DL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAN | sing | 1.53Å | 1.52Å | |
| CAL | OAS | sing | 1.43Å | 1.44Å | |
| CAN | NBB | sing | 1.47Å | 1.48Å | |
| OAS | CAK | sing | 1.43Å | 1.44Å | |
| CAK | CAM | sing | 1.53Å | 1.52Å | |
| NBB | CAV | sing | 1.40Å | 1.34Å | |
| NBB | CAM | sing | 1.47Å | 1.48Å | |
| CAA | OAT | sing | 1.43Å | 1.43Å | |
| CAJ | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| OAT | CBA | sing | 1.36Å | 1.37Å | |
| CBA | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | NAQ | sing | 1.40Å | 1.34Å | |
| CAD | CAG | sing | 1.39Å | 1.33Å | Aromatic |
| CAD | NAO | doub | 1.31Å | 1.34Å | Aromatic |
| NAQ | CAU | sing | 1.35Å | 1.35Å | |
| CAG | CAZ | doub | 1.37Å | 1.33Å | Aromatic |
| CAU | OAB | doub | 1.21Å | 1.23Å | |
| CAU | CAW | sing | 1.48Å | 1.39Å | |
| NAO | NAR | sing | 1.40Å | 1.26Å | Aromatic |
| NAP | CAW | doub | 1.33Å | 1.35Å | Aromatic |
| NAP | CAX | sing | 1.33Å | 1.34Å | Aromatic |
| CAZ | CAX | sing | 1.48Å | 1.34Å | |
| CAZ | NAR | sing | 1.36Å | 1.33Å | Aromatic |
| CAW | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| NAQ | H15 | sing | 0.97Å | 1.00Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAC | H17 | sing | 1.08Å | 1.08Å | |
| CAF | H18 | sing | 1.08Å | 1.08Å | |
| NAR | H19 | sing | 0.97Å | 1.00Å | |
| CAD | H20 | sing | 1.08Å | 1.08Å | |
| CAG | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAL | OAS | 110.0° | 109.3° |
| CAL | CAN | NBB | 111.7° | 109.3° |
| CAN | CAL | H5 | 109.3° | 109.5° |
| CAN | CAL | H6 | 109.3° | 109.4° |
| CAL | CAN | H7 | 108.9° | 109.5° |
| CAL | CAN | H8 | 108.9° | 109.5° |
| CAL | OAS | CAK | 108.9° | 113.7° |
| OAS | CAL | H5 | 109.4° | 109.6° |
| OAS | CAL | H6 | 109.3° | 109.5° |
| CAN | NBB | CAV | 119.9° | 111.0° |
| CAN | NBB | CAM | 120.1° | 110.7° |
| NBB | CAN | H7 | 108.9° | 109.5° |
| NBB | CAN | H8 | 108.9° | 109.5° |
| OAS | CAK | CAM | 110.4° | 109.3° |
| OAS | CAK | H3 | 109.2° | 109.5° |
| OAS | CAK | H4 | 109.2° | 109.5° |
| CAK | CAM | NBB | 111.7° | 109.2° |
| CAK | CAM | H1 | 108.9° | 109.5° |
| CAK | CAM | H2 | 108.9° | 109.5° |
| CAM | CAK | H3 | 109.3° | 109.5° |
| CAM | CAK | H4 | 109.2° | 109.5° |
| CAV | NBB | CAM | 119.8° | 111.0° |
| NBB | CAV | CAJ | 119.2° | 120.0° |
| NBB | CAV | CAH | 120.5° | 120.0° |
