8YL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAY | sing | 1.47Å | 0.00Å | |
| CAD | NAY | sing | 1.46Å | 0.00Å | |
| NAY | C | sing | 1.35Å | 0.00Å | |
| C | CA | sing | 1.51Å | 0.00Å | |
| C | O | doub | 1.21Å | 0.00Å | |
| CA | N | sing | 1.48Å | 0.00Å | |
| CA | CB | sing | 1.54Å | 0.00Å | |
| N | CD | sing | 1.48Å | 0.00Å | |
| CD | CG | sing | 1.55Å | 0.00Å | |
| CB | CG | sing | 1.55Å | 0.00Å | |
| CG | SAO | sing | 1.81Å | 0.00Å | |
| OAH | CAP | doub | 1.22Å | 0.00Å | |
| SAO | CAT | sing | 1.76Å | 0.00Å | |
| OAE | CAP | sing | 1.35Å | 0.00Å | |
| CAP | CAS | sing | 1.41Å | 0.00Å | |
| CAT | CAS | doub | 1.35Å | 0.00Å | |
| CAT | CAV | sing | 1.51Å | 0.00Å | |
| CAS | NAN | sing | 1.40Å | 0.00Å | |
| CAV | CAB | sing | 1.53Å | 0.00Å | |
| CAV | CAZ | sing | 1.54Å | 0.00Å | |
| NAN | CAZ | sing | 1.47Å | 0.00Å | |
| CAZ | CBA | sing | 1.53Å | 0.00Å | |
| OAF | CAQ | doub | 1.21Å | 0.00Å | |
| CAQ | OAI | sing | 1.34Å | 0.00Å | |
| CAQ | CBA | sing | 1.51Å | 0.00Å | |
| CBA | CAU | sing | 1.53Å | 0.00Å | |
| CAU | OAJ | sing | 1.43Å | 0.00Å | |
| CAU | CAA | sing | 1.53Å | 0.00Å | |
| CAA | H1 | sing | 1.09Å | 0.00Å | |
| CAA | H2 | sing | 1.09Å | 0.00Å | |
| CAA | H3 | sing | 1.09Å | 0.00Å | |
| CAU | H4 | sing | 1.09Å | 0.00Å | |
| OAJ | H5 | sing | 0.97Å | 0.00Å | |
| CBA | H6 | sing | 1.09Å | 0.00Å | |
| OAI | H7 | sing | 0.97Å | 0.00Å | |
| CAZ | H8 | sing | 1.09Å | 0.00Å | |
| CAV | H9 | sing | 1.09Å | 0.00Å | |
| CAB | H10 | sing | 1.09Å | 0.00Å | |
| CAB | H11 | sing | 1.09Å | 0.00Å | |
| CAB | H12 | sing | 1.09Å | 0.00Å | |
| NAN | H13 | sing | 0.97Å | 0.00Å | |
| OAE | H14 | sing | 0.97Å | 0.00Å | |
| CG | H15 | sing | 1.09Å | 0.00Å | |
| CB | H16 | sing | 1.09Å | 0.00Å | |
| CB | H17 | sing | 1.09Å | 0.00Å | |
| CD | H18 | sing | 1.09Å | 0.00Å | |
| CD | H19 | sing | 1.09Å | 0.00Å | |
| N | H20 | sing | 1.01Å | 0.00Å | |
| CA | H22 | sing | 1.09Å | 0.00Å | |
| CAD | H23 | sing | 1.09Å | 0.00Å | |
| CAD | H24 | sing | 1.09Å | 0.00Å | |
| CAD | H25 | sing | 1.09Å | 0.00Å | |
| CAC | H26 | sing | 1.09Å | 0.00Å | |
| CAC | H27 | sing | 1.09Å | 0.00Å | |
| CAC | H28 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | NAY | CAD | 90.0° | 120.0° |
| CAC | NAY | C | 90.0° | 120.0° |
| NAY | CAC | H26 | 90.0° | 109.5° |
| NAY | CAC | H27 | 90.0° | 109.4° |
| NAY | CAC | H28 | 90.0° | 109.5° |
