27S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAD | CAS | sing | 1.36Å | 1.33Å | |
| CAK | CAV | sing | 1.53Å | 1.54Å | |
| CAK | CAB | sing | 1.53Å | 1.54Å | |
| CAC | CAQ | sing | 1.51Å | 1.53Å | |
| CAJ | CAV | sing | 1.53Å | 1.54Å | |
| CAJ | CAA | sing | 1.53Å | 1.53Å | |
| CAV | OAO | sing | 1.43Å | 1.44Å | |
| SAP | CAS | sing | 1.72Å | 1.67Å | |
| SAP | CAY | sing | 1.82Å | 1.83Å | |
| CAS | NAM | doub | 1.31Å | 1.33Å | |
| NAN | CAQ | sing | 1.35Å | 1.34Å | |
| NAN | CAX | sing | 1.47Å | 1.47Å | |
| CAQ | OAE | doub | 1.21Å | 1.23Å | |
| OAO | CAW | sing | 1.43Å | 1.44Å | |
| CAW | CAX | sing | 1.53Å | 1.51Å | |
| CAW | CAL | sing | 1.53Å | 1.52Å | |
| NAM | CAT | sing | 1.31Å | 1.35Å | |
| CAX | CAY | sing | 1.52Å | 1.53Å | |
| CAY | CAT | sing | 1.51Å | 1.42Å | |
| CAY | CAI | sing | 1.50Å | 1.40Å | |
| CAL | CAU | sing | 1.50Å | 1.40Å | |
| CAT | OAG | doub | 1.22Å | 1.23Å | |
| CAI | CAU | doub | 1.32Å | 1.40Å | |
| CAU | CAR | sing | 1.47Å | 1.40Å | |
| CAR | OAF | doub | 1.21Å | 1.25Å | |
| CAR | OAH | sing | 1.35Å | 1.25Å | |
| NAD | H2 | sing | 0.97Å | 1.00Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| NAN | H4 | sing | 0.97Å | 1.00Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| OAH | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAW | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| NAD | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAD | CAS | SAP | 126.3° | 125.7° |
| NAD | CAS | NAM | 124.6° | 125.7° |
| CAS | NAD | H2 | 120.0° | 120.0° |
| CAS | NAD | H1 | 120.0° | 120.0° |
| CAV | CAK | CAB | 112.3° | 109.5° |
| CAK | CAV | CAJ | 110.0° | 109.5° |
| CAK | CAV | OAO | 111.4° | 109.5° |
| CAK | CAV | H13 | 108.1° | 109.5° |
| CAV | CAK | H14 | 108.7° | 109.5° |
| CAV | CAK | H15 | 108.8° | 109.5° |
| CAB | CAK | H14 | 108.8° | 109.5° |
| CAB | CAK | H15 | 108.8° | 109.5° |
| CAK | CAB | H16 | 109.5° | 109.5° |
| CAK | CAB | H17 | 109.5° | 109.5° |
| CAK | CAB | H18 | 109.5° | 109.5° |
| CAC | CAQ | NAN | 114.9° | 120.0° |
| CAC | CAQ | OAE | 121.4° | 120.0° |
| CAQ | CAC | H5 | 109.5° | 109.5° |
| CAQ | CAC | H6 | 109.5° | 109.5° |
| CAQ | CAC | H7 | 109.5° | 109.5° |
| CAV | CAJ | CAA | 110.2° | 109.5° |
| CAJ | CAV | OAO | 109.9° | 109.5° |
| CAJ | CAV | H13 | 108.1° | 109.5° |
| CAV | CAJ | H19 | 109.3° | 109.5° |
| CAV | CAJ | H20 | 109.3° | 109.4° |
| CAA | CAJ | H19 | 109.3° | 109.5° |
| CAA | CAJ | H20 | 109.3° | 109.5° |
