SJQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAA | CAB | sing | 1.40Å | 1.36Å | |
| CAG | CAF | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| CAF | CAB | sing | 1.53Å | 1.52Å | |
| CAB | FAE | sing | 1.40Å | 1.36Å | |
| CAB | CAC | sing | 1.53Å | 1.51Å | |
| CAD | CAH | sing | 1.53Å | 1.52Å | |
| CAD | CAC | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.18Å | |
| CAI | NAJ | sing | 1.47Å | 1.44Å | |
| C | NAJ | sing | 1.33Å | 1.44Å | |
| C | CA | sing | 1.50Å | 1.50Å | |
| NAJ | CAK | sing | 1.46Å | 1.45Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAL | N | sing | 1.47Å | 1.45Å | |
| N | CAP | sing | 1.38Å | 1.44Å | |
| CAP | CAQ | sing | 1.41Å | 1.43Å | |
| CAP | CAT | doub | 1.38Å | 1.36Å | |
| CL | CAT | sing | 1.74Å | 1.78Å | |
| CAQ | NAR | doub | 1.30Å | 1.39Å | |
| CAT | CAV | sing | 1.40Å | 1.44Å | |
| NAR | NAS | sing | 1.40Å | 1.42Å | |
| CAV | NAS | sing | 1.35Å | 1.39Å | |
| CAV | OAW | doub | 1.22Å | 1.40Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAD | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAL | H17 | sing | 1.09Å | 1.10Å | |
| CAQ | H18 | sing | 1.08Å | 1.08Å | |
| NAS | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAA | CAB | CAF | 108.6° | 109.5° |
| FAA | CAB | FAE | 109.8° | 109.5° |
| FAA | CAB | CAC | 107.7° | 109.4° |
| CAF | CAG | CAH | 110.0° | 109.5° |
| CAG | CAF | CAB | 114.0° | 109.4° |
| CAG | CAF | H7 | 108.3° | 109.5° |
| CAG | CAF | H8 | 108.3° | 109.5° |
| CAF | CAG | H9 | 109.3° | 109.4° |
| CAF | CAG | H10 | 109.3° | 109.5° |
| CAG | CAH | CAD | 108.2° | 109.5° |
| CAG | CAH | CAI | 108.8° | 109.5° |
| CAH | CAG | H9 | 109.3° | 109.4° |
| CAH | CAG | H10 | 109.3° | 109.5° |
| CAG | CAH | H11 | 110.3° | 109.5° |
| CAF | CAB | FAE | 108.2° | 109.5° |
| CAF | CAB | CAC | 114.2° | 109.5° |
| CAB | CAF | H7 | 108.3° | 109.5° |
| CAB | CAF | H8 | 108.3° | 109.4° |
| FAE | CAB | CAC | 108.4° | 109.5° |
| CAB | CAC | CAD | 113.6° | 109.5° |
| CAB | CAC | H3 | 108.4° | 109.5° |
| CAB | CAC | H4 | 108.4° | 109.5° |
| CAH | CAD | CAC | 110.0° | 109.5° |
| CAD | CAH | CAI | 108.5° | 109.5° |
| CAH | CAD | H5 | 109.3° | 109.5° |
| CAH | CAD | H6 | 109.3° | 109.4° |
| CAD | CAH | H11 | 110.5° | 109.5° |
| CAD | CAC | H3 | 108.4° | 109.4° |
| CAD | CAC | H4 | 108.4° | 109.4° |
| CAC | CAD | H5 | 109.3° | 109.5° |
| CAC | CAD | H6 | 109.3° | 109.5° |