| CAD | NAY | C | 90.0° | 120.0° |
| NAY | CAD | H23 | 90.0° | 109.5° |
| NAY | CAD | H24 | 90.0° | 109.5° |
| NAY | CAD | H25 | 90.0° | 109.5° |
| NAY | C | CA | 90.0° | 120.0° |
| NAY | C | O | 90.0° | 120.0° |
| CA | C | O | 90.0° | 120.0° |
| C | CA | N | 90.0° | 109.9° |
| C | CA | CB | 90.0° | 109.9° |
| C | CA | H22 | 90.0° | 110.0° |
| N | CA | CB | 90.0° | 107.2° |
| CA | N | CD | 90.0° | 108.6° |
| CA | N | H20 | 90.0° | 111.0° |
| N | CA | H22 | 90.0° | 109.9° |
| CA | CB | CG | 90.0° | 103.0° |
| CA | CB | H16 | 90.0° | 110.7° |
| CA | CB | H17 | 90.0° | 110.9° |
| CB | CA | H22 | 90.0° | 109.9° |
| N | CD | CG | 90.0° | 104.8° |
| N | CD | H18 | 90.0° | 110.4° |
| N | CD | H19 | 90.0° | 110.5° |
| CD | N | H20 | 90.0° | 111.0° |
| CD | CG | CB | 90.0° | 101.7° |
| CD | CG | SAO | 90.0° | 111.0° |
| CD | CG | H15 | 90.0° | 111.0° |
| CG | CD | H18 | 90.0° | 110.4° |
| CG | CD | H19 | 90.0° | 110.4° |
| CB | CG | SAO | 90.0° | 111.0° |
| CB | CG | H15 | 90.0° | 111.0° |
| CG | CB | H16 | 90.0° | 110.7° |
| CG | CB | H17 | 90.0° | 110.7° |
| CG | SAO | CAT | 90.0° | 100.0° |
| SAO | CG | H15 | 90.0° | 110.8° |
| OAH | CAP | OAE | 90.0° | 120.0° |
| OAH | CAP | CAS | 90.0° | 120.0° |
| SAO | CAT | CAS | 90.0° | 125.6° |
| SAO | CAT | CAV | 90.0° | 125.6° |
| OAE | CAP | CAS | 90.0° | 120.0° |
| CAP | OAE | H14 | 90.0° | 114.0° |
| CAP | CAS | CAT | 90.0° | 123.7° |
| CAP | CAS | NAN | 90.0° | 123.6° |
| CAS | CAT | CAV | 90.0° | 108.8° |
| CAT | CAS | NAN | 90.0° | 112.7° |
| CAT | CAV | CAB | 90.0° | 110.4° |
| CAT | CAV | CAZ | 90.0° | 104.6° |
| CAT | CAV | H9 | 90.0° | 110.5° |
| CAS | NAN | CAZ | 90.0° | 109.2° |
| CAS | NAN | H13 | 90.0° | 125.4° |
| CAB | CAV | CAZ | 90.0° | 110.4° |
| CAB | CAV | H9 | 90.0° | 110.4° |
| CAV | CAB | H10 | 90.0° | 109.5° |
| CAV | CAB | H11 | 90.0° | 109.5° |
| CAV | CAB | H12 | 90.0° | 109.4° |
| CAV | CAZ | NAN | 90.0° | 104.7° |
| CAV | CAZ | CBA | 90.0° | 110.4° |
| CAV | CAZ | H8 | 90.0° | 110.4° |
| CAZ | CAV | H9 | 90.0° | 110.4° |
| NAN | CAZ | CBA | 90.0° | 110.4° |
| NAN | CAZ | H8 | 90.0° | 110.4° |
| CAZ | NAN | H13 | 90.0° | 125.4° |
| CAZ | CBA | CAQ | 90.0° | 109.5° |
| CAZ | CBA | CAU | 90.0° | 109.5° |
| CAZ | CBA | H6 | 90.0° | 109.5° |
| CBA | CAZ | H8 | 90.0° | 110.4° |
| OAF | CAQ | OAI | 90.0° | 120.0° |
| OAF | CAQ | CBA | 90.0° | 120.0° |