| CAJ | CAA | H21 | 109.5° | 109.5° |
| CAJ | CAA | H22 | 109.4° | 109.5° |
| CAJ | CAA | H23 | 109.5° | 109.5° |
| CAV | OAO | CAW | 113.1° | 114.0° |
| OAO | CAV | H13 | 109.3° | 109.4° |
| CAS | SAP | CAY | 91.1° | 94.2° |
| SAP | CAS | NAM | 109.0° | 108.6° |
| SAP | CAY | CAX | 113.7° | 110.1° |
| SAP | CAY | CAT | 99.8° | 102.8° |
| SAP | CAY | CAI | 110.7° | 110.4° |
| CAS | NAM | CAT | 113.5° | 122.1° |
| CAQ | NAN | CAX | 122.2° | 120.0° |
| NAN | CAQ | OAE | 123.6° | 120.0° |
| CAQ | NAN | H4 | 118.9° | 120.0° |
| NAN | CAX | CAW | 107.3° | 109.8° |
| NAN | CAX | CAY | 109.3° | 109.6° |
| NAN | CAX | H3 | 110.1° | 109.6° |
| CAX | NAN | H4 | 118.9° | 120.0° |
| OAO | CAW | CAX | 108.0° | 109.6° |
| OAO | CAW | CAL | 110.1° | 109.6° |
| OAO | CAW | H12 | 109.9° | 109.7° |
| CAX | CAW | CAL | 110.9° | 108.6° |
| CAW | CAX | CAY | 111.5° | 108.6° |
| CAW | CAX | H3 | 109.4° | 109.7° |
| CAX | CAW | H12 | 109.0° | 109.6° |
| CAW | CAL | CAU | 114.6° | 110.4° |
| CAW | CAL | H10 | 108.2° | 109.3° |
| CAW | CAL | H11 | 108.2° | 109.2° |
| CAL | CAW | H12 | 108.8° | 109.6° |
| NAM | CAT | CAY | 116.1° | 112.4° |
| NAM | CAT | OAG | 119.8° | 123.8° |
| CAX | CAY | CAT | 111.3° | 110.4° |
| CAX | CAY | CAI | 110.9° | 111.5° |
| CAY | CAX | H3 | 109.1° | 109.6° |
| CAT | CAY | CAI | 110.1° | 111.4° |
| CAY | CAT | OAG | 124.0° | 123.8° |
| CAY | CAI | CAU | 125.3° | 123.4° |
| CAY | CAI | H8 | 117.3° | 118.3° |
| CAL | CAU | CAI | 122.1° | 123.5° |
| CAL | CAU | CAR | 118.2° | 118.3° |
| CAU | CAL | H10 | 108.2° | 109.3° |
| CAU | CAL | H11 | 108.2° | 109.3° |
| CAI | CAU | CAR | 118.2° | 118.2° |
| CAU | CAI | H8 | 117.4° | 118.4° |
| CAU | CAR | OAF | 120.8° | 120.0° |
| CAU | CAR | OAH | 120.4° | 120.0° |
| OAF | CAR | OAH | 118.8° | 120.0° |
| CAR | OAH | H9 | 109.5° | 117.0° |
| H2 | NAD | H1 | 120.0° | 120.0° |
| H5 | CAC | H6 | 109.5° | 109.5° |
| H5 | CAC | H7 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.4° | 109.4° |
| H10 | CAL | H11 | 109.4° | 109.3° |
| H14 | CAK | H15 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.4° | 109.4° |
| H16 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H18 | 109.4° | 109.5° |
| H19 | CAJ | H20 | 109.5° | 109.5° |
| H21 | CAA | H22 | 109.5° | 109.5° |
| H21 | CAA | H23 | 109.4° | 109.4° |
| H22 | CAA | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAD | CAS | SAP | NAM | 176.9° | 180.0° |
| NAD | CAS | SAP | CAY | 147.3° | 179.8° |