| CAH | CAI | NAJ | 111.7° | 109.5° |
| CAI | CAH | H11 | 110.6° | 109.5° |
| CAH | CAI | H12 | 108.9° | 109.5° |
| CAH | CAI | H13 | 108.9° | 109.5° |
| O | C | NAJ | 118.8° | 118.5° |
| O | C | CA | 119.8° | 118.5° |
| CAI | NAJ | C | 118.6° | 117.7° |
| CAI | NAJ | CAK | 119.2° | 117.7° |
| NAJ | CAI | H12 | 108.9° | 109.5° |
| NAJ | CAI | H13 | 108.9° | 109.5° |
| NAJ | C | CA | 121.4° | 123.0° |
| C | NAJ | CAK | 122.2° | 124.6° |
| C | CA | N | 111.8° | 108.9° |
| C | CA | H1 | 108.9° | 109.6° |
| C | CA | H2 | 108.9° | 109.7° |
| NAJ | CAK | CAL | 110.1° | 110.7° |
| NAJ | CAK | H14 | 109.3° | 109.3° |
| NAJ | CAK | H15 | 109.3° | 109.2° |
| CA | N | CAL | 118.2° | 117.3° |
| CA | N | CAP | 121.1° | 121.4° |
| N | CA | H1 | 108.9° | 109.5° |
| N | CA | H2 | 108.9° | 109.6° |
| CAK | CAL | N | 111.1° | 108.2° |
| CAL | CAK | H14 | 109.3° | 109.2° |
| CAL | CAK | H15 | 109.3° | 109.3° |
| CAK | CAL | H16 | 109.0° | 109.8° |
| CAK | CAL | H17 | 109.1° | 109.7° |
| CAL | N | CAP | 119.0° | 121.4° |
| N | CAL | H16 | 109.1° | 109.7° |
| N | CAL | H17 | 109.0° | 109.8° |
| N | CAP | CAQ | 119.8° | 120.3° |
| N | CAP | CAT | 119.7° | 120.3° |
| CAQ | CAP | CAT | 120.5° | 119.4° |
| CAP | CAQ | NAR | 120.0° | 120.4° |
| CAP | CAQ | H18 | 120.0° | 119.8° |
| CAP | CAT | CL | 121.3° | 120.5° |
| CAP | CAT | CAV | 119.5° | 119.0° |
| CL | CAT | CAV | 119.2° | 120.5° |
| CAQ | NAR | NAS | 119.9° | 121.1° |
| NAR | CAQ | H18 | 120.0° | 119.8° |
| CAT | CAV | NAS | 120.1° | 119.6° |
| CAT | CAV | OAW | 120.0° | 120.2° |
| NAR | NAS | CAV | 120.0° | 120.5° |
| NAR | NAS | H19 | 120.0° | 119.8° |
| NAS | CAV | OAW | 119.8° | 120.2° |
| CAV | NAS | H19 | 120.0° | 119.7° |
| H1 | CA | H2 | 109.5° | 109.6° |
| H3 | CAC | H4 | 109.5° | 109.5° |
| H5 | CAD | H6 | 109.5° | 109.5° |
| H7 | CAF | H8 | 109.5° | 109.5° |
| H9 | CAG | H10 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.4° |
| H14 | CAK | H15 | 109.5° | 109.2° |
| H16 | CAL | H17 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAA | CAB | CAF | CAG | 77.6° | 180.0° |
| FAA | CAB | CAF | FAE | 119.1° | 120.0° |
| FAA | CAB | CAF | CAC | 120.2° | 120.0° |
| FAA | CAB | FAE | CAC | 117.3° | 120.0° |
| FAA | CAB | CAC | CAD | 76.3° | 180.0° |
| FAA | CAB | CAC | H3 | 163.0° | 60.0° |
| FAA | CAB | CAC | H4 | 44.3° | 60.1° |
| FAA | CAB | CAF | H7 | 161.8° | 60.0° |