| OAI | CAQ | CBA | 90.0° | 120.0° |
| CAQ | OAI | H7 | 90.0° | 117.0° |
| CAQ | CBA | CAU | 90.0° | 109.5° |
| CAQ | CBA | H6 | 90.0° | 109.5° |
| CBA | CAU | OAJ | 90.0° | 109.5° |
| CBA | CAU | CAA | 90.0° | 109.4° |
| CBA | CAU | H4 | 90.0° | 109.5° |
| CAU | CBA | H6 | 90.0° | 109.5° |
| OAJ | CAU | CAA | 90.0° | 109.5° |
| OAJ | CAU | H4 | 90.0° | 109.5° |
| CAU | OAJ | H5 | 90.0° | 114.0° |
| CAU | CAA | H1 | 90.0° | 109.4° |
| CAU | CAA | H2 | 90.0° | 109.4° |
| CAU | CAA | H3 | 90.0° | 109.5° |
| CAA | CAU | H4 | 90.0° | 109.5° |
| H1 | CAA | H2 | 90.0° | 109.5° |
| H1 | CAA | H3 | 90.0° | 109.5° |
| H2 | CAA | H3 | 90.0° | 109.5° |
| H10 | CAB | H11 | 90.0° | 109.5° |
| H10 | CAB | H12 | 90.0° | 109.5° |
| H11 | CAB | H12 | 90.0° | 109.4° |
| H16 | CB | H17 | 90.0° | 110.6° |
| H18 | CD | H19 | 90.0° | 110.3° |
| H23 | CAD | H24 | 90.0° | 109.5° |
| H23 | CAD | H25 | 90.0° | 109.4° |
| H24 | CAD | H25 | 90.0° | 109.5° |
| H26 | CAC | H27 | 90.0° | 109.4° |
| H26 | CAC | H28 | 90.0° | 109.5° |
| H27 | CAC | H28 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | NAY | CAD | C | 90.0° | 180.0° |
| CAC | NAY | C | CA | 90.0° | 0.0° |
| CAC | NAY | C | O | 90.0° | 180.0° |
| CAC | NAY | CAD | H23 | 90.0° | 90.0° |
| CAC | NAY | CAD | H24 | 90.0° | 30.0° |
| CAC | NAY | CAD | H25 | 90.0° | 150.0° |
| NAY | CAC | H26 | H27 | 90.0° | 119.9° |
| NAY | CAC | H26 | H28 | 90.0° | 120.0° |
| NAY | CAC | H27 | H28 | 90.0° | 120.0° |
| CAD | NAY | C | CA | 90.0° | 180.0° |
| CAD | NAY | C | O | 90.0° | 0.1° |
| NAY | CAD | H23 | H24 | 90.0° | 120.0° |
| NAY | CAD | H23 | H25 | 90.0° | 119.9° |
| NAY | CAD | H24 | H25 | 90.0° | 120.0° |
| CAD | NAY | CAC | H26 | 90.0° | 180.0° |
| CAD | NAY | CAC | H27 | 90.0° | 60.0° |
| CAD | NAY | CAC | H28 | 90.0° | 60.0° |
| NAY | C | CA | O | 90.0° | 180.0° |
| NAY | C | CA | N | 90.0° | 161.5° |
| NAY | C | CA | CB | 90.0° | 80.8° |
| NAY | C | CA | H22 | 90.0° | 40.3° |
| C | NAY | CAD | H23 | 90.0° | 90.0° |
| C | NAY | CAD | H24 | 90.0° | 150.0° |
| C | NAY | CAD | H25 | 90.0° | 29.9° |
| C | NAY | CAC | H26 | 90.0° | 0.0° |
| C | NAY | CAC | H27 | 90.0° | 120.0° |
| C | NAY | CAC | H28 | 90.0° | 120.1° |
| C | CA | N | CB | 90.0° | 119.4° |
| C | CA | N | H22 | 90.0° | 121.3° |
| C | CA | CB | H22 | 90.0° | 121.2° |
| C | CA | N | CD | 90.0° | 118.4° |
| C | CA | CB | CG | 90.0° | 141.7° |
