6S3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | NAV | sing | 1.47Å | 1.47Å | |
| CAU | NAV | sing | 1.47Å | 1.47Å | |
| CAU | CAT | sing | 1.53Å | 1.52Å | |
| NAV | CAW | sing | 1.47Å | 1.47Å | |
| CAW | CAX | sing | 1.53Å | 1.52Å | |
| CAT | NAS | sing | 1.47Å | 1.48Å | |
| NAS | CAX | sing | 1.47Å | 1.48Å | |
| NAS | CAP | sing | 1.39Å | 1.34Å | |
| CAQ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAM | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | NAG | sing | 1.46Å | 1.48Å | |
| CAO | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | CAH | sing | 1.48Å | 1.48Å | |
| NAG | CAH | sing | 1.38Å | 1.33Å | Aromatic |
| NAG | CAF | sing | 1.38Å | 1.33Å | Aromatic |
| CAH | CAI | doub | 1.36Å | 1.33Å | Aromatic |
| CAF | NAC | doub | 1.32Å | 1.34Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.34Å | Aromatic |
| NAC | CAB | sing | 1.33Å | 1.34Å | Aromatic |
| CAI | CAE | sing | 1.42Å | 1.33Å | Aromatic |
| NAZ | CAJ | sing | 1.35Å | 1.33Å | |
| CAE | CAD | doub | 1.40Å | 1.33Å | Aromatic |
| CAB | CAJ | sing | 1.48Å | 1.50Å | |
| CAB | CAA | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | OBA | doub | 1.22Å | 1.23Å | |
| CAD | CAA | sing | 1.37Å | 1.39Å | Aromatic |
| CAD | CLAK | sing | 1.74Å | 1.72Å | |
| CAT | H1 | sing | 1.09Å | 1.10Å | |
| CAT | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| CAY | H6 | sing | 1.09Å | 1.10Å | |
| CAY | H7 | sing | 1.09Å | 1.10Å | |
| CAY | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAW | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAN | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å | |
| CAR | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAA | H18 | sing | 1.08Å | 1.08Å | |
| NAZ | H19 | sing | 0.97Å | 1.00Å | |
| NAZ | H20 | sing | 0.97Å | 1.00Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAL | H22 | sing | 1.09Å | 1.10Å | |
| CAL | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | NAV | CAU | 109.5° | 111.0° |
| CAY | NAV | CAW | 109.5° | 111.0° |
| NAV | CAY | H6 | 109.5° | 109.4° |
| NAV | CAY | H7 | 109.5° | 109.5° |
| NAV | CAY | H8 | 109.4° | 109.5° |
| NAV | CAU | CAT | 111.0° | 109.4° |
| CAU | NAV | CAW | 109.5° | 110.9° |
| NAV | CAU | H3 | 109.1° | 109.5° |
| NAV | CAU | H4 | 109.1° | 109.5° |
| CAU | CAT | NAS | 111.0° | 109.3° |
| CAU | CAT | H1 | 109.1° | 109.5° |
| CAU | CAT | H2 | 109.1° | 109.6° |
| CAT | CAU | H3 | 109.1° | 109.5° |
| CAT | CAU | H4 | 109.1° | 109.6° |
| NAV | CAW | CAX | 111.0° | 109.3° |
| NAV | CAW | H9 | 109.1° | 109.5° |