| NBB | CAM | H1 | 108.9° | 109.5° |
| NBB | CAM | H2 | 108.9° | 109.6° |
| CAA | OAT | CBA | 112.3° | 117.0° |
| OAT | CAA | H10 | 109.5° | 109.4° |
| OAT | CAA | H11 | 109.5° | 109.5° |
| OAT | CAA | H12 | 109.4° | 109.5° |
| CAV | CAJ | CBA | 119.1° | 119.9° |
| CAJ | CAV | CAH | 120.3° | 120.0° |
| CAV | CAJ | H9 | 120.5° | 120.0° |
| CAJ | CBA | OAT | 123.3° | 120.0° |
| CAJ | CBA | CAY | 121.0° | 120.0° |
| CBA | CAJ | H9 | 120.5° | 120.1° |
| CAV | CAH | CAI | 120.3° | 120.1° |
| CAV | CAH | H13 | 119.9° | 119.9° |
| OAT | CBA | CAY | 115.7° | 120.0° |
| CBA | CAY | CAI | 119.8° | 120.0° |
| CBA | CAY | NAQ | 113.5° | 120.1° |
| CAH | CAI | CAY | 119.6° | 120.0° |
| CAI | CAH | H13 | 119.8° | 120.0° |
| CAH | CAI | H14 | 120.2° | 120.0° |
| CAI | CAY | NAQ | 126.7° | 120.0° |
| CAY | CAI | H14 | 120.2° | 120.0° |
| CAY | NAQ | CAU | 125.6° | 120.0° |
| CAY | NAQ | H15 | 117.2° | 120.0° |
| CAG | CAD | NAO | 107.7° | 108.6° |
| CAD | CAG | CAZ | 105.7° | 107.8° |
| CAG | CAD | H20 | 126.1° | 125.7° |
| CAD | CAG | H21 | 127.2° | 126.1° |
| CAD | NAO | NAR | 109.5° | 108.5° |
| NAO | CAD | H20 | 126.1° | 125.7° |
| NAQ | CAU | OAB | 127.5° | 120.0° |
| NAQ | CAU | CAW | 111.8° | 120.0° |
| CAU | NAQ | H15 | 117.2° | 120.0° |
| CAG | CAZ | CAX | 125.1° | 126.3° |
| CAG | CAZ | NAR | 109.1° | 107.3° |
| CAZ | CAG | H21 | 127.2° | 126.1° |
| OAB | CAU | CAW | 120.7° | 120.0° |
| CAU | CAW | NAP | 118.6° | 119.7° |
| CAU | CAW | CAE | 120.6° | 119.6° |
| NAO | NAR | CAZ | 108.0° | 107.7° |
| NAO | NAR | H19 | 126.0° | 126.2° |
| CAW | NAP | CAX | 122.3° | 121.5° |
| NAP | CAW | CAE | 120.8° | 120.7° |
| NAP | CAX | CAZ | 119.8° | 119.7° |
| NAP | CAX | CAF | 119.0° | 120.6° |
| CAX | CAZ | NAR | 125.8° | 126.3° |
| CAZ | CAX | CAF | 121.2° | 119.7° |
| CAZ | NAR | H19 | 126.0° | 126.1° |
| CAW | CAE | CAC | 118.1° | 119.3° |
| CAW | CAE | H16 | 120.9° | 120.4° |
| CAX | CAF | CAC | 120.0° | 119.3° |
| CAX | CAF | H18 | 120.0° | 120.4° |
| CAE | CAC | CAF | 119.8° | 118.6° |
| CAC | CAE | H16 | 120.9° | 120.4° |
| CAE | CAC | H17 | 120.1° | 120.6° |
| CAF | CAC | H17 | 120.1° | 120.8° |
| CAC | CAF | H18 | 120.0° | 120.3° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H3 | CAK | H4 | 109.5° | 109.5° |
| H5 | CAL | H6 | 109.5° | 109.6° |