| C | CA | CB | H16 | 90.0° | 99.9° |
| C | CA | CB | H17 | 90.0° | 23.2° |
| C | CA | N | H20 | 90.0° | 119.3° |
| O | C | CA | N | 90.0° | 18.5° |
| O | C | CA | CB | 90.0° | 99.2° |
| O | C | CA | H22 | 90.0° | 139.7° |
| N | CA | CB | H22 | 90.0° | 119.4° |
| CA | N | CD | H20 | 90.0° | 122.3° |
| CA | N | CD | CG | 90.0° | 24.1° |
| N | CA | CB | CG | 90.0° | 22.3° |
| N | CA | CB | H16 | 90.0° | 140.7° |
| N | CA | CB | H17 | 90.0° | 96.2° |
| CA | N | CD | H18 | 90.0° | 94.8° |
| CA | N | CD | H19 | 90.0° | 143.0° |
| CB | CA | N | CD | 90.0° | 1.0° |
| CA | CB | CG | CD | 90.0° | 35.6° |
| CA | CB | CG | H16 | 90.0° | 118.4° |
| CA | CB | CG | H17 | 90.0° | 118.6° |
| CA | CB | CG | SAO | 90.0° | 153.8° |
| CA | CB | CG | H15 | 90.0° | 82.5° |
| CA | CB | H16 | H17 | 90.0° | 123.3° |
| CB | CA | N | H20 | 90.0° | 121.3° |
| N | CD | CG | H18 | 90.0° | 118.9° |
| N | CD | CG | H19 | 90.0° | 119.0° |
| N | CD | CG | CB | 90.0° | 37.1° |
| N | CD | CG | SAO | 90.0° | 155.2° |
| N | CD | CG | H15 | 90.0° | 81.1° |
| N | CD | H18 | H19 | 90.0° | 122.4° |
| CD | N | CA | H22 | 90.0° | 120.3° |
| CD | CG | CB | SAO | 90.0° | 118.1° |
| CD | CG | CB | H15 | 90.0° | 118.1° |
| CD | CG | SAO | H15 | 90.0° | 123.8° |
| CD | CG | SAO | CAT | 90.0° | 77.9° |
| CD | CG | CB | H16 | 90.0° | 154.0° |
| CD | CG | CB | H17 | 90.0° | 83.0° |
| CG | CD | H18 | H19 | 90.0° | 122.2° |
| CG | CD | N | H20 | 90.0° | 98.2° |
| CB | CG | SAO | H15 | 90.0° | 123.8° |
| CB | CG | SAO | CAT | 90.0° | 169.8° |
| CG | CB | H16 | H17 | 90.0° | 123.1° |
| CB | CG | CD | H18 | 90.0° | 81.8° |
| CB | CG | CD | H19 | 90.0° | 156.0° |
| CG | CB | CA | H22 | 90.0° | 97.1° |
| CG | SAO | CAT | CAS | 90.0° | 114.6° |
| CG | SAO | CAT | CAV | 90.0° | 65.4° |
| SAO | CG | CB | H16 | 90.0° | 87.8° |
| SAO | CG | CB | H17 | 90.0° | 35.2° |
| SAO | CG | CD | H18 | 90.0° | 36.3° |
| SAO | CG | CD | H19 | 90.0° | 85.8° |
| OAH | CAP | OAE | CAS | 90.0° | 180.0° |
| OAH | CAP | CAS | CAT | 90.0° | 5.2° |
| OAH | CAP | CAS | NAN | 90.0° | 174.8° |
| OAH | CAP | OAE | H14 | 90.0° | 0.0° |
| SAO | CAT | CAS | CAP | 90.0° | 0.0° |
| SAO | CAT | CAS | CAV | 90.0° | 180.0° |
| SAO | CAT | CAS | NAN | 90.0° | 180.0° |
| SAO | CAT | CAV | CAB | 90.0° | 61.2° |
| SAO | CAT | CAV | CAZ | 90.0° | 180.0° |
| SAO | CAT | CAV | H9 | 90.0° | 61.2° |