| NAD | CAS | NAM | CAT | 153.9° | 180.0° |
| CAS | NAD | H2 | H1 | 179.9° | 179.8° |
| CAV | CAK | CAB | H14 | 120.4° | 120.1° |
| CAV | CAK | CAB | H15 | 120.4° | 120.0° |
| CAK | CAV | CAJ | OAO | 122.9° | 120.0° |
| CAK | CAV | CAJ | H13 | 117.8° | 120.0° |
| CAK | CAV | CAJ | CAA | 174.6° | 175.0° |
| CAK | CAV | OAO | H13 | 119.4° | 120.0° |
| CAK | CAV | OAO | CAW | 62.0° | 140.0° |
| CAV | CAK | H14 | H15 | 118.7° | 120.0° |
| CAV | CAK | CAB | H16 | 180.0° | 63.6° |
| CAV | CAK | CAB | H17 | 60.0° | 56.4° |
| CAV | CAK | CAB | H18 | 60.0° | 176.4° |
| CAK | CAV | CAJ | H19 | 65.3° | 55.0° |
| CAK | CAV | CAJ | H20 | 54.5° | 65.0° |
| CAB | CAK | CAV | CAJ | 38.8° | 174.6° |
| CAB | CAK | CAV | OAO | 83.3° | 65.4° |
| CAB | CAK | CAV | H13 | 156.6° | 54.5° |
| CAB | CAK | H14 | H15 | 118.7° | 120.0° |
| CAK | CAB | H16 | H17 | 120.0° | 120.0° |
| CAK | CAB | H16 | H18 | 120.0° | 120.0° |
| CAK | CAB | H17 | H18 | 120.0° | 120.0° |
| CAC | CAQ | NAN | OAE | 179.6° | 180.0° |
| CAC | CAQ | NAN | CAX | 179.3° | 180.0° |
| CAC | CAQ | NAN | H4 | 0.7° | 0.0° |
| CAQ | CAC | H5 | H6 | 120.0° | 120.0° |
| CAQ | CAC | H5 | H7 | 120.0° | 120.1° |
| CAQ | CAC | H6 | H7 | 120.0° | 120.0° |
| CAV | CAJ | CAA | H19 | 120.1° | 120.0° |
| CAV | CAJ | CAA | H20 | 120.1° | 120.0° |
| CAJ | CAV | OAO | H13 | 118.5° | 120.0° |
| CAJ | CAV | OAO | CAW | 175.9° | 100.0° |
| CAJ | CAV | CAK | H14 | 81.6° | 65.4° |
| CAJ | CAV | CAK | H15 | 159.2° | 54.6° |
| CAV | CAJ | H19 | H20 | 119.7° | 120.0° |
| CAV | CAJ | CAA | H21 | 180.0° | 60.0° |
| CAV | CAJ | CAA | H22 | 60.0° | 60.0° |
| CAV | CAJ | CAA | H23 | 60.0° | 180.0° |
| CAA | CAJ | CAV | OAO | 51.7° | 65.0° |
| CAA | CAJ | CAV | H13 | 67.5° | 55.0° |
| CAA | CAJ | H19 | H20 | 119.7° | 120.0° |
| CAJ | CAA | H21 | H22 | 120.0° | 120.0° |
| CAJ | CAA | H21 | H23 | 120.0° | 120.0° |
| CAJ | CAA | H22 | H23 | 120.0° | 120.0° |
| CAV | OAO | CAW | CAX | 117.1° | 150.3° |
| CAV | OAO | CAW | CAL | 121.7° | 90.6° |
| CAV | OAO | CAW | H12 | 1.8° | 29.8° |
| OAO | CAV | CAK | H14 | 156.3° | 54.6° |
| OAO | CAV | CAK | H15 | 37.1° | 174.6° |
| OAO | CAV | CAJ | H19 | 171.8° | 175.0° |
| OAO | CAV | CAJ | H20 | 68.4° | 55.0° |
| SAP | CAS | NAM | CAT | 23.0° | 0.0° |
| CAS | SAP | CAY | CAX | 91.6° | 118.0° |
| CAS | SAP | CAY | CAT | 27.0° | 0.3° |
| CAS | SAP | CAY | CAI | 142.9° | 118.6° |
| SAP | CAS | NAD | H2 | 0.0° | 179.9° |
| SAP | CAS | NAD | H1 | 180.0° | 0.1° |