| H7 | CAN | H8 | 109.4° | 109.5° |
| H10 | CAA | H11 | 109.4° | 109.4° |
| H10 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAL | OAS | H5 | 120.1° | 120.0° |
| CAN | CAL | OAS | H6 | 120.1° | 119.8° |
| CAL | CAN | NBB | H7 | 120.4° | 119.9° |
| CAL | CAN | NBB | H8 | 120.3° | 120.0° |
| CAN | CAL | OAS | CAK | 68.0° | 58.7° |
| CAL | CAN | NBB | CAV | 152.3° | 177.6° |
| CAL | CAN | NBB | CAM | 31.9° | 58.6° |
| CAN | CAL | H5 | H6 | 119.8° | 120.1° |
| CAL | CAN | H7 | H8 | 119.0° | 120.1° |
| OAS | CAL | CAN | NBB | 48.4° | 56.9° |
| CAL | OAS | CAK | CAM | 67.6° | 58.7° |
| CAL | OAS | CAK | H3 | 172.3° | 61.3° |
| CAL | OAS | CAK | H4 | 52.6° | 178.6° |
| OAS | CAL | H5 | H6 | 119.8° | 120.1° |
| OAS | CAL | CAN | H7 | 168.8° | 176.8° |
| OAS | CAL | CAN | H8 | 71.9° | 63.1° |
| CAN | NBB | CAM | CAK | 31.3° | 58.6° |
| CAN | NBB | CAV | CAM | 175.8° | 123.6° |
| CAN | NBB | CAV | CAJ | 23.4° | 179.7° |
| CAN | NBB | CAV | CAH | 157.2° | 0.1° |
| CAN | NBB | CAM | H1 | 89.1° | 61.3° |
| CAN | NBB | CAM | H2 | 151.6° | 178.5° |
| NBB | CAN | CAL | H5 | 168.5° | 63.1° |
| NBB | CAN | CAL | H6 | 71.6° | 176.8° |
| NBB | CAN | H7 | H8 | 119.0° | 120.1° |
| OAS | CAK | CAM | H3 | 120.1° | 120.0° |
| OAS | CAK | CAM | H4 | 120.2° | 119.9° |
| OAS | CAK | CAM | NBB | 47.3° | 56.9° |
| OAS | CAK | CAM | H1 | 73.1° | 63.0° |
| OAS | CAK | CAM | H2 | 167.6° | 176.8° |
| OAS | CAK | H3 | H4 | 119.6° | 120.1° |
| CAK | OAS | CAL | H5 | 171.9° | 61.3° |
| CAK | OAS | CAL | H6 | 52.0° | 178.5° |
| CAK | CAM | NBB | CAV | 152.9° | 177.6° |
| CAK | CAM | NBB | H1 | 120.3° | 119.9° |
| CAK | CAM | NBB | H2 | 120.3° | 119.9° |
| CAK | CAM | H1 | H2 | 119.0° | 120.1° |
| CAM | CAK | H3 | H4 | 119.6° | 120.1° |
| NBB | CAV | CAJ | CAH | 179.4° | 179.6° |
| NBB | CAV | CAJ | CBA | 179.5° | 179.9° |
| NBB | CAV | CAH | CAI | 179.5° | 179.9° |
| CAV | NBB | CAM | H1 | 86.8° | 62.4° |
| CAV | NBB | CAM | H2 | 32.6° | 57.7° |
| CAV | NBB | CAN | H7 | 31.9° | 57.8° |
| CAV | NBB | CAN | H8 | 87.4° | 62.4° |
| NBB | CAV | CAJ | H9 | 0.5° | 0.1° |
| NBB | CAV | CAH | H13 | 0.5° | 0.1° |
| CAM | NBB | CAV | CAJ | 152.4° | 56.7° |
| CAM | NBB | CAV | CAH | 26.9° | 123.7° |
| NBB | CAM | H1 | H2 | 119.0° | 120.2° |
| NBB | CAM | CAK | H3 | 167.4° | 63.1° |