| FAA | CAB | CAF | H8 | 43.1° | 60.0° |
| CAF | CAG | CAH | H9 | 120.1° | 119.9° |
| CAF | CAG | CAH | H10 | 120.1° | 120.1° |
| CAG | CAF | CAB | H7 | 120.7° | 120.0° |
| CAG | CAF | CAB | H8 | 120.7° | 120.0° |
| CAG | CAF | CAB | FAE | 163.3° | 60.0° |
| CAG | CAF | CAB | CAC | 42.6° | 60.0° |
| CAF | CAG | CAH | CAD | 61.3° | 60.0° |
| CAF | CAG | CAH | CAI | 56.3° | 179.9° |
| CAG | CAF | H7 | H8 | 117.9° | 120.1° |
| CAF | CAG | H9 | H10 | 119.7° | 120.0° |
| CAF | CAG | CAH | H11 | 177.8° | 59.9° |
| CAH | CAG | CAF | CAB | 51.3° | 60.0° |
| CAG | CAH | CAD | CAI | 117.8° | 120.0° |
| CAG | CAH | CAD | H11 | 120.8° | 120.0° |
| CAG | CAH | CAD | CAC | 63.4° | 60.0° |
| CAG | CAH | CAI | H11 | 121.2° | 120.0° |
| CAG | CAH | CAI | NAJ | 112.6° | 65.0° |
| CAG | CAH | CAD | H5 | 56.7° | 60.0° |
| CAG | CAH | CAD | H6 | 176.5° | 180.0° |
| CAH | CAG | CAF | H7 | 69.4° | 59.9° |
| CAH | CAG | CAF | H8 | 171.9° | 180.0° |
| CAH | CAG | H9 | H10 | 119.7° | 120.0° |
| CAG | CAH | CAI | H12 | 7.7° | 55.0° |
| CAG | CAH | CAI | H13 | 127.0° | 175.0° |
| CAF | CAB | FAE | CAC | 124.3° | 120.0° |
| CAF | CAB | CAC | CAD | 44.4° | 60.0° |
| CAF | CAB | CAC | H3 | 76.3° | 180.0° |
| CAF | CAB | CAC | H4 | 165.0° | 59.9° |
| CAB | CAF | H7 | H8 | 117.9° | 120.0° |
| CAB | CAF | CAG | H9 | 68.8° | 180.0° |
| CAB | CAF | CAG | H10 | 171.4° | 60.0° |
| FAE | CAB | CAC | CAD | 165.0° | 60.0° |
| FAE | CAB | CAC | H3 | 44.3° | 60.0° |
| FAE | CAB | CAC | H4 | 74.4° | 179.9° |
| FAE | CAB | CAF | H7 | 42.7° | 180.0° |
| FAE | CAB | CAF | H8 | 76.0° | 60.0° |
| CAB | CAC | CAD | CAH | 55.3° | 60.0° |
| CAB | CAC | CAD | H3 | 120.6° | 120.0° |
| CAB | CAC | CAD | H4 | 120.6° | 120.0° |
| CAB | CAC | H3 | H4 | 118.1° | 120.1° |
| CAB | CAC | CAD | H5 | 64.8° | 60.0° |
| CAB | CAC | CAD | H6 | 175.4° | 180.0° |
| CAC | CAB | CAF | H7 | 78.0° | 60.0° |
| CAC | CAB | CAF | H8 | 163.3° | 180.0° |
| CAH | CAD | CAC | H5 | 120.1° | 120.0° |
| CAH | CAD | CAC | H6 | 120.1° | 120.0° |
| CAD | CAH | CAI | H11 | 121.3° | 120.0° |
| CAD | CAH | CAI | NAJ | 129.9° | 175.0° |
| CAH | CAD | CAC | H3 | 65.3° | 180.0° |
| CAH | CAD | CAC | H4 | 175.9° | 60.0° |
| CAH | CAD | H5 | H6 | 119.8° | 120.0° |
| CAD | CAH | CAG | H9 | 58.8° | 180.0° |
| CAD | CAH | CAG | H10 | 178.6° | 60.0° |
| CAD | CAH | CAI | H12 | 109.7° | 65.0° |
