° | 0.0° |
| CAU | NAS | CAO | H19 | 119.6° | 59.9° |
| CAU | NAS | CAO | H20 | 0.2° | 60.0° |
| NAS | CAO | CAX | H19 | 120.1° | 120.0° |
| NAS | CAO | CAX | H20 | 120.1° | 120.0° |
| NAS | CAO | CAX | CAK | 138.5° | 90.0° |
| NAS | CAO | CAX | CAL | 48.2° | 90.3° |
| NAS | CAO | H19 | H20 | 119.8° | 120.0° |
| CAO | CAX | CAK | CAL | 173.7° | 179.7° |
| CAO | CAX | CAK | CAI | 179.9° | 180.0° |
| CAO | CAX | CAL | CAJ | 177.1° | 179.7° |
| CAX | CAO | NAS | H18 | 59.7° | 0.0° |
| CAX | CAO | H19 | H20 | 119.8° | 120.0° |
| CAO | CAX | CAK | H21 | 0.1° | 0.1° |
| CAO | CAX | CAL | H26 | 2.8° | 0.0° |
| C | NBB | CAQ | CAM | 173.6° | 155.9° |
| C | NBB | CBA | H8 | 43.3° | 59.5° |
| C | NBB | CAQ | H13 | 54.8° | 37.1° |
| C | NBB | CAQ | H14 | 67.6° | 85.3° |
| NBB | C | CA | H15 | 48.8° | 60.0° |
| NBB | C | CA | H16 | 70.8° | 60.0° |
| NBB | CAQ | CAM | H13 | 118.8° | 118.9° |
| NBB | CAQ | CAM | H14 | 118.8° | 118.9° |
| CAQ | NBB | C | O | 1.7° | 180.0° |
| CAQ | NBB | CBA | H8 | 128.0° | 120.5° |
| NBB | CAQ | CAM | H11 | 157.4° | 81.1° |
| NBB | CAQ | CAM | H12 | 80.7° | 155.0° |
| NBB | CAQ | H13 | H14 | 123.5° | 122.4° |
| CAQ | CAM | CAP | H9 | 72.0° | 153.9° |
| CAQ | CAM | CAP | H10 | 165.5° | 82.9° |
| CAQ | CAM | H11 | H12 | 122.7° | 123.9° |
| CAM | CAQ | H13 | H14 | 123.5° | 122.2° |
| O | C | CA | H15 | 128.3° | 120.0° |
| O | C | CA | H16 | 112.2° | 120.0° |
| CAX | CAK | CAI | H21 | 180.0° | 179.9° |
| CAK | CAX | CAL | CAJ | 3.5° | 0.6° |
| CAX | CAK | CAI | CAW | 4.6° | 0.0° |
| CAK | CAX | CAO | H19 | 18.4° | 30.0° |
| CAK | CAX | CAO | H20 | 101.4° | 150.0° |
| CAX | CAK | CAI | H22 | 175.4° | 180.0° |
| CAK | CAX | CAL | H26 | 176.5° | 179.7° |
| CAL | CAX | CAK | CAI | 6.2° | 0.3° |
| CAX | CAL | CAJ | H26 | 180.0° | 179.7° |
| CAX | CAL | CAJ | CAW | 1.1° | 0.5° |
| CAL | CAX | CAO | H19 | 168.2° | 149.7° |
| CAL | CAX | CAO | H20 | 71.9° | 29.7° |
| CAL | CAX | CAK | H21 | 173.7° | 179.8° |
| CAX | CAL | CAJ | H25 | 178.9° | 179.7° |
| CAK | CAI | CAW | H22 | 180.0° | 180.0° |
| CAK | CAI | CAW | CAJ | 0.2° | 0.0° |
| CAK | CAI | CAW | NAB | 175.5° | 180.0° |
| CAL | CAJ | CAW | CAI | 2.9° | 0.3° |
| CAL | CAJ | CAW | H25 | 180.0° | 179.8° |
| CAL | CAJ | CAW | NAB | 178.2° | 179.7° |
| CAI | CAW | CAJ | NAB | 175.3° | 180.0° |
| CAW | CAI | CAK | H21 | 175.3° | 179.9° |
| CAI | CAW | NAB | H23 | 180.0° | 0.0° |
| CAI | CAW | NAB | H24 | 60.0° | 180.0° |
| CAI | CAW | CAJ | H25 | 177.1° | 180.0° |
| CAJ | CAW | CAI | H22 | 179.8° | 180.0° |
| CAJ | CAW | NAB | H23 | 4.8° | 179.9° |
| CAJ | CAW | NAB | H24 | 124.8° | 0.0° |
| CAW | CAJ | CAL | H26 | 178.9° | 179.7° |
| NAB | CAW | CAI | H22 | 4.5° | 0.0° |
| CAW | NAB | H23 | H24 | 120.0° | 180.0° |
| NAB | CAW | CAJ | H25 | 1.8° | 0.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAG | CAE | H5 | 0.3° | 0.1° |
| H5 | CAE | CAF | H6 | 0.5° | 0.0° |
| H6 | CAF | CAH | H7 | 1.2° | 0.0° |
| H8 | CBA | CAP | H9 | 32.7° | 21.0° |
| H8 | CBA | CAP | H10 | 89.9° | 144.3° |
| H9 | CAP | CAM | H11 | 47.1° | 35.8° |
| H9 | CAP | CAM | H12 | 169.0° | 88.0° |
| H10 | CAP | CAM | H11 | 75.5° | 159.0° |
| H10 | CAP | CAM | H12 | 46.4° | 35.3° |
| H11 | CAM | CAQ | H13 | 83.8° | 37.7° |
| H11 | CAM | CAQ | H14 | 38.6° | 160.0° |
| H12 | CAM | CAQ | H13 | 38.1° | 86.1° |
| H12 | CAM | CAQ | H14 | 160.5° | 36.2° |
| H15 | CA | N | H17 | 146.2° | 120.0° |
| H16 | CA | N | H17 | 26.7° | 120.0° |
| H18 | NAS | CAO | H19 | 60.4° | 120.0° |
| H18 | NAS | CAO | H20 | 179.8° | 120.0° |
| H21 | CAK | CAI | H22 | 4.7° | 0.0° |
| H25 | CAJ | CAL | H26 | 1.1° | 0.1° |