| NAV | CAW | H10 | 109.1° | 109.5° |
| CAW | CAX | NAS | 111.0° | 109.3° |
| CAX | CAW | H9 | 109.1° | 109.5° |
| CAX | CAW | H10 | 109.1° | 109.5° |
| CAW | CAX | H11 | 109.1° | 109.5° |
| CAW | CAX | H12 | 109.1° | 109.5° |
| CAT | NAS | CAX | 114.0° | 110.9° |
| CAT | NAS | CAP | 123.0° | 111.0° |
| NAS | CAT | H1 | 109.1° | 109.4° |
| NAS | CAT | H2 | 109.1° | 109.4° |
| CAX | NAS | CAP | 123.0° | 111.0° |
| NAS | CAX | H11 | 109.1° | 109.5° |
| NAS | CAX | H12 | 109.1° | 109.5° |
| NAS | CAP | CAQ | 120.0° | 119.9° |
| NAS | CAP | CAO | 120.0° | 119.9° |
| CAP | CAQ | CAR | 120.0° | 120.1° |
| CAQ | CAP | CAO | 120.0° | 120.1° |
| CAP | CAQ | H15 | 120.0° | 120.0° |
| CAQ | CAR | CAM | 120.0° | 119.9° |
| CAR | CAQ | H15 | 120.0° | 119.9° |
| CAQ | CAR | H16 | 120.0° | 120.0° |
| CAP | CAO | CAN | 120.0° | 120.1° |
| CAP | CAO | H13 | 120.0° | 120.0° |
| CAR | CAM | CAN | 120.1° | 119.9° |
| CAR | CAM | CAH | 120.0° | 120.0° |
| CAM | CAR | H16 | 120.0° | 120.1° |
| CAL | NAG | CAH | 126.6° | 125.5° |
| CAL | NAG | CAF | 126.6° | 125.6° |
| NAG | CAL | H21 | 109.5° | 109.5° |
| NAG | CAL | H22 | 109.5° | 109.5° |
| NAG | CAL | H23 | 109.5° | 109.5° |
| CAO | CAN | CAM | 120.0° | 119.9° |
| CAN | CAO | H13 | 120.0° | 119.9° |
| CAO | CAN | H14 | 120.0° | 120.0° |
| CAN | CAM | CAH | 119.9° | 120.1° |
| CAM | CAN | H14 | 120.0° | 120.1° |
| CAM | CAH | NAG | 125.0° | 125.4° |
| CAM | CAH | CAI | 125.0° | 125.3° |
| CAH | NAG | CAF | 106.8° | 109.0° |
| NAG | CAH | CAI | 110.0° | 109.3° |
| NAG | CAF | NAC | 130.5° | 132.9° |
| NAG | CAF | CAE | 108.3° | 107.1° |
| CAH | CAI | CAE | 106.7° | 107.7° |
| CAH | CAI | H17 | 126.6° | 126.2° |
| NAC | CAF | CAE | 121.2° | 120.0° |
| CAF | NAC | CAB | 120.5° | 121.5° |
| CAF | CAE | CAI | 108.2° | 107.0° |
| CAF | CAE | CAD | 120.5° | 119.4° |
| NAC | CAB | CAJ | 120.3° | 119.4° |
| NAC | CAB | CAA | 119.4° | 121.3° |
| CAI | CAE | CAD | 131.3° | 133.6° |
| CAE | CAI | H17 | 126.6° | 126.1° |
| NAZ | CAJ | CAB | 115.0° | 120.0° |
| NAZ | CAJ | OBA | 124.0° | 120.0° |
| CAJ | NAZ | H19 | 120.0° | 120.0° |
| CAJ | NAZ | H20 | 120.0° | 120.0° |
| CAE | CAD | CAA | 119.9° | 118.2° |
| CAE | CAD | CLAK | 120.0° | 120.9° |
| CAJ | CAB | CAA | 120.3° | 119.4° |
| CAB | CAJ | OBA | 121.0° | 120.0° |
| CAB | CAA | CAD | 118.5° | 119.5° |
| CAB | CAA | H18 | 120.8° | 120.2° |
| CAA | CAD | CLAK | 120.0° | 120.9° |
| CAD | CAA | H18 | 120.7° | 120.2° |
| H1 | CAT | H2 | 109.4° | 109.5° |
| H3 | CAU | H4 | 109.5° | 109.5° |
| H6 | CAY | H7 | 109.4° | 109.5° |