| CAD | CAH | CAI | H13 | 9.6° | 55.0° |
| CAC | CAD | CAH | CAI | 54.4° | 180.0° |
| CAD | CAC | H3 | H4 | 118.1° | 120.0° |
| CAC | CAD | H5 | H6 | 119.8° | 120.1° |
| CAC | CAD | CAH | H11 | 175.8° | 60.0° |
| CAH | CAI | NAJ | H12 | 120.3° | 120.0° |
| CAH | CAI | NAJ | H13 | 120.3° | 120.0° |
| CAH | CAI | NAJ | C | 79.4° | 90.0° |
| CAH | CAI | NAJ | CAK | 101.0° | 89.8° |
| CAI | CAH | CAD | H5 | 174.5° | 60.0° |
| CAI | CAH | CAD | H6 | 65.6° | 60.0° |
| CAI | CAH | CAG | H9 | 176.4° | 60.0° |
| CAI | CAH | CAG | H10 | 63.8° | 60.0° |
| CAH | CAI | H12 | H13 | 119.0° | 120.0° |
| O | C | NAJ | CAI | 0.7° | 4.3° |
| O | C | NAJ | CA | 180.0° | 179.9° |
| O | C | NAJ | CAK | 179.8° | 176.0° |
| O | C | CA | N | 175.0° | 167.3° |
| O | C | CA | H1 | 64.6° | 47.5° |
| O | C | CA | H2 | 54.7° | 72.8° |
| CAI | NAJ | C | CAK | 179.5° | 179.8° |
| CAI | NAJ | C | CA | 179.3° | 175.6° |
| CAI | NAJ | CAK | CAL | 158.9° | 158.1° |
| NAJ | CAI | CAH | H11 | 8.6° | 55.0° |
| NAJ | CAI | H12 | H13 | 119.0° | 120.0° |
| CAI | NAJ | CAK | H14 | 81.0° | 37.8° |
| CAI | NAJ | CAK | H15 | 38.8° | 81.6° |
| NAJ | C | CA | N | 4.9° | 12.8° |
| C | NAJ | CAK | CAL | 21.6° | 21.7° |
| NAJ | C | CA | H1 | 115.4° | 132.6° |
| NAJ | C | CA | H2 | 125.3° | 107.1° |
| C | NAJ | CAI | H12 | 40.9° | 30.0° |
| C | NAJ | CAI | H13 | 160.3° | 149.9° |
| C | NAJ | CAK | H14 | 98.5° | 142.0° |
| C | NAJ | CAK | H15 | 141.7° | 98.6° |
| CA | C | NAJ | CAK | 0.2° | 4.2° |
| C | CA | N | H1 | 120.3° | 119.8° |
| C | CA | N | H2 | 120.3° | 120.0° |
| C | CA | N | CAL | 35.7° | 43.0° |
| C | CA | N | CAP | 129.3° | 137.2° |
| C | CA | H1 | H2 | 118.9° | 120.4° |
| NAJ | CAK | CAL | H14 | 120.1° | 120.4° |
| NAJ | CAK | CAL | H15 | 120.1° | 120.2° |
| NAJ | CAK | CAL | N | 49.0° | 46.7° |
| CAK | NAJ | CAI | H12 | 138.7° | 150.2° |
| CAK | NAJ | CAI | H13 | 19.3° | 30.3° |
| NAJ | CAK | H14 | H15 | 119.7° | 119.4° |
| NAJ | CAK | CAL | H16 | 169.2° | 72.9° |
| NAJ | CAK | CAL | H17 | 71.3° | 166.4° |
| CA | N | CAL | CAK | 59.8° | 61.8° |
| CA | N | CAL | CAP | 165.3° | 179.7° |
| CA | N | CAP | CAQ | 103.6° | 64.0° |
| CA | N | CAP | CAT | 76.3° | 116.3° |
| N | CA | H1 | H2 | 118.9° | 120.2° |
| CA | N | CAL | H16 | 179.9° | 57.9° |
| CA | N | CAL | H17 | 60.4° | 178.5° |
| CAK | CAL | N | H16 | 120.2° | 119.7° |
| CAK | CAL | N | H17 | 120.2° | 119.7° |
