602
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAS | doub | 1.21Å | 1.21Å | |
| OAN | CAM | doub | 1.21Å | 1.19Å | |
| NAW | CAV | sing | 1.48Å | 1.50Å | |
| NAW | CAX | sing | 1.48Å | 1.50Å | |
| CAM | N | sing | 1.35Å | 1.39Å | |
| CAV | CAT | sing | 1.54Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| CAS | CAT | sing | 1.51Å | 1.49Å | |
| CAS | NAR | sing | 1.35Å | 1.33Å | |
| CAX | CAT | sing | 1.54Å | 1.54Å | |
| N | CAD | sing | 1.47Å | 1.45Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| C | NAQ | sing | 1.35Å | 1.32Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| NAR | NAQ | sing | 1.40Å | 1.37Å | |
| CAD | CAE | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CAE | CAF | sing | 1.53Å | 1.50Å | |
| CAE | NAG | sing | 1.47Å | 1.55Å | |
| CB | CAF | sing | 1.53Å | 1.51Å | |
| OAL | SAI | doub | 1.42Å | 1.38Å | |
| OAH | NAG | sing | 1.46Å | 1.30Å | |
| OAH | SAI | sing | 1.52Å | 1.50Å | |
| SAI | OAK | doub | 1.42Å | 1.36Å | |
| SAI | OAJ | sing | 1.52Å | 1.38Å | |
| NAG | H1 | sing | 1.01Å | 1.00Å | |
| CAE | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CAD | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| CAT | H13 | sing | 1.09Å | 1.10Å | |
| CAV | H14 | sing | 1.09Å | 1.10Å | |
| CAV | H15 | sing | 1.09Å | 1.10Å | |
| NAW | H16 | sing | 1.01Å | 1.00Å | |
| CAX | H18 | sing | 1.09Å | 1.10Å | |
| CAX | H19 | sing | 1.09Å | 1.10Å | |
| OAJ | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | CAS | CAT | 121.5° | 120.0° |
| OAU | CAS | NAR | 121.8° | 120.0° |
| OAN | CAM | N | 116.8° | 120.0° |
| OAN | CAM | H9 | 121.6° | 120.0° |
| CAV | NAW | CAX | 91.1° | 90.8° |
| NAW | CAV | CAT | 89.6° | 86.2° |
| NAW | CAV | H14 | 114.2° | 113.8° |
| NAW | CAV | H15 | 114.2° | 113.8° |
| CAV | NAW | H16 | 113.8° | 111.0° |
| NAW | CAX | CAT | 89.6° | 86.1° |
| CAX | NAW | H16 | 113.9° | 110.9° |
| NAW | CAX | H18 | 114.2° | 113.8° |
| NAW | CAX | H19 | 114.2° | 113.7° |
| CAM | N | CAD | 122.1° | 120.6° |
| CAM | N | CA | 121.5° | 120.6° |
| N | CAM | H9 | 121.6° | 120.0° |
| CAV | CAT | CAS | 124.3° | 113.7° |
| CAV | CAT | CAX | 87.8° | 86.5° |
| CAV | CAT | H13 | 108.9° | 113.7° |
| CAT | CAV | H14 | 114.2° | 113.8° |
| CAT | CAV | H15 | 114.2° | 113.7° |
| O | C | NAQ | 121.4° | 120.0° |
| O | C | CA | 121.0° | 120.0° |
| CAT | CAS | NAR | 116.7° | 120.0° |
| CAS | CAT | CAX | 115.3° | 113.7° |
| CAS | CAT | H13 | 109.5° | 112.9° |
| CAS | NAR | NAQ | 124.2° | 120.0° |
| CAS | NAR | H12 | 117.9° | 120.0° |
| CAX | CAT | H13 | 108.9° | 113.7° |
| CAT | CAX | H18 | 114.2° | 113.7° |
| CAT | CAX | H19 | 114.2° | 113.9° |
| CAD | N | CA | 116.4° | 118.7° |
| N | CAD | CAE | 109.9° | 108.8° |
| N | CAD | H7 | 109.4° | 109.6° |
| N | CAD | H8 | 109.4° | 109.7° |
| N | CA | C | 117.0° | 109.6° |
