4SY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAY | sing | 1.53Å | 1.49Å | |
| CAD | CAY | sing | 1.53Å | 1.56Å | |
| CAY | CAC | sing | 1.53Å | 1.58Å | |
| CAY | OAQ | sing | 1.45Å | 1.47Å | |
| OAG | NAO | sing | 1.42Å | 1.45Å | |
| OAQ | CAR | sing | 1.35Å | 1.42Å | |
| NAO | C | sing | 1.35Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| OAE | CAR | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CAR | N | sing | 1.35Å | 1.35Å | |
| N | CA | sing | 1.46Å | 1.44Å | |
| CA | CAV | sing | 1.51Å | 1.51Å | |
| CAV | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.49Å | 1.53Å | |
| CAU | CAL | sing | 1.41Å | 1.39Å | Aromatic |
| CAU | CAM | doub | 1.36Å | 1.40Å | Aromatic |
| CAL | NAN | doub | 1.31Å | 1.39Å | Aromatic |
| CAM | NAX | sing | 1.35Å | 1.38Å | Aromatic |
| NAN | NAX | sing | 1.40Å | 1.38Å | Aromatic |
| NAX | CAA | sing | 1.47Å | 1.47Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| CA | H20 | sing | 1.09Å | 1.10Å | |
| NAO | H21 | sing | 0.97Å | 1.00Å | |
| OAG | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAY | CAD | 108.1° | 109.4° |
| CAB | CAY | CAC | 110.2° | 109.5° |
| CAB | CAY | OAQ | 112.1° | 109.5° |
| CAY | CAB | H13 | 109.5° | 109.5° |
| CAY | CAB | H14 | 109.5° | 109.4° |
| CAY | CAB | H15 | 109.5° | 109.5° |
| CAD | CAY | CAC | 109.2° | 109.5° |
| CAD | CAY | OAQ | 105.4° | 109.5° |
| CAY | CAD | H10 | 109.5° | 109.5° |
| CAY | CAD | H11 | 109.5° | 109.4° |
| CAY | CAD | H12 | 109.5° | 109.4° |
| CAC | CAY | OAQ | 111.5° | 109.5° |
| CAY | CAC | H16 | 109.5° | 109.5° |
| CAY | CAC | H17 | 109.5° | 109.5° |
| CAY | CAC | H18 | 109.5° | 109.5° |
| CAY | OAQ | CAR | 121.4° | 116.9° |
| OAG | NAO | C | 118.7° | 120.0° |
| OAG | NAO | H21 | 120.7° | 120.0° |
| NAO | OAG | H22 | 109.5° | 114.0° |
| OAQ | CAR | OAE | 121.1° | 120.1° |
| OAQ | CAR | N | 116.1° | 120.0° |
| NAO | C | O | 119.7° | 120.0° |
| NAO | C | CA | 119.5° | 120.0° |
| C | NAO | H21 | 120.7° | 120.0° |
| O | C | CA | 120.8° | 120.0° |
| OAE | CAR | N | 119.7° | 120.0° |
| C | CA | N | 111.1° | 109.4° |
| C | CA | CAV | 112.5° | 109.4° |
| C | CA | H20 | 108.3° | 109.5° |
| CAR | N | CA | 120.8° | 120.0° |
| CAR | N | H19 | 119.6° | 120.0° |
| N | CA | CAV | 107.5° | 109.5° |
| CA | N | H19 | 119.6° | 120.0° |
| N | CA | H20 | 109.2° | 109.5° |
| CA | CAV | CAK | 120.4° | 119.9° |
| CA | CAV | CAJ | 118.0° | 119.9° |
| CAV | CA | H20 | 108.2° | 109.5° |
| CAK | CAV | CAJ | 121.6° | 120.2° |
| CAV | CAK | CAI | 118.7° | 120.2° |
| CAV | CAK | H1 | 120.7° | 120.0° |
| CAV | CAJ | CAH | 119.7° | 120.1° |
