D7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAQ | sing | 1.43Å | 1.42Å | |
| CAL | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAW | sing | 1.39Å | 1.38Å | Aromatic |
| CAG | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | NAP | sing | 1.47Å | 1.49Å | |
| CAN | CAO | sing | 1.53Å | 1.52Å | |
| OAQ | CAW | sing | 1.36Å | 1.33Å | |
| CAW | CAX | doub | 1.39Å | 1.40Å | Aromatic |
| NAP | CAS | sing | 1.35Å | 1.33Å | |
| OAD | CAS | doub | 1.22Å | 1.26Å | |
| CAS | CAU | sing | 1.48Å | 1.42Å | |
| CAT | CAO | sing | 1.51Å | 1.41Å | |
| CAT | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | OAR | sing | 1.36Å | 1.33Å | |
| CAU | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | OAR | sing | 1.43Å | 1.43Å | |
| CAJ | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAV | sing | 1.38Å | 1.37Å | Aromatic |
| CAV | SAY | sing | 1.76Å | 1.77Å | |
| NAC | SAY | sing | 1.66Å | 1.61Å | |
| OAF | SAY | doub | 1.42Å | 1.45Å | |
| SAY | OAE | doub | 1.42Å | 1.48Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| NAP | H14 | sing | 0.97Å | 1.00Å | |
| CAI | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAJ | H18 | sing | 1.08Å | 1.08Å | |
| NAC | H19 | sing | 0.97Å | 1.00Å | |
| NAC | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAQ | CAW | 118.5° | 117.0° |
| OAQ | CAA | H5 | 109.5° | 109.5° |
| OAQ | CAA | H6 | 109.5° | 109.5° |
| OAQ | CAA | H7 | 109.5° | 109.5° |
| CAG | CAL | CAW | 119.7° | 120.0° |
| CAL | CAG | CAT | 123.6° | 120.1° |
| CAG | CAL | H8 | 120.2° | 120.0° |
| CAL | CAG | H9 | 118.2° | 119.9° |
| CAL | CAW | OAQ | 127.6° | 120.1° |
| CAL | CAW | CAX | 117.3° | 119.8° |
| CAW | CAL | H8 | 120.1° | 120.0° |
| CAG | CAT | CAO | 121.3° | 119.9° |
| CAG | CAT | CAM | 116.6° | 120.1° |
| CAT | CAG | H9 | 118.2° | 119.9° |
| NAP | CAN | CAO | 109.8° | 109.5° |
| CAN | NAP | CAS | 120.3° | 120.0° |
| NAP | CAN | H12 | 109.4° | 109.5° |
| NAP | CAN | H13 | 109.4° | 109.5° |
| CAN | NAP | H14 | 119.8° | 119.9° |
| CAN | CAO | CAT | 114.6° | 109.4° |
| CAN | CAO | H10 | 108.2° | 109.5° |
| CAN | CAO | H11 | 108.2° | 109.4° |
| CAO | CAN | H12 | 109.4° | 109.5° |
| CAO | CAN | H13 | 109.4° | 109.5° |
| OAQ | CAW | CAX | 115.1° | 120.1° |
| CAW | CAX | CAM | 122.7° | 119.9° |
| CAW | CAX | OAR | 113.0° | 120.0° |
| NAP | CAS | OAD | 119.1° | 120.0° |
| NAP | CAS | CAU | 121.3° | 119.9° |
| CAS | NAP | H14 | 119.8° | 120.1° |
| OAD | CAS | CAU | 119.5° | 120.0° |
| CAS | CAU | CAH | 121.7° | 120.1° |