| H6 | CAY | H8 | 109.5° | 109.5° |
| H7 | CAY | H8 | 109.5° | 109.5° |
| H9 | CAW | H10 | 109.5° | 109.5° |
| H11 | CAX | H12 | 109.5° | 109.5° |
| H19 | NAZ | H20 | 120.0° | 120.0° |
| H21 | CAL | H22 | 109.5° | 109.4° |
| H21 | CAL | H23 | 109.4° | 109.5° |
| H22 | CAL | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | NAV | CAU | CAW | 120.1° | 123.8° |
| CAY | NAV | CAU | CAT | 179.4° | 176.8° |
| CAY | NAV | CAW | CAX | 179.4° | 176.8° |
| CAY | NAV | CAU | H3 | 60.4° | 56.9° |
| CAY | NAV | CAU | H4 | 59.2° | 63.2° |
| NAV | CAY | H6 | H7 | 120.0° | 120.0° |
| NAV | CAY | H6 | H8 | 120.0° | 119.9° |
| NAV | CAY | H7 | H8 | 120.0° | 120.0° |
| CAY | NAV | CAW | H9 | 59.2° | 56.8° |
| CAY | NAV | CAW | H10 | 60.4° | 63.2° |
| NAV | CAU | CAT | H3 | 120.3° | 119.9° |
| NAV | CAU | CAT | H4 | 120.2° | 120.0° |
| CAU | NAV | CAW | CAX | 60.5° | 59.4° |
| NAV | CAU | CAT | NAS | 54.7° | 58.5° |
| NAV | CAU | CAT | H1 | 175.0° | 178.4° |
| NAV | CAU | CAT | H2 | 65.5° | 61.5° |
| NAV | CAU | H3 | H4 | 119.3° | 120.0° |
| CAU | NAV | CAY | H6 | 180.0° | 60.0° |
| CAU | NAV | CAY | H7 | 60.0° | 180.0° |
| CAU | NAV | CAY | H8 | 60.0° | 60.0° |
| CAU | NAV | CAW | H9 | 179.3° | 179.3° |
| CAU | NAV | CAW | H10 | 59.7° | 60.6° |
| CAT | CAU | NAV | CAW | 60.5° | 59.4° |
| CAU | CAT | NAS | H1 | 120.2° | 120.0° |
| CAU | CAT | NAS | H2 | 120.3° | 120.0° |
| CAU | CAT | NAS | CAX | 49.8° | 59.3° |
| CAU | CAT | NAS | CAP | 130.2° | 176.8° |
| CAU | CAT | H1 | H2 | 119.3° | 120.2° |
| CAT | CAU | H3 | H4 | 119.3° | 120.1° |
| NAV | CAW | CAX | H9 | 120.2° | 119.9° |
| NAV | CAW | CAX | H10 | 120.2° | 120.0° |
| NAV | CAW | CAX | NAS | 54.8° | 58.4° |
| CAW | NAV | CAU | H3 | 59.7° | 179.3° |
| CAW | NAV | CAU | H4 | 179.2° | 60.7° |
| CAW | NAV | CAY | H6 | 59.9° | 63.8° |
| CAW | NAV | CAY | H7 | 179.9° | 56.2° |
| CAW | NAV | CAY | H8 | 60.1° | 176.3° |
| NAV | CAW | H9 | H10 | 119.3° | 120.1° |
| NAV | CAW | CAX | H11 | 65.5° | 61.6° |
| NAV | CAW | CAX | H12 | 175.0° | 178.4° |
| CAW | CAX | NAS | CAT | 49.8° | 59.3° |
| CAW | CAX | NAS | H11 | 120.3° | 120.0° |
| CAW | CAX | NAS | H12 | 120.3° | 119.9° |
| CAW | CAX | NAS | CAP | 130.2° | 176.8° |
| CAX | CAW | H9 | H10 | 119.3° | 120.1° |
| CAW | CAX | H11 | H12 | 119.3° | 120.0° |
| CAT | NAS | CAX | CAP | 180.0° | 123.9° |
| CAT | NAS | CAP | CAQ | 29.0° | 0.3° |
| CAT | NAS | CAP | CAO | 151.0° | 180.0° |
| NAS | CAT | H1 | H2 | 119.3° | 120.0° |
| NAS | CAT | CAU | H3 | 65.5° | 178.4° |
| NAS | CAT | CAU | H4 | 175.0° | 61.6° |