| CAV | CAJ | H3 | 120.2° | 119.9° |
| CAK | CAI | CAT | 119.7° | 119.8° |
| CAI | CAK | H1 | 120.7° | 119.9° |
| CAK | CAI | H2 | 120.2° | 120.1° |
| CAJ | CAH | CAT | 118.7° | 119.9° |
| CAH | CAJ | H3 | 120.1° | 120.0° |
| CAJ | CAH | H4 | 120.7° | 120.0° |
| CAI | CAT | CAH | 121.6° | 119.8° |
| CAI | CAT | CAU | 118.9° | 120.1° |
| CAT | CAI | H2 | 120.1° | 120.1° |
| CAH | CAT | CAU | 119.5° | 120.1° |
| CAT | CAH | H4 | 120.6° | 120.1° |
| CAT | CAU | CAL | 129.1° | 126.2° |
| CAT | CAU | CAM | 122.6° | 126.2° |
| CAL | CAU | CAM | 108.3° | 107.6° |
| CAU | CAL | NAN | 107.0° | 108.1° |
| CAU | CAL | H6 | 126.5° | 126.0° |
| CAU | CAM | NAX | 107.7° | 107.6° |
| CAU | CAM | H5 | 126.2° | 126.2° |
| CAL | NAN | NAX | 108.8° | 108.5° |
| NAN | CAL | H6 | 126.5° | 126.0° |
| CAM | NAX | NAN | 108.2° | 108.2° |
| CAM | NAX | CAA | 124.7° | 125.9° |
| NAX | CAM | H5 | 126.1° | 126.1° |
| NAN | NAX | CAA | 127.1° | 125.9° |
| NAX | CAA | H7 | 109.5° | 109.5° |
| NAX | CAA | H8 | 109.5° | 109.5° |
| NAX | CAA | H9 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.4° | 109.5° |
| H7 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H10 | CAD | H11 | 109.5° | 109.5° |
| H10 | CAD | H12 | 109.5° | 109.5° |
| H11 | CAD | H12 | 109.4° | 109.4° |
| H13 | CAB | H14 | 109.5° | 109.5° |
| H13 | CAB | H15 | 109.4° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.5° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H16 | CAC | H18 | 109.5° | 109.4° |
| H17 | CAC | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAY | CAD | CAC | 120.0° | 120.0° |
| CAB | CAY | CAD | OAQ | 120.1° | 120.0° |
| CAB | CAY | CAC | OAQ | 125.2° | 120.0° |
| CAB | CAY | OAQ | CAR | 66.9° | 60.0° |
| CAB | CAY | CAD | H10 | 180.0° | 60.0° |
| CAB | CAY | CAD | H11 | 60.0° | 60.0° |
| CAB | CAY | CAD | H12 | 60.0° | 180.0° |
| CAY | CAB | H13 | H14 | 120.0° | 119.9° |
| CAY | CAB | H13 | H15 | 120.0° | 120.0° |
| CAY | CAB | H14 | H15 | 120.0° | 120.0° |
| CAB | CAY | CAC | H16 | 180.0° | 180.0° |
| CAB | CAY | CAC | H17 | 60.0° | 60.0° |
| CAB | CAY | CAC | H18 | 60.0° | 60.0° |
| CAD | CAY | CAC | OAQ | 116.1° | 120.0° |
| CAD | CAY | OAQ | CAR | 175.6° | 60.0° |
| CAY | CAD | H10 | H11 | 120.0° | 120.0° |
| CAY | CAD | H10 | H12 | 120.0° | 120.0° |
| CAY | CAD | H11 | H12 | 120.0° | 119.9° |
| CAD | CAY | CAB | H13 | 180.0° | 60.0° |
| CAD | CAY | CAB | H14 | 60.0° | 180.0° |
| CAD | CAY | CAB | H15 | 60.0° | 60.0° |
| CAD | CAY | CAC | H16 | 61.3° | 60.0° |
| CAD | CAY | CAC | H17 | 58.7° | 180.0° |
| CAD | CAY | CAC | H18 | 178.6° | 60.0° |