| N | CA | CB | 109.3° | 108.8° |
| N | CA | H10 | 108.9° | 109.6° |
| NAQ | C | CA | 117.6° | 120.0° |
| C | NAQ | NAR | 115.0° | 120.0° |
| C | NAQ | H11 | 122.5° | 120.1° |
| C | CA | CB | 104.7° | 109.6° |
| C | CA | H10 | 108.1° | 109.7° |
| NAR | NAQ | H11 | 122.5° | 119.9° |
| NAQ | NAR | H12 | 117.9° | 120.0° |
| CAD | CAE | CAF | 105.8° | 109.3° |
| CAD | CAE | NAG | 123.0° | 109.5° |
| CAD | CAE | H2 | 105.5° | 109.5° |
| CAE | CAD | H7 | 109.4° | 109.6° |
| CAE | CAD | H8 | 109.3° | 109.6° |
| CA | CB | CAF | 111.3° | 109.3° |
| CA | CB | H5 | 109.0° | 109.5° |
| CA | CB | H6 | 109.0° | 109.5° |
| CB | CA | H10 | 108.5° | 109.6° |
| CAF | CAE | NAG | 110.3° | 109.5° |
| CAE | CAF | CB | 112.0° | 109.5° |
| CAF | CAE | H2 | 105.8° | 109.5° |
| CAE | CAF | H3 | 108.8° | 109.5° |
| CAE | CAF | H4 | 108.8° | 109.4° |
| CAE | NAG | OAH | 111.0° | 111.0° |
| CAE | NAG | H1 | 109.1° | 111.0° |
| NAG | CAE | H2 | 105.2° | 109.5° |
| CB | CAF | H3 | 108.8° | 109.5° |
| CB | CAF | H4 | 108.8° | 109.5° |
| CAF | CB | H5 | 109.0° | 109.5° |
| CAF | CB | H6 | 109.0° | 109.6° |
| OAL | SAI | OAH | 92.3° | 106.4° |
| OAL | SAI | OAK | 116.1° | 123.2° |
| OAL | SAI | OAJ | 111.6° | 106.4° |
| NAG | OAH | SAI | 121.1° | 114.0° |
| OAH | NAG | H1 | 109.1° | 111.0° |
| OAH | SAI | OAK | 110.2° | 106.4° |
| OAH | SAI | OAJ | 104.6° | 107.2° |
| OAK | SAI | OAJ | 118.2° | 106.4° |
| SAI | OAJ | H20 | 109.5° | 114.0° |
| H3 | CAF | H4 | 109.4° | 109.5° |
| H5 | CB | H6 | 109.5° | 109.5° |
| H7 | CAD | H8 | 109.4° | 109.5° |
| H14 | CAV | H15 | 109.5° | 113.0° |
| H18 | CAX | H19 | 109.4° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAS | CAT | CAV | 61.9° | 1.9° |
| OAU | CAS | CAT | NAR | 178.8° | 180.0° |
| OAU | CAS | CAT | CAX | 43.8° | 98.7° |
| OAU | CAS | NAR | NAQ | 24.8° | 0.0° |
| OAU | CAS | NAR | H12 | 155.2° | 180.0° |
| OAU | CAS | CAT | H13 | 167.0° | 129.7° |
| OAN | CAM | N | H9 | 180.0° | 180.0° |
| OAN | CAM | N | CAD | 174.9° | 5.4° |
| OAN | CAM | N | CA | 2.3° | 174.6° |
| CAV | NAW | CAX | H16 | 116.8° | 112.9° |
| NAW | CAV | CAT | H14 | 116.5° | 114.3° |
| NAW | CAV | CAT | H15 | 116.5° | 114.4° |
| NAW | CAV | CAT | CAS | 109.3° | 138.1° |
| CAV | NAW | CAX | CAT | 10.4° | 24.6° |
| NAW | CAV | CAT | H13 | 119.3° | 90.8° |
| NAW | CAV | H14 | H15 | 129.4° | 131.8° |
| CAV | NAW | CAX | H18 | 106.1° | 89.7° |
| CAV | NAW | CAX | H19 | 126.9° | 139.0° |
| NAW | CAX | CAT | CAS | 117.2° | 138.1° |
| NAW | CAX | CAT | H18 | 116.5° | 114.3° |
| NAW | CAX | CAT | H19 | 116.5° | 114.3° |
| NAW | CAX | CAT | H13 | 119.3° | 90.8° |
| CAX | NAW | CAV | H14 | 126.9° | 138.9° |
| CAX | NAW | CAV | H15 | 106.1° | 89.7° |
| NAW | CAX | H18 | H19 | 129.4° | 131.7° |
| CAM | N | CAD | CA | 177.4° | 180.0° |