| CAT | SAO | CG | H15 | 90.0° | 46.0° |
| OAE | CAP | CAS | CAT | 90.0° | 174.8° |
| OAE | CAP | CAS | NAN | 90.0° | 5.2° |
| CAP | CAS | CAT | NAN | 90.0° | 180.0° |
| CAP | CAS | CAT | CAV | 90.0° | 180.0° |
| CAP | CAS | NAN | CAZ | 90.0° | 180.0° |
| CAP | CAS | NAN | H13 | 90.0° | 0.0° |
| CAS | CAP | OAE | H14 | 90.0° | 180.0° |
| CAS | CAT | CAV | CAB | 90.0° | 118.8° |
| CAS | CAT | CAV | CAZ | 90.0° | 0.0° |
| CAT | CAS | NAN | CAZ | 90.0° | 0.0° |
| CAS | CAT | CAV | H9 | 90.0° | 118.8° |
| CAT | CAS | NAN | H13 | 90.0° | 180.0° |
| CAV | CAT | CAS | NAN | 90.0° | 0.0° |
| CAT | CAV | CAB | CAZ | 90.0° | 115.1° |
| CAT | CAV | CAB | H9 | 90.0° | 122.5° |
| CAT | CAV | CAZ | H9 | 90.0° | 118.9° |
| CAT | CAV | CAZ | NAN | 90.0° | 0.0° |
| CAT | CAV | CAZ | CBA | 90.0° | 118.8° |
| CAT | CAV | CAZ | H8 | 90.0° | 118.9° |
| CAT | CAV | CAB | H10 | 90.0° | 47.3° |
| CAT | CAV | CAB | H11 | 90.0° | 72.8° |
| CAT | CAV | CAB | H12 | 90.0° | 167.3° |
| CAS | NAN | CAZ | CAV | 90.0° | 0.0° |
| CAS | NAN | CAZ | H13 | 90.0° | 180.0° |
| CAS | NAN | CAZ | CBA | 90.0° | 118.8° |
| CAS | NAN | CAZ | H8 | 90.0° | 118.9° |
| CAB | CAV | CAZ | H9 | 90.0° | 122.4° |
| CAB | CAV | CAZ | NAN | 90.0° | 118.8° |
| CAB | CAV | CAZ | CBA | 90.0° | 0.0° |
| CAB | CAV | CAZ | H8 | 90.0° | 122.4° |
| CAV | CAB | H10 | H11 | 90.0° | 120.0° |
| CAV | CAB | H10 | H12 | 90.0° | 120.0° |
| CAV | CAB | H11 | H12 | 90.0° | 120.0° |
| CAV | CAZ | NAN | CBA | 90.0° | 118.8° |
| CAV | CAZ | NAN | H8 | 90.0° | 118.9° |
| CAV | CAZ | CBA | H8 | 90.0° | 122.4° |
| CAV | CAZ | CBA | CAQ | 90.0° | 66.9° |
| CAV | CAZ | CBA | CAU | 90.0° | 173.1° |
| CAV | CAZ | CBA | H6 | 90.0° | 53.2° |
| CAZ | CAV | CAB | H10 | 90.0° | 67.9° |
| CAZ | CAV | CAB | H11 | 90.0° | 172.1° |
| CAZ | CAV | CAB | H12 | 90.0° | 52.1° |
| CAV | CAZ | NAN | H13 | 90.0° | 179.9° |
| NAN | CAZ | CBA | H8 | 90.0° | 122.3° |
| NAN | CAZ | CBA | CAQ | 90.0° | 48.4° |
| NAN | CAZ | CBA | CAU | 90.0° | 71.5° |
| NAN | CAZ | CBA | H6 | 90.0° | 168.5° |
| NAN | CAZ | CAV | H9 | 90.0° | 118.8° |
| CAZ | CBA | CAQ | OAF | 90.0° | 13.6° |
| CAZ | CBA | CAQ | OAI | 90.0° | 166.4° |
| CAZ | CBA | CAQ | CAU | 90.0° | 120.0° |
| CAZ | CBA | CAQ | H6 | 90.0° | 120.0° |
| CAZ | CBA | CAU | H6 | 90.0° | 120.0° |
| CAZ | CBA | CAU | OAJ | 90.0° | 54.5° |
| CAZ | CBA | CAU | CAA | 90.0° | 65.5° |