| NBB | CAM | CAK | H4 | 72.9° | 176.8° |
| CAM | NBB | CAN | H7 | 152.2° | 178.5° |
| CAM | NBB | CAN | H8 | 88.5° | 61.3° |
| CAA | OAT | CBA | CAJ | 4.4° | 0.1° |
| CAA | OAT | CBA | CAY | 176.3° | 179.9° |
| OAT | CAA | H10 | H11 | 120.0° | 120.0° |
| OAT | CAA | H10 | H12 | 120.0° | 120.0° |
| OAT | CAA | H11 | H12 | 120.0° | 120.0° |
| CAV | CAJ | CBA | H9 | 180.0° | 180.0° |
| CAV | CAJ | CBA | OAT | 179.9° | 180.0° |
| CAV | CAJ | CBA | CAY | 0.6° | 0.0° |
| CAJ | CAV | CAH | CAI | 0.1° | 0.3° |
| CAJ | CAV | CAH | H13 | 179.9° | 179.7° |
| CBA | CAJ | CAV | CAH | 0.1° | 0.3° |
| CAJ | CBA | OAT | CAY | 179.3° | 180.0° |
| CAJ | CBA | CAY | CAI | 1.2° | 0.3° |
| CAJ | CBA | CAY | NAQ | 178.8° | 179.9° |
| CAV | CAH | CAI | H13 | 180.0° | 180.0° |
| CAV | CAH | CAI | CAY | 0.5° | 0.0° |
| CAH | CAV | CAJ | H9 | 179.9° | 179.7° |
| CAV | CAH | CAI | H14 | 179.5° | 180.0° |
| OAT | CBA | CAY | CAI | 179.4° | 179.7° |
| OAT | CBA | CAY | NAQ | 1.8° | 0.1° |
| OAT | CBA | CAJ | H9 | 0.1° | 0.0° |
| CBA | OAT | CAA | H10 | 180.0° | 180.0° |
| CBA | OAT | CAA | H11 | 60.0° | 60.1° |
| CBA | OAT | CAA | H12 | 60.0° | 60.0° |
| CBA | CAY | CAI | CAH | 1.2° | 0.3° |
| CBA | CAY | CAI | NAQ | 177.2° | 179.8° |
| CBA | CAY | NAQ | CAU | 173.7° | 155.4° |
| CAY | CBA | CAJ | H9 | 179.4° | 180.0° |
| CBA | CAY | CAI | H14 | 178.8° | 179.7° |
| CBA | CAY | NAQ | H15 | 6.3° | 24.6° |
| CAH | CAI | CAY | H14 | 180.0° | 180.0° |
| CAH | CAI | CAY | NAQ | 178.4° | 179.9° |
| CAI | CAY | NAQ | CAU | 8.9° | 24.8° |
| CAY | CAI | CAH | H13 | 179.5° | 180.0° |
| CAI | CAY | NAQ | H15 | 171.1° | 155.2° |
| CAY | NAQ | CAU | H15 | 180.0° | 180.0° |
| CAY | NAQ | CAU | OAB | 2.2° | 5.5° |
| CAY | NAQ | CAU | CAW | 176.3° | 174.4° |
| NAQ | CAY | CAI | H14 | 1.6° | 0.1° |
| CAG | CAD | NAO | H20 | 180.0° | 179.6° |
| CAD | CAG | CAZ | H21 | 180.0° | 179.6° |
| CAG | CAD | NAO | NAR | 0.1° | 0.2° |
| CAD | CAG | CAZ | CAX | 179.2° | 179.8° |
| CAD | CAG | CAZ | NAR | 0.4° | 0.4° |
| NAO | CAD | CAG | CAZ | 0.2° | 0.4° |
| CAD | NAO | NAR | CAZ | 0.3° | 0.0° |
| CAD | NAO | NAR | H19 | 179.7° | 180.0° |
| NAO | CAD | CAG | H21 | 179.8° | 180.0° |
| NAQ | CAU | OAB | CAW | 178.3° | 180.0° |
| NAQ | CAU | CAW | NAP | 10.3° | 0.2° |
| NAQ | CAU | CAW | CAE | 167.9° | 180.0° |