| CAC | CAY | OAQ | CAR | 57.2° | 180.0° |
| CAC | CAY | CAD | H10 | 60.0° | 60.0° |
| CAC | CAY | CAD | H11 | 179.9° | 180.0° |
| CAC | CAY | CAD | H12 | 60.0° | 60.1° |
| CAC | CAY | CAB | H13 | 60.7° | 60.0° |
| CAC | CAY | CAB | H14 | 59.4° | 60.0° |
| CAC | CAY | CAB | H15 | 179.4° | 180.0° |
| CAY | CAC | H16 | H17 | 120.0° | 120.0° |
| CAY | CAC | H16 | H18 | 120.0° | 120.0° |
| CAY | CAC | H17 | H18 | 120.0° | 120.0° |
| CAY | OAQ | CAR | OAE | 5.9° | 0.0° |
| CAY | OAQ | CAR | N | 166.1° | 180.0° |
| OAQ | CAY | CAD | H10 | 59.9° | 180.0° |
| OAQ | CAY | CAD | H11 | 60.1° | 60.0° |
| OAQ | CAY | CAD | H12 | 179.9° | 60.0° |
| OAQ | CAY | CAB | H13 | 64.2° | 179.9° |
| OAQ | CAY | CAB | H14 | 175.8° | 60.0° |
| OAQ | CAY | CAB | H15 | 55.8° | 60.0° |
| OAQ | CAY | CAC | H16 | 54.8° | 60.0° |
| OAQ | CAY | CAC | H17 | 174.8° | 60.0° |
| OAQ | CAY | CAC | H18 | 65.2° | 180.0° |
| OAG | NAO | C | H21 | 180.0° | 180.0° |
| OAG | NAO | C | O | 0.7° | 0.0° |
| OAG | NAO | C | CA | 179.7° | 179.9° |
| OAQ | CAR | OAE | N | 159.5° | 180.0° |
| OAQ | CAR | N | CA | 7.0° | 180.0° |
| OAQ | CAR | N | H19 | 173.0° | 0.0° |
| NAO | C | O | CA | 179.0° | 179.9° |
| NAO | C | CA | N | 17.8° | 180.0° |
| NAO | C | CA | CAV | 102.8° | 60.0° |
| NAO | C | CA | H20 | 137.6° | 60.0° |
| C | NAO | OAG | H22 | 0.3° | 180.0° |
| O | C | CA | N | 161.2° | 0.1° |
| O | C | CA | CAV | 78.2° | 120.1° |
| O | C | CA | H20 | 41.4° | 119.9° |
| O | C | NAO | H21 | 179.3° | 179.9° |
| OAE | CAR | N | CA | 167.5° | 0.0° |
| OAE | CAR | N | H19 | 12.5° | 180.0° |
| C | CA | N | CAR | 85.0° | 85.0° |
| C | CA | N | CAV | 123.5° | 119.9° |
| C | CA | N | H20 | 119.3° | 120.0° |
| C | CA | CAV | H20 | 119.6° | 120.0° |
| C | CA | CAV | CAK | 48.9° | 100.0° |
| C | CA | CAV | CAJ | 133.0° | 80.3° |
| C | CA | N | H19 | 95.0° | 95.0° |
| CA | C | NAO | H21 | 0.3° | 0.0° |
| CAR | N | CA | H19 | 180.0° | 180.0° |
| CAR | N | CA | CAV | 151.5° | 155.0° |
| CAR | N | CA | H20 | 34.3° | 35.0° |
| N | CA | CAV | H20 | 117.8° | 120.0° |
| N | CA | CAV | CAK | 73.7° | 140.0° |
| N | CA | CAV | CAJ | 104.4° | 39.7° |
| CA | CAV | CAK | CAJ | 178.0° | 179.7° |
| CA | CAV | CAK | CAI | 179.5° | 179.7° |
| CA | CAV | CAJ | CAH | 179.3° | 179.7° |
| CA | CAV | CAK | H1 | 0.5° | 0.4° |
| CA | CAV | CAJ | H3 | 0.7° | 0.3° |
| CAV | CA | N | H19 | 28.5° | 25.0° |
| CAV | CAK | CAI | H1 | 180.0° | 179.9° |
| CAK | CAV | CAJ | CAH | 1.2° | 0.0° |
| CAV | CAK | CAI | CAT | 0.2° | 0.0° |
| CAV | CAK | CAI | H2 | 179.8° | 179.9° |
| CAK | CAV | CAJ | H3 | 178.8° | 180.0° |