| CAK | CAL | N | CAP | 105.5° | 118.5° |
| CAL | CAK | H14 | H15 | 119.7° | 119.4° |
| CAK | CAL | H16 | H17 | 119.3° | 120.7° |
| CAL | N | CAP | CAQ | 91.5° | 116.3° |
| CAL | N | CAP | CAT | 88.5° | 63.4° |
| CAL | N | CA | H1 | 84.6° | 162.8° |
| CAL | N | CA | H2 | 156.0° | 76.9° |
| N | CAL | CAK | H14 | 71.2° | 167.1° |
| N | CAL | CAK | H15 | 169.1° | 73.5° |
| N | CAL | H16 | H17 | 119.2° | 120.6° |
| N | CAP | CAQ | CAT | 179.9° | 179.7° |
| N | CAP | CAT | CL | 0.0° | 0.0° |
| N | CAP | CAQ | NAR | 179.6° | 179.9° |
| N | CAP | CAT | CAV | 179.5° | 180.0° |
| CAP | N | CA | H1 | 110.4° | 17.4° |
| CAP | N | CA | H2 | 8.9° | 102.8° |
| CAP | N | CAL | H16 | 14.8° | 121.9° |
| CAP | N | CAL | H17 | 134.3° | 1.2° |
| N | CAP | CAQ | H18 | 0.4° | 0.0° |
| CAQ | CAP | CAT | CL | 179.9° | 179.7° |
| CAP | CAQ | NAR | H18 | 180.0° | 179.9° |
| CAQ | CAP | CAT | CAV | 0.6° | 0.3° |
| CAP | CAQ | NAR | NAS | 0.9° | 0.1° |
| CAP | CAT | CL | CAV | 179.5° | 180.0° |
| CAT | CAP | CAQ | NAR | 0.5° | 0.4° |
| CAP | CAT | CAV | NAS | 1.2° | 0.1° |
| CAP | CAT | CAV | OAW | 179.7° | 180.0° |
| CAT | CAP | CAQ | H18 | 179.6° | 179.7° |
| CL | CAT | CAV | NAS | 179.3° | 180.0° |
| CL | CAT | CAV | OAW | 0.8° | 0.0° |
| CAQ | NAR | NAS | CAV | 1.5° | 0.1° |
| CAQ | NAR | NAS | H19 | 178.5° | 180.0° |
| CAT | CAV | NAS | NAR | 1.6° | 0.2° |
| CAT | CAV | NAS | OAW | 178.5° | 179.9° |
| CAT | CAV | NAS | H19 | 178.4° | 180.0° |
| NAR | NAS | CAV | H19 | 180.0° | 179.8° |
| NAR | NAS | CAV | OAW | 179.8° | 179.8° |
| NAS | NAR | CAQ | H18 | 179.1° | 180.0° |
| OAW | CAV | NAS | H19 | 0.1° | 0.1° |
| H3 | CAC | CAD | H5 | 174.6° | 60.0° |
| H3 | CAC | CAD | H6 | 54.7° | 60.0° |
| H4 | CAC | CAD | H5 | 55.8° | 180.0° |
| H4 | CAC | CAD | H6 | 64.0° | 60.0° |
| H5 | CAD | CAH | H11 | 64.1° | 180.0° |
| H6 | CAD | CAH | H11 | 55.8° | 60.0° |
| H7 | CAF | CAG | H9 | 170.5° | 60.0° |
| H7 | CAF | CAG | H10 | 50.7° | 180.0° |
| H8 | CAF | CAG | H9 | 51.9° | 60.1° |
| H8 | CAF | CAG | H10 | 68.0° | 59.9° |
| H9 | CAG | CAH | H11 | 62.1° | 60.0° |
| H10 | CAG | CAH | H11 | 57.7° | 180.0° |
| H11 | CAH | CAI | H12 | 128.9° | 175.0° |
| H11 | CAH | CAI | H13 | 111.7° | 65.0° |
| H14 | CAK | CAL | H16 | 49.1° | 47.5° |
| H14 | CAK | CAL | H17 | 168.6° | 73.2° |
| H15 | CAK | CAL | H16 | 70.7° | 166.8° |
| H15 | CAK | CAL | H17 | 48.8° | 46.2° |