| CAM | N | CA | C | 116.5° | 6.6° |
| CAM | N | CAD | CAE | 118.9° | 126.4° |
| CAM | N | CA | CB | 124.8° | 126.4° |
| CAM | N | CAD | H7 | 1.2° | 6.6° |
| CAM | N | CAD | H8 | 121.1° | 113.7° |
| CAM | N | CA | H10 | 6.4° | 113.8° |
| CAV | CAT | CAS | CAX | 105.7° | 96.9° |
| CAV | CAT | CAS | H13 | 131.1° | 131.5° |
| CAV | CAT | CAS | NAR | 116.8° | 178.1° |
| CAV | CAT | CAX | H13 | 109.2° | 114.4° |
| CAT | CAV | H14 | H15 | 129.4° | 131.7° |
| CAT | CAV | NAW | H16 | 127.2° | 88.3° |
| CAV | CAT | CAX | H18 | 106.4° | 90.7° |
| CAV | CAT | CAX | H19 | 126.6° | 137.9° |
| O | C | CA | N | 7.3° | 45.3° |
| O | C | NAQ | CA | 179.6° | 180.0° |
| O | C | NAQ | NAR | 14.8° | 0.0° |
| O | C | CA | CB | 113.8° | 74.0° |
| O | C | CA | H10 | 130.6° | 165.6° |
| O | C | NAQ | H11 | 165.2° | 180.0° |
| CAS | CAT | CAX | H13 | 123.5° | 131.2° |
| CAT | CAS | NAR | NAQ | 156.4° | 180.0° |
| CAT | CAS | NAR | H12 | 23.5° | 0.0° |
| CAS | CAT | CAV | H14 | 7.2° | 107.6° |
| CAS | CAT | CAV | H15 | 134.2° | 23.7° |
| CAS | CAT | CAX | H18 | 126.3° | 23.7° |
| CAS | CAT | CAX | H19 | 0.7° | 107.7° |
| NAR | CAS | CAT | CAX | 137.4° | 81.2° |
| CAS | NAR | NAQ | C | 118.0° | 180.0° |
| CAS | NAR | NAQ | H12 | 180.0° | 180.0° |
| CAS | NAR | NAQ | H11 | 62.0° | 0.0° |
| NAR | CAS | CAT | H13 | 14.3° | 50.3° |
| CAX | CAT | CAV | H14 | 126.6° | 138.0° |
| CAX | CAT | CAV | H15 | 106.4° | 90.7° |
| CAT | CAX | NAW | H16 | 127.2° | 88.3° |
| CAT | CAX | H18 | H19 | 129.4° | 131.8° |
| CAD | N | CA | C | 66.1° | 173.4° |
| N | CAD | CAE | H7 | 120.1° | 119.8° |
| N | CAD | CAE | H8 | 120.1° | 119.9° |
| CAD | N | CA | CB | 52.6° | 53.6° |
| N | CAD | CAE | CAF | 59.0° | 54.6° |
| N | CAD | CAE | NAG | 68.9° | 174.6° |
| N | CAD | CAE | H2 | 170.8° | 65.4° |
| N | CAD | H7 | H8 | 119.8° | 120.4° |
| CAD | N | CAM | H9 | 5.1° | 174.7° |
| CAD | N | CA | H10 | 171.0° | 66.2° |
| N | CA | C | NAQ | 173.1° | 134.7° |
| N | CA | C | CB | 121.2° | 119.3° |
| N | CA | C | H10 | 123.3° | 120.4° |
| CA | N | CAD | CAE | 58.5° | 53.6° |
| N | CA | CB | H10 | 118.6° | 119.8° |
| N | CA | CB | CAF | 49.9° | 54.7° |
| N | CA | CB | H5 | 170.1° | 174.6° |
| N | CA | CB | H6 | 70.4° | 65.4° |
| CA | N | CAD | H7 | 178.6° | 173.4° |
| CA | N | CAD | H8 | 61.6° | 66.3° |
| CA | N | CAM | H9 | 177.7° | 5.4° |
| C | NAQ | NAR | H11 | 180.0° | 180.0° |
| NAQ | C | CA | CB | 65.8° | 106.0° |
| NAQ | C | CA | H10 | 49.8° | 14.4° |
| C | NAQ | NAR | H12 | 62.0° | 0.0° |
| CA | C | NAQ | NAR | 164.8° | 180.0° |
| C | CA | CB | H10 | 115.3° | 120.4° |
| C | CA | CB | CAF | 76.2° | 174.5° |
| C | CA | CB | H5 | 44.0° | 65.6° |
| C | CA | CB | H6 | 163.5° | 54.4° |
| CA | C | NAQ | H11 | 15.3° | 0.0° |
| CAD | CAE | CAF | NAG | 135.1° | 120.0° |
| CAD | CAE | CAF | H2 | 111.6° | 120.0° |