| CAK | CAV | CA | H20 | 168.5° | 20.0° |
| CAJ | CAV | CAK | CAI | 1.5° | 0.0° |
| CAV | CAJ | CAH | H3 | 180.0° | 179.9° |
| CAV | CAJ | CAH | CAT | 0.3° | 0.1° |
| CAJ | CAV | CAK | H1 | 178.6° | 179.9° |
| CAV | CAJ | CAH | H4 | 179.7° | 180.0° |
| CAJ | CAV | CA | H20 | 13.4° | 159.7° |
| CAK | CAI | CAT | H2 | 180.0° | 180.0° |
| CAK | CAI | CAT | CAH | 1.3° | 0.0° |
| CAK | CAI | CAT | CAU | 178.0° | 180.0° |
| CAJ | CAH | CAT | CAI | 1.6° | 0.1° |
| CAJ | CAH | CAT | H4 | 180.0° | 179.9° |
| CAJ | CAH | CAT | CAU | 178.2° | 179.9° |
| CAI | CAT | CAH | CAU | 176.7° | 180.0° |
| CAI | CAT | CAU | CAL | 127.1° | 0.0° |
| CAI | CAT | CAU | CAM | 54.5° | 179.7° |
| CAT | CAI | CAK | H1 | 179.8° | 180.0° |
| CAI | CAT | CAH | H4 | 178.4° | 180.0° |
| CAH | CAT | CAU | CAL | 56.2° | 180.0° |
| CAH | CAT | CAU | CAM | 122.2° | 0.3° |
| CAH | CAT | CAI | H2 | 178.7° | 180.0° |
| CAT | CAH | CAJ | H3 | 179.7° | 180.0° |
| CAT | CAU | CAL | CAM | 178.6° | 179.7° |
| CAT | CAU | CAL | NAN | 179.3° | 180.0° |
| CAT | CAU | CAM | NAX | 179.5° | 180.0° |
| CAU | CAT | CAI | H2 | 2.0° | 0.0° |
| CAU | CAT | CAH | H4 | 1.8° | 0.0° |
| CAT | CAU | CAM | H5 | 0.5° | 0.0° |
| CAT | CAU | CAL | H6 | 0.7° | 0.0° |
| CAU | CAL | NAN | H6 | 180.0° | 180.0° |
| CAL | CAU | CAM | NAX | 0.8° | 0.3° |
| CAU | CAL | NAN | NAX | 0.4° | 0.2° |
| CAL | CAU | CAM | H5 | 179.2° | 179.8° |
| CAM | CAU | CAL | NAN | 0.7° | 0.3° |
| CAU | CAM | NAX | H5 | 180.0° | 179.9° |
| CAU | CAM | NAX | NAN | 0.6° | 0.2° |
| CAU | CAM | NAX | CAA | 179.9° | 180.0° |
| CAM | CAU | CAL | H6 | 179.3° | 179.7° |
| CAL | NAN | NAX | CAM | 0.1° | 0.0° |
| CAL | NAN | NAX | CAA | 179.7° | 179.8° |
| CAM | NAX | NAN | CAA | 179.6° | 179.8° |
| CAM | NAX | CAA | H7 | 179.5° | 90.0° |
| CAM | NAX | CAA | H8 | 59.5° | 150.0° |
| CAM | NAX | CAA | H9 | 60.5° | 30.0° |
| NAN | NAX | CAM | H5 | 179.4° | 179.9° |
| NAX | NAN | CAL | H6 | 179.6° | 179.8° |
| NAN | NAX | CAA | H7 | 0.0° | 89.8° |
| NAN | NAX | CAA | H8 | 120.0° | 30.2° |
| NAN | NAX | CAA | H9 | 120.0° | 150.2° |
| CAA | NAX | CAM | H5 | 0.2° | 0.1° |
| NAX | CAA | H7 | H8 | 120.0° | 120.0° |
| NAX | CAA | H7 | H9 | 120.0° | 120.0° |
| NAX | CAA | H8 | H9 | 120.0° | 120.0° |
| H1 | CAK | CAI | H2 | 0.2° | 0.0° |
| H3 | CAJ | CAH | H4 | 0.3° | 0.1° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
| H10 | CAD | H11 | H12 | 120.0° | 120.1° |
| H13 | CAB | H14 | H15 | 120.0° | 120.1° |
| H16 | CAC | H17 | H18 | 120.0° | 119.9° |
| H19 | N | CA | H20 | 145.7° | 145.1° |
| H21 | NAO | OAG | H22 | 179.7° | 0.1° |