| CAT | NAS | CAX | H11 | 70.5° | 60.6° |
| CAT | NAS | CAX | H12 | 170.0° | 179.3° |
| CAX | NAS | CAP | CAQ | 151.0° | 124.1° |
| CAX | NAS | CAP | CAO | 29.0° | 56.2° |
| CAX | NAS | CAT | H1 | 170.0° | 179.3° |
| CAX | NAS | CAT | H2 | 70.5° | 60.7° |
| NAS | CAX | CAW | H9 | 175.0° | 178.4° |
| NAS | CAX | CAW | H10 | 65.5° | 61.6° |
| NAS | CAX | H11 | H12 | 119.3° | 120.1° |
| NAS | CAP | CAQ | CAO | 180.0° | 179.7° |
| NAS | CAP | CAQ | CAR | 180.0° | 180.0° |
| NAS | CAP | CAO | CAN | 180.0° | 180.0° |
| CAP | NAS | CAT | H1 | 10.0° | 56.8° |
| CAP | NAS | CAT | H2 | 109.5° | 63.2° |
| CAP | NAS | CAX | H11 | 109.5° | 63.2° |
| CAP | NAS | CAX | H12 | 10.0° | 56.9° |
| NAS | CAP | CAO | H13 | 0.0° | 0.1° |
| NAS | CAP | CAQ | H15 | 0.1° | 0.0° |
| CAP | CAQ | CAR | H15 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAM | 0.1° | 0.0° |
| CAQ | CAP | CAO | CAN | 0.0° | 0.3° |
| CAQ | CAP | CAO | H13 | 180.0° | 179.8° |
| CAP | CAQ | CAR | H16 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.0° | 0.3° |
| CAQ | CAR | CAM | H16 | 180.0° | 179.9° |
| CAQ | CAR | CAM | CAN | 0.0° | 0.3° |
| CAQ | CAR | CAM | CAH | 180.0° | 180.0° |
| CAP | CAO | CAN | H13 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 0.1° | 0.0° |
| CAP | CAO | CAN | H14 | 180.0° | 180.0° |
| CAO | CAP | CAQ | H15 | 180.0° | 179.7° |
| CAR | CAM | CAN | CAO | 0.0° | 0.3° |
| CAR | CAM | CAN | CAH | 180.0° | 179.7° |
| CAR | CAM | CAH | NAG | 36.2° | 22.2° |
| CAR | CAM | CAH | CAI | 143.7° | 158.2° |
| CAR | CAM | CAN | H14 | 180.0° | 179.7° |
| CAM | CAR | CAQ | H15 | 179.9° | 180.0° |
| CAL | NAG | CAH | CAM | 0.1° | 0.1° |
| CAL | NAG | CAH | CAF | 179.9° | 179.8° |
| CAL | NAG | CAH | CAI | 180.0° | 179.8° |
| CAL | NAG | CAF | NAC | 0.1° | 0.2° |
| CAL | NAG | CAF | CAE | 180.0° | 179.8° |
| NAG | CAL | H21 | H22 | 120.0° | 120.0° |
| NAG | CAL | H21 | H23 | 120.0° | 120.0° |
| NAG | CAL | H22 | H23 | 120.0° | 120.0° |
| CAO | CAN | CAM | H14 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAH | 180.0° | 180.0° |
| CAN | CAM | CAH | NAG | 143.8° | 157.5° |
| CAN | CAM | CAH | CAI | 36.3° | 22.1° |
| CAM | CAN | CAO | H13 | 180.0° | 179.9° |
| CAN | CAM | CAR | H16 | 180.0° | 179.7° |
| CAM | CAH | NAG | CAI | 179.9° | 179.7° |
| CAM | CAH | NAG | CAF | 180.0° | 179.9° |
| CAM | CAH | CAI | CAE | 180.0° | 179.9° |
| CAH | CAM | CAN | H14 | 0.0° | 0.0° |
| CAH | CAM | CAR | H16 | 0.0° | 0.0° |
| CAM | CAH | CAI | H17 | 0.0° | 0.2° |
| CAH | NAG | CAF | NAC | 180.0° | 180.0° |