| CAG | CAZ | NAR | NAO | 0.4° | 0.3° |
| CAG | CAZ | CAX | NAP | 0.8° | 0.3° |
| CAG | CAZ | CAX | NAR | 178.6° | 179.7° |
| CAG | CAZ | CAX | CAF | 178.2° | 179.7° |
| CAG | CAZ | NAR | H19 | 179.6° | 179.7° |
| CAZ | CAG | CAD | H20 | 179.9° | 179.9° |
| OAB | CAU | CAW | NAP | 171.2° | 179.7° |
| OAB | CAU | CAW | CAE | 10.7° | 0.0° |
| OAB | CAU | NAQ | H15 | 177.8° | 174.5° |
| CAU | CAW | NAP | CAE | 178.1° | 179.7° |
| CAU | CAW | NAP | CAX | 179.1° | 180.0° |
| CAU | CAW | CAE | CAC | 178.8° | 180.0° |
| CAW | CAU | NAQ | H15 | 3.7° | 5.6° |
| CAU | CAW | CAE | H16 | 1.2° | 0.0° |
| NAO | NAR | CAZ | CAX | 179.2° | 180.0° |
| NAO | NAR | CAZ | H19 | 180.0° | 180.0° |
| NAR | NAO | CAD | H20 | 179.9° | 179.9° |
| CAW | NAP | CAX | CAZ | 179.8° | 180.0° |
| CAW | NAP | CAX | CAF | 0.8° | 0.1° |
| NAP | CAW | CAE | CAC | 0.7° | 0.3° |
| NAP | CAW | CAE | H16 | 179.3° | 179.7° |
| NAP | CAX | CAZ | CAF | 179.0° | 179.9° |
| NAP | CAX | CAZ | NAR | 179.5° | 180.0° |
| CAX | NAP | CAW | CAE | 1.0° | 0.2° |
| NAP | CAX | CAF | CAC | 0.2° | 0.3° |
| NAP | CAX | CAF | H18 | 179.8° | 180.0° |
| CAZ | CAX | CAF | CAC | 179.3° | 179.8° |
| CAZ | CAX | CAF | H18 | 0.7° | 0.0° |
| CAX | CAZ | NAR | H19 | 0.8° | 0.0° |
| CAX | CAZ | CAG | H21 | 0.8° | 0.3° |
| NAR | CAZ | CAX | CAF | 0.4° | 0.0° |
| NAR | CAZ | CAG | H21 | 179.6° | 180.0° |
| CAW | CAE | CAC | H16 | 180.0° | 180.0° |
| CAW | CAE | CAC | CAF | 0.2° | 0.1° |
| CAW | CAE | CAC | H17 | 179.8° | 179.9° |
| CAX | CAF | CAC | CAE | 0.0° | 0.2° |
| CAX | CAF | CAC | H18 | 180.0° | 179.7° |
| CAX | CAF | CAC | H17 | 180.0° | 179.7° |
| CAE | CAC | CAF | H17 | 180.0° | 179.9° |
| CAE | CAC | CAF | H18 | 180.0° | 180.0° |
| CAF | CAC | CAE | H16 | 179.8° | 180.0° |
| H1 | CAM | CAK | H3 | 47.1° | 177.0° |
| H1 | CAM | CAK | H4 | 166.8° | 56.9° |
| H2 | CAM | CAK | H3 | 72.3° | 56.9° |
| H2 | CAM | CAK | H4 | 47.5° | 63.2° |
| H5 | CAL | CAN | H7 | 71.1° | 56.8° |
| H5 | CAL | CAN | H8 | 48.2° | 176.9° |
| H6 | CAL | CAN | H7 | 48.7° | 63.3° |
| H6 | CAL | CAN | H8 | 168.0° | 56.8° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAH | CAI | H14 | 0.5° | 0.0° |
| H16 | CAE | CAC | H17 | 0.2° | 0.1° |
| H17 | CAC | CAF | H18 | 0.0° | 0.1° |
| H20 | CAD | CAG | H21 | 0.1° | 0.4° |