| CAS | CAU | CAI | 119.8° | 120.2° |
| CAO | CAT | CAM | 121.9° | 119.9° |
| CAT | CAO | H10 | 108.2° | 109.5° |
| CAT | CAO | H11 | 108.2° | 109.5° |
| CAT | CAM | CAX | 120.0° | 120.0° |
| CAT | CAM | H4 | 120.0° | 120.0° |
| CAM | CAX | OAR | 124.3° | 120.1° |
| CAX | CAM | H4 | 120.0° | 120.0° |
| CAX | OAR | CAB | 113.6° | 117.0° |
| CAH | CAU | CAI | 118.4° | 119.7° |
| CAU | CAH | CAJ | 121.1° | 119.9° |
| CAU | CAH | H17 | 119.4° | 120.1° |
| CAU | CAI | CAK | 120.5° | 119.9° |
| CAU | CAI | H15 | 119.8° | 120.1° |
| CAH | CAJ | CAV | 119.0° | 120.1° |
| CAJ | CAH | H17 | 119.5° | 120.0° |
| CAH | CAJ | H18 | 120.5° | 119.9° |
| CAI | CAK | CAV | 122.0° | 120.1° |
| CAK | CAI | H15 | 119.7° | 120.0° |
| CAI | CAK | H16 | 119.0° | 119.9° |
| OAR | CAB | H1 | 109.5° | 109.5° |
| OAR | CAB | H2 | 109.4° | 109.5° |
| OAR | CAB | H3 | 109.5° | 109.5° |
| CAJ | CAV | CAK | 119.0° | 120.3° |
| CAJ | CAV | SAY | 119.3° | 119.8° |
| CAV | CAJ | H18 | 120.5° | 120.0° |
| CAK | CAV | SAY | 121.7° | 119.9° |
| CAV | CAK | H16 | 119.0° | 119.9° |
| CAV | SAY | NAC | 109.1° | 107.2° |
| CAV | SAY | OAF | 105.7° | 106.4° |
| CAV | SAY | OAE | 105.0° | 106.4° |
| NAC | SAY | OAF | 110.1° | 106.4° |
| NAC | SAY | OAE | 110.3° | 106.4° |
| SAY | NAC | H19 | 109.5° | 119.9° |
| SAY | NAC | H20 | 109.5° | 120.0° |
| OAF | SAY | OAE | 116.2° | 123.2° |
| H1 | CAB | H2 | 109.4° | 109.4° |
| H1 | CAB | H3 | 109.5° | 109.4° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.5° |
| H5 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.4° | 109.4° |
| H10 | CAO | H11 | 109.5° | 109.5° |
| H12 | CAN | H13 | 109.5° | 109.5° |
| H19 | NAC | H20 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAQ | CAW | CAL | 34.9° | 0.0° |
| CAA | OAQ | CAW | CAX | 148.3° | 180.0° |
| OAQ | CAA | H5 | H6 | 120.0° | 120.0° |
| OAQ | CAA | H5 | H7 | 120.0° | 120.0° |
| OAQ | CAA | H6 | H7 | 120.0° | 120.0° |
| CAG | CAL | CAW | H8 | 180.0° | 179.7° |
| CAL | CAG | CAT | H9 | 180.0° | 179.8° |
| CAG | CAL | CAW | OAQ | 176.0° | 179.9° |
| CAG | CAL | CAW | CAX | 0.8° | 0.0° |
| CAL | CAG | CAT | CAO | 173.9° | 180.0° |
| CAL | CAG | CAT | CAM | 1.6° | 0.5° |
| CAW | CAL | CAG | CAT | 0.8° | 0.2° |
| CAL | CAW | OAQ | CAX | 176.9° | 179.9° |
| CAL | CAW | CAX | CAM | 1.5° | 0.0° |
| CAL | CAW | CAX | OAR | 178.4° | 179.7° |
| CAW | CAL | CAG | H9 | 179.2° | 180.0° |
| CAG | CAT | CAO | CAN | 34.1° | 90.0° |
| CAG | CAT | CAO | CAM | 175.3° | 179.5° |