| CAY | SAP | CAS | NAM | 29.6° | 0.2° |
| SAP | CAY | CAX | NAN | 39.3° | 51.1° |
| SAP | CAY | CAX | CAW | 79.2° | 171.0° |
| SAP | CAY | CAT | NAM | 19.9° | 0.3° |
| SAP | CAY | CAX | CAT | 111.7° | 112.8° |
| SAP | CAY | CAX | CAI | 125.4° | 122.8° |
| SAP | CAY | CAT | CAI | 116.4° | 118.2° |
| SAP | CAY | CAT | OAG | 159.5° | 179.9° |
| SAP | CAY | CAI | CAU | 107.7° | 138.7° |
| SAP | CAY | CAX | H3 | 159.8° | 69.2° |
| SAP | CAY | CAI | H8 | 72.3° | 41.2° |
| CAS | NAM | CAT | CAY | 0.1° | 0.2° |
| CAS | NAM | CAT | OAG | 179.5° | 180.0° |
| NAM | CAS | NAD | H2 | 176.4° | 0.1° |
| NAM | CAS | NAD | H1 | 3.6° | 179.9° |
| CAQ | NAN | CAX | H4 | 180.0° | 179.9° |
| CAQ | NAN | CAX | CAW | 129.0° | 85.9° |
| CAQ | NAN | CAX | CAY | 109.9° | 155.0° |
| CAQ | NAN | CAX | H3 | 10.0° | 34.6° |
| NAN | CAQ | CAC | H5 | 179.6° | 0.0° |
| NAN | CAQ | CAC | H6 | 59.6° | 120.0° |
| NAN | CAQ | CAC | H7 | 60.3° | 120.0° |
| CAX | NAN | CAQ | OAE | 0.3° | 0.0° |
| NAN | CAX | CAW | OAO | 62.4° | 172.7° |
| NAN | CAX | CAW | CAY | 119.7° | 119.8° |
| NAN | CAX | CAW | H3 | 119.4° | 120.5° |
| NAN | CAX | CAW | CAL | 176.8° | 53.0° |
| NAN | CAX | CAY | H3 | 120.5° | 120.3° |
| NAN | CAX | CAY | CAT | 72.3° | 164.0° |
| NAN | CAX | CAY | CAI | 164.8° | 71.7° |
| NAN | CAX | CAW | H12 | 57.0° | 66.8° |
| OAE | CAQ | NAN | H4 | 179.7° | 179.9° |
| OAE | CAQ | CAC | H5 | 0.0° | 180.0° |
| OAE | CAQ | CAC | H6 | 120.0° | 60.0° |
| OAE | CAQ | CAC | H7 | 120.0° | 59.9° |
| OAO | CAW | CAX | CAL | 120.8° | 119.7° |
| OAO | CAW | CAX | H12 | 119.5° | 120.5° |
| OAO | CAW | CAL | H12 | 120.6° | 120.5° |
| OAO | CAW | CAX | CAY | 177.8° | 53.0° |
| OAO | CAW | CAL | CAU | 159.0° | 69.6° |
| OAO | CAW | CAX | H3 | 57.0° | 66.8° |
| OAO | CAW | CAL | H10 | 38.2° | 170.1° |
| OAO | CAW | CAL | H11 | 80.2° | 50.6° |
| CAW | OAO | CAV | H13 | 57.4° | 20.0° |
| CAX | CAW | CAL | H12 | 119.9° | 119.8° |
| CAW | CAX | CAY | H3 | 121.0° | 119.8° |
| CAW | CAX | CAY | CAT | 169.2° | 76.1° |
| CAW | CAX | CAY | CAI | 46.3° | 48.2° |
| CAX | CAW | CAL | CAU | 39.5° | 50.2° |
| CAW | CAX | NAN | H4 | 51.1° | 94.2° |
| CAX | CAW | CAL | H10 | 81.3° | 70.1° |
| CAX | CAW | CAL | H11 | 160.3° | 170.3° |
| CAL | CAW | CAX | CAY | 57.1° | 66.8° |
| CAW | CAL | CAU | H10 | 120.8° | 120.3° |
| CAW | CAL | CAU | H11 | 120.8° | 120.1° |
| CAW | CAL | CAU | CAI | 12.4° | 18.1° |
| CAW | CAL | CAU | CAR | 153.1° | 161.9° |
| CAL | CAW | CAX | H3 | 63.8° | 173.5° |