| CAZ | CBA | CAU | H4 | 90.0° | 174.5° |
| CBA | CAZ | CAV | H9 | 90.0° | 122.4° |
| CBA | CAZ | NAN | H13 | 90.0° | 61.2° |
| OAF | CAQ | OAI | CBA | 90.0° | 180.0° |
| OAF | CAQ | CBA | CAU | 90.0° | 106.4° |
| OAF | CAQ | CBA | H6 | 90.0° | 133.6° |
| OAF | CAQ | OAI | H7 | 90.0° | 0.0° |
| OAI | CAQ | CBA | CAU | 90.0° | 73.6° |
| OAI | CAQ | CBA | H6 | 90.0° | 46.4° |
| CAQ | CBA | CAU | H6 | 90.0° | 120.0° |
| CAQ | CBA | CAU | OAJ | 90.0° | 65.5° |
| CAQ | CBA | CAU | CAA | 90.0° | 174.5° |
| CAQ | CBA | CAU | H4 | 90.0° | 54.5° |
| CBA | CAQ | OAI | H7 | 90.0° | 180.0° |
| CAQ | CBA | CAZ | H8 | 90.0° | 170.8° |
| CBA | CAU | OAJ | CAA | 90.0° | 120.0° |
| CBA | CAU | OAJ | H4 | 90.0° | 120.0° |
| CBA | CAU | CAA | H4 | 90.0° | 120.0° |
| CBA | CAU | CAA | H1 | 90.0° | 180.0° |
| CBA | CAU | CAA | H2 | 90.0° | 60.0° |
| CBA | CAU | CAA | H3 | 90.0° | 60.0° |
| CBA | CAU | OAJ | H5 | 90.0° | 74.6° |
| CAU | CBA | CAZ | H8 | 90.0° | 50.8° |
| OAJ | CAU | CAA | H4 | 90.0° | 120.0° |
| OAJ | CAU | CAA | H1 | 90.0° | 60.0° |
| OAJ | CAU | CAA | H2 | 90.0° | 180.0° |
| OAJ | CAU | CAA | H3 | 90.0° | 60.0° |
| OAJ | CAU | CBA | H6 | 90.0° | 174.5° |
| CAU | CAA | H1 | H2 | 90.0° | 119.9° |
| CAU | CAA | H1 | H3 | 90.0° | 120.0° |
| CAU | CAA | H2 | H3 | 90.0° | 120.0° |
| CAA | CAU | OAJ | H5 | 90.0° | 45.4° |
| CAA | CAU | CBA | H6 | 90.0° | 54.5° |
| H1 | CAA | H2 | H3 | 90.0° | 120.1° |
| H1 | CAA | CAU | H4 | 90.0° | 60.0° |
| H2 | CAA | CAU | H4 | 90.0° | 60.0° |
| H3 | CAA | CAU | H4 | 90.0° | 180.0° |
| H4 | CAU | OAJ | H5 | 90.0° | 165.4° |
| H4 | CAU | CBA | H6 | 90.0° | 65.5° |
| H6 | CBA | CAZ | H8 | 90.0° | 69.2° |
| H8 | CAZ | CAV | H9 | 90.0° | 0.0° |
| H8 | CAZ | NAN | H13 | 90.0° | 61.1° |
| H9 | CAV | CAB | H10 | 90.0° | 169.8° |
| H9 | CAV | CAB | H11 | 90.0° | 49.7° |
| H9 | CAV | CAB | H12 | 90.0° | 70.2° |
| H10 | CAB | H11 | H12 | 90.0° | 120.0° |
| H15 | CG | CB | H16 | 90.0° | 35.9° |
| H15 | CG | CB | H17 | 90.0° | 158.9° |
| H15 | CG | CD | H18 | 90.0° | 160.1° |
| H15 | CG | CD | H19 | 90.0° | 37.9° |
| H16 | CB | CA | H22 | 90.0° | 21.3° |
| H17 | CB | CA | H22 | 90.0° | 144.4° |
| H18 | CD | N | H20 | 90.0° | 142.9° |
| H19 | CD | N | H20 | 90.0° | 20.7° |
| H20 | N | CA | H22 | 90.0° | 2.0° |
| H23 | CAD | H24 | H25 | 90.0° | 120.0° |
| H26 | CAC | H27 | H28 | 90.0° | 120.1° |