| CAG | CAT | CAM | CAX | 0.9° | 0.5° |
| CAG | CAT | CAM | H4 | 179.1° | 179.5° |
| CAT | CAG | CAL | H8 | 179.2° | 180.0° |
| CAG | CAT | CAO | H10 | 86.6° | 150.0° |
| CAG | CAT | CAO | H11 | 154.9° | 30.0° |
| NAP | CAN | CAO | H12 | 120.0° | 120.0° |
| NAP | CAN | CAO | H13 | 120.1° | 120.0° |
| CAN | NAP | CAS | H14 | 180.0° | 180.0° |
| CAN | NAP | CAS | OAD | 3.8° | 0.1° |
| CAN | NAP | CAS | CAU | 173.5° | 180.0° |
| NAP | CAN | CAO | CAT | 169.9° | 180.0° |
| NAP | CAN | CAO | H10 | 49.1° | 60.0° |
| NAP | CAN | CAO | H11 | 69.4° | 60.0° |
| NAP | CAN | H12 | H13 | 119.9° | 120.0° |
| CAO | CAN | NAP | CAS | 87.4° | 180.0° |
| CAN | CAO | CAT | H10 | 120.8° | 120.0° |
| CAN | CAO | CAT | H11 | 120.8° | 119.9° |
| CAN | CAO | CAT | CAM | 150.5° | 90.6° |
| CAN | CAO | H10 | H11 | 117.7° | 120.0° |
| CAO | CAN | H12 | H13 | 119.8° | 120.0° |
| CAO | CAN | NAP | H14 | 92.6° | 0.0° |
| OAQ | CAW | CAX | CAM | 175.7° | 179.9° |
| OAQ | CAW | CAX | OAR | 4.4° | 0.3° |
| CAW | OAQ | CAA | H5 | 180.0° | 60.0° |
| CAW | OAQ | CAA | H6 | 60.0° | 60.0° |
| CAW | OAQ | CAA | H7 | 60.0° | 179.9° |
| OAQ | CAW | CAL | H8 | 3.9° | 0.3° |
| CAW | CAX | CAM | CAT | 0.6° | 0.3° |
| CAW | CAX | CAM | OAR | 179.8° | 179.7° |
| CAW | CAX | OAR | CAB | 122.1° | 179.7° |
| CAW | CAX | CAM | H4 | 179.4° | 179.7° |
| CAX | CAW | CAL | H8 | 179.3° | 179.7° |
| NAP | CAS | OAD | CAU | 177.3° | 180.0° |
| NAP | CAS | CAU | CAH | 0.6° | 180.0° |
| NAP | CAS | CAU | CAI | 178.0° | 0.3° |
| CAS | NAP | CAN | H12 | 152.5° | 60.0° |
| CAS | NAP | CAN | H13 | 32.6° | 60.0° |
| OAD | CAS | CAU | CAH | 177.9° | 0.0° |
| OAD | CAS | CAU | CAI | 0.7° | 179.8° |
| OAD | CAS | NAP | H14 | 176.2° | 180.0° |
| CAS | CAU | CAH | CAI | 178.6° | 179.8° |
| CAS | CAU | CAH | CAJ | 176.3° | 180.0° |
| CAS | CAU | CAI | CAK | 176.1° | 180.0° |
| CAU | CAS | NAP | H14 | 6.5° | 0.0° |
| CAS | CAU | CAI | H15 | 3.9° | 0.0° |
| CAS | CAU | CAH | H17 | 3.6° | 0.0° |
| CAO | CAT | CAM | CAX | 174.6° | 180.0° |
| CAO | CAT | CAM | H4 | 5.4° | 0.0° |
| CAO | CAT | CAG | H9 | 6.1° | 0.2° |
| CAT | CAO | H10 | H11 | 117.6° | 120.1° |
| CAT | CAO | CAN | H12 | 70.1° | 60.0° |
| CAT | CAO | CAN | H13 | 49.8° | 60.0° |
| CAT | CAM | CAX | H4 | 180.0° | 180.0° |
| CAT | CAM | CAX | OAR | 179.2° | 180.0° |
| CAM | CAT | CAG | H9 | 178.3° | 179.7° |
| CAM | CAT | CAO | H10 | 88.7° | 29.4° |
| CAM | CAT | CAO | H11 | 29.8° | 149.5° |
| CAM | CAX | OAR | CAB | 57.8° | 0.0° |