| CAW | CAL | H10 | H11 | 117.7° | 119.5° |
| NAM | CAT | CAY | CAX | 100.4° | 117.8° |
| NAM | CAT | CAY | OAG | 179.4° | 179.7° |
| NAM | CAT | CAY | CAI | 136.3° | 117.8° |
| CAX | CAY | CAT | CAI | 123.3° | 124.4° |
| CAX | CAY | CAT | OAG | 80.2° | 62.5° |
| CAX | CAY | CAI | CAU | 19.3° | 16.0° |
| CAY | CAX | NAN | H4 | 70.1° | 25.0° |
| CAX | CAY | CAI | H8 | 160.6° | 163.9° |
| CAY | CAX | CAW | H12 | 62.7° | 173.5° |
| CAT | CAY | CAI | CAU | 142.9° | 107.8° |
| CAT | CAY | CAX | H3 | 48.1° | 43.6° |
| CAT | CAY | CAI | H8 | 37.0° | 72.3° |
| CAY | CAI | CAU | CAL | 2.3° | 0.5° |
| CAI | CAY | CAT | OAG | 43.1° | 61.9° |
| CAY | CAI | CAU | H8 | 180.0° | 180.0° |
| CAY | CAI | CAU | CAR | 163.2° | 179.5° |
| CAI | CAY | CAX | H3 | 74.8° | 168.0° |
| CAL | CAU | CAI | CAR | 165.4° | 180.0° |
| CAL | CAU | CAR | OAF | 4.5° | 180.0° |
| CAL | CAU | CAR | OAH | 175.6° | 0.0° |
| CAL | CAU | CAI | H8 | 177.7° | 179.5° |
| CAU | CAL | H10 | H11 | 117.7° | 119.6° |
| CAU | CAL | CAW | H12 | 80.4° | 170.0° |
| CAI | CAU | CAR | OAF | 170.6° | 0.0° |
| CAI | CAU | CAR | OAH | 9.6° | 180.0° |
| CAI | CAU | CAL | H10 | 108.4° | 102.2° |
| CAI | CAU | CAL | H11 | 133.2° | 138.2° |
| CAU | CAR | OAF | OAH | 179.8° | 180.0° |
| CAR | CAU | CAI | H8 | 16.9° | 0.5° |
| CAU | CAR | OAH | H9 | 179.8° | 180.0° |
| CAR | CAU | CAL | H10 | 86.2° | 77.8° |
| CAR | CAU | CAL | H11 | 32.3° | 41.8° |
| OAF | CAR | OAH | H9 | 0.0° | 0.0° |
| H3 | CAX | NAN | H4 | 170.0° | 145.3° |
| H3 | CAX | CAW | H12 | 176.4° | 53.7° |
| H5 | CAC | H6 | H7 | 120.0° | 120.0° |
| H10 | CAL | CAW | H12 | 158.8° | 49.7° |
| H11 | CAL | CAW | H12 | 40.4° | 69.9° |
| H13 | CAV | CAK | H14 | 36.2° | 174.6° |
| H13 | CAV | CAK | H15 | 83.0° | 65.4° |
| H13 | CAV | CAJ | H19 | 52.6° | 65.0° |
| H13 | CAV | CAJ | H20 | 172.4° | 175.0° |
| H14 | CAK | CAB | H16 | 59.6° | 176.4° |
| H14 | CAK | CAB | H17 | 179.6° | 63.7° |
| H14 | CAK | CAB | H18 | 60.4° | 56.4° |
| H15 | CAK | CAB | H16 | 59.6° | 56.4° |
| H15 | CAK | CAB | H17 | 60.4° | 176.3° |
| H15 | CAK | CAB | H18 | 179.6° | 63.6° |
| H16 | CAB | H17 | H18 | 120.0° | 120.0° |
| H19 | CAJ | CAA | H21 | 59.9° | 180.0° |
| H19 | CAJ | CAA | H22 | 179.9° | 60.0° |
| H19 | CAJ | CAA | H23 | 60.1° | 60.0° |
| H20 | CAJ | CAA | H21 | 59.9° | 60.0° |
| H20 | CAJ | CAA | H22 | 60.1° | 180.0° |
| H20 | CAJ | CAA | H23 | 179.9° | 60.0° |
| H21 | CAA | H22 | H23 | 120.0° | 119.9° |