| CAD | CAE | NAG | H2 | 120.4° | 120.1° |
| CAD | CAE | CAF | CB | 60.4° | 61.4° |
| CAD | CAE | NAG | OAH | 52.8° | 59.9° |
| CAD | CAE | NAG | H1 | 67.4° | 64.1° |
| CAD | CAE | CAF | H3 | 179.2° | 58.7° |
| CAD | CAE | CAF | H4 | 60.0° | 178.6° |
| CAE | CAD | H7 | H8 | 119.8° | 120.3° |
| CA | CB | CAF | CAE | 57.9° | 61.4° |
| CA | CB | CAF | H5 | 120.3° | 119.9° |
| CA | CB | CAF | H6 | 120.3° | 120.0° |
| CA | CB | CAF | H3 | 178.3° | 58.6° |
| CA | CB | CAF | H4 | 62.4° | 178.6° |
| CA | CB | H5 | H6 | 119.2° | 120.1° |
| CAF | CAE | NAG | H2 | 113.6° | 120.1° |
| CAE | CAF | CB | H3 | 120.4° | 120.0° |
| CAE | CAF | CB | H4 | 120.4° | 120.0° |
| CAF | CAE | NAG | OAH | 73.1° | 60.0° |
| CAF | CAE | NAG | H1 | 166.6° | 176.0° |
| CAE | CAF | H3 | H4 | 118.8° | 120.0° |
| CAE | CAF | CB | H5 | 178.2° | 178.7° |
| CAE | CAF | CB | H6 | 62.3° | 58.6° |
| CAF | CAE | CAD | H7 | 179.1° | 174.4° |
| CAF | CAE | CAD | H8 | 61.1° | 65.3° |
| NAG | CAE | CAF | CB | 74.7° | 178.7° |
| CAE | NAG | OAH | H1 | 120.3° | 124.0° |
| CAE | NAG | OAH | SAI | 162.4° | 180.0° |
| NAG | CAE | CAF | H3 | 45.7° | 61.3° |
| NAG | CAE | CAF | H4 | 164.9° | 58.7° |
| NAG | CAE | CAD | H7 | 51.2° | 65.6° |
| NAG | CAE | CAD | H8 | 171.0° | 54.7° |
| CB | CAF | CAE | H2 | 172.0° | 58.6° |
| CB | CAF | H3 | H4 | 118.8° | 120.0° |
| CAF | CB | H5 | H6 | 119.1° | 120.1° |
| CAF | CB | CA | H10 | 168.5° | 65.1° |
| OAL | SAI | OAH | NAG | 171.2° | 171.5° |
| OAL | SAI | OAH | OAK | 118.9° | 132.9° |
| OAL | SAI | OAH | OAJ | 113.0° | 113.5° |
| OAL | SAI | OAK | OAJ | 136.7° | 122.9° |
| OAL | SAI | OAJ | H20 | 0.0° | 66.5° |
| NAG | OAH | SAI | OAK | 52.3° | 38.5° |
| NAG | OAH | SAI | OAJ | 75.8° | 75.0° |
| OAH | NAG | CAE | H2 | 173.3° | 180.0° |
| OAH | SAI | OAK | OAJ | 120.1° | 114.1° |
| SAI | OAH | NAG | H1 | 77.3° | 56.0° |
| OAH | SAI | OAJ | H20 | 98.5° | 180.0° |
| OAK | SAI | OAJ | H20 | 138.5° | 66.4° |
| H1 | NAG | CAE | H2 | 53.0° | 56.0° |
| H2 | CAE | CAF | H3 | 67.6° | 178.7° |
| H2 | CAE | CAF | H4 | 51.6° | 61.3° |
| H2 | CAE | CAD | H7 | 69.1° | 54.4° |
| H2 | CAE | CAD | H8 | 50.7° | 174.7° |
| H3 | CAF | CB | H5 | 61.4° | 61.3° |
| H3 | CAF | CB | H6 | 58.1° | 178.7° |
| H4 | CAF | CB | H5 | 57.8° | 58.7° |
| H4 | CAF | CB | H6 | 177.3° | 61.3° |
| H5 | CB | CA | H10 | 71.3° | 54.8° |
| H6 | CB | CA | H10 | 48.2° | 174.8° |
| H11 | NAQ | NAR | H12 | 118.0° | 180.0° |
| H13 | CAT | CAV | H14 | 124.2° | 23.5° |
| H13 | CAT | CAV | H15 | 2.8° | 154.9° |
| H13 | CAT | CAX | H18 | 2.8° | 154.9° |
| H13 | CAT | CAX | H19 | 124.2° | 23.5° |
| H14 | CAV | NAW | H16 | 116.3° | 26.1° |
| H15 | CAV | NAW | H16 | 10.7° | 157.4° |
| H16 | NAW | CAX | H18 | 10.7° | 157.5° |
| H16 | NAW | CAX | H19 | 116.3° | 26.1° |