| CAX | OAR | CAB | H1 | 180.0° | 60.0° |
| CAX | OAR | CAB | H2 | 60.0° | 60.0° |
| CAX | OAR | CAB | H3 | 60.0° | 180.0° |
| OAR | CAX | CAM | H4 | 0.7° | 0.0° |
| CAU | CAH | CAJ | H17 | 180.0° | 180.0° |
| CAH | CAU | CAI | CAK | 2.5° | 0.2° |
| CAU | CAH | CAJ | CAV | 0.5° | 0.1° |
| CAH | CAU | CAI | H15 | 177.5° | 179.7° |
| CAU | CAH | CAJ | H18 | 179.5° | 180.0° |
| CAI | CAU | CAH | CAJ | 2.3° | 0.2° |
| CAU | CAI | CAK | H15 | 180.0° | 179.9° |
| CAU | CAI | CAK | CAV | 1.0° | 0.1° |
| CAU | CAI | CAK | H16 | 179.0° | 179.9° |
| CAI | CAU | CAH | H17 | 177.7° | 179.8° |
| CAH | CAJ | CAV | H18 | 180.0° | 179.9° |
| CAH | CAJ | CAV | CAK | 1.0° | 0.3° |
| CAH | CAJ | CAV | SAY | 177.0° | 180.0° |
| CAI | CAK | CAV | CAJ | 0.8° | 0.3° |
| CAI | CAK | CAV | H16 | 180.0° | 180.0° |
| CAI | CAK | CAV | SAY | 177.2° | 180.0° |
| OAR | CAB | H1 | H2 | 120.0° | 120.0° |
| OAR | CAB | H1 | H3 | 120.0° | 120.0° |
| OAR | CAB | H2 | H3 | 120.0° | 120.1° |
| CAJ | CAV | CAK | SAY | 178.0° | 179.7° |
| CAJ | CAV | SAY | NAC | 47.5° | 89.7° |
| CAJ | CAV | SAY | OAF | 165.8° | 156.8° |
| CAJ | CAV | SAY | OAE | 70.8° | 23.8° |
| CAJ | CAV | CAK | H16 | 179.2° | 179.7° |
| CAV | CAJ | CAH | H17 | 179.5° | 180.0° |
| CAK | CAV | SAY | NAC | 134.5° | 90.0° |
| CAK | CAV | SAY | OAF | 16.2° | 23.6° |
| CAK | CAV | SAY | OAE | 107.2° | 156.5° |
| CAV | CAK | CAI | H15 | 179.0° | 180.0° |
| CAK | CAV | CAJ | H18 | 179.0° | 179.7° |
| CAV | SAY | NAC | OAF | 115.6° | 113.6° |
| CAV | SAY | NAC | OAE | 114.8° | 113.5° |
| CAV | SAY | OAF | OAE | 116.0° | 123.0° |
| SAY | CAV | CAK | H16 | 2.8° | 0.0° |
| SAY | CAV | CAJ | H18 | 3.0° | 0.0° |
| CAV | SAY | NAC | H19 | 180.0° | 0.0° |
| CAV | SAY | NAC | H20 | 60.0° | 180.0° |
| NAC | SAY | OAF | OAE | 126.3° | 122.9° |
| SAY | NAC | H19 | H20 | 120.0° | 180.0° |
| OAF | SAY | NAC | H19 | 64.4° | 113.6° |
| OAF | SAY | NAC | H20 | 55.6° | 66.4° |
| OAE | SAY | NAC | H19 | 65.2° | 113.5° |
| OAE | SAY | NAC | H20 | 174.8° | 66.5° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H5 | CAA | H6 | H7 | 120.0° | 120.0° |
| H8 | CAL | CAG | H9 | 0.8° | 0.3° |
| H10 | CAO | CAN | H12 | 169.2° | 180.0° |
| H10 | CAO | CAN | H13 | 70.9° | 60.0° |
| H11 | CAO | CAN | H12 | 50.7° | 60.0° |
| H11 | CAO | CAN | H13 | 170.6° | 180.0° |
| H12 | CAN | NAP | H14 | 27.5° | 120.0° |
| H13 | CAN | NAP | H14 | 147.4° | 120.0° |
| H15 | CAI | CAK | H16 | 1.0° | 0.0° |
| H17 | CAH | CAJ | H18 | 0.5° | 0.0° |