| CAH | NAG | CAF | CAE | 0.0° | 0.4° |
| NAG | CAH | CAI | CAE | 0.0° | 0.3° |
| NAG | CAH | CAI | H17 | 179.9° | 179.8° |
| CAH | NAG | CAL | H21 | 180.0° | 84.1° |
| CAH | NAG | CAL | H22 | 60.0° | 155.9° |
| CAH | NAG | CAL | H23 | 60.0° | 35.9° |
| CAF | NAG | CAH | CAI | 0.1° | 0.4° |
| NAG | CAF | NAC | CAE | 179.9° | 179.6° |
| NAG | CAF | NAC | CAB | 180.0° | 179.7° |
| NAG | CAF | CAE | CAI | 0.0° | 0.3° |
| NAG | CAF | CAE | CAD | 179.9° | 179.8° |
| CAF | NAG | CAL | H21 | 0.1° | 95.6° |
| CAF | NAG | CAL | H22 | 120.0° | 24.4° |
| CAF | NAG | CAL | H23 | 120.1° | 144.3° |
| CAH | CAI | CAE | CAF | 0.0° | 0.0° |
| CAH | CAI | CAE | H17 | 180.0° | 179.9° |
| CAH | CAI | CAE | CAD | 180.0° | 180.0° |
| NAC | CAF | CAE | CAI | 180.0° | 179.9° |
| NAC | CAF | CAE | CAD | 0.0° | 0.1° |
| CAF | NAC | CAB | CAJ | 180.0° | 179.9° |
| CAF | NAC | CAB | CAA | 0.1° | 0.1° |
| CAE | CAF | NAC | CAB | 0.1° | 0.1° |
| CAF | CAE | CAI | CAD | 179.9° | 180.0° |
| CAF | CAE | CAD | CAA | 0.1° | 0.1° |
| CAF | CAE | CAD | CLAK | 180.0° | 180.0° |
| CAF | CAE | CAI | H17 | 180.0° | 179.9° |
| NAC | CAB | CAJ | NAZ | 10.8° | 0.0° |
| NAC | CAB | CAJ | CAA | 180.0° | 180.0° |
| NAC | CAB | CAJ | OBA | 169.2° | 180.0° |
| NAC | CAB | CAA | CAD | 0.0° | 0.0° |
| NAC | CAB | CAA | H18 | 180.0° | 180.0° |
| CAI | CAE | CAD | CAA | 180.0° | 180.0° |
| CAI | CAE | CAD | CLAK | 0.1° | 0.0° |
| NAZ | CAJ | CAB | OBA | 180.0° | 180.0° |
| NAZ | CAJ | CAB | CAA | 169.2° | 180.0° |
| CAJ | NAZ | H19 | H20 | 180.0° | 180.0° |
| CAE | CAD | CAA | CAB | 0.0° | 0.0° |
| CAE | CAD | CAA | CLAK | 179.9° | 179.9° |
| CAD | CAE | CAI | H17 | 0.0° | 0.1° |
| CAE | CAD | CAA | H18 | 180.0° | 180.0° |
| CAJ | CAB | CAA | CAD | 180.0° | 180.0° |
| CAJ | CAB | CAA | H18 | 0.0° | 0.0° |
| CAB | CAJ | NAZ | H19 | 180.0° | 0.0° |
| CAB | CAJ | NAZ | H20 | 0.0° | 180.0° |
| CAA | CAB | CAJ | OBA | 10.9° | 0.1° |
| CAB | CAA | CAD | H18 | 180.0° | 180.0° |
| CAB | CAA | CAD | CLAK | 180.0° | 180.0° |
| OBA | CAJ | NAZ | H19 | 0.0° | 180.0° |
| OBA | CAJ | NAZ | H20 | 180.0° | 0.0° |
| CLAK | CAD | CAA | H18 | 0.0° | 0.1° |
| H1 | CAT | CAU | H3 | 54.7° | 61.7° |
| H1 | CAT | CAU | H4 | 64.8° | 58.3° |
| H2 | CAT | CAU | H3 | 174.3° | 58.4° |
| H2 | CAT | CAU | H4 | 54.7° | 178.5° |
| H6 | CAY | H7 | H8 | 120.0° | 120.0° |
| H9 | CAW | CAX | H11 | 54.8° | 58.4° |
| H9 | CAW | CAX | H12 | 64.8° | 61.7° |
| H10 | CAW | CAX | H11 | 174.3° | 178.4° |
| H10 | CAW | CAX | H12 | 54.8° | 58.4° |
| H13 | CAO | CAN | H14 | 0.0° | 0.0° |
| H15 | CAQ | CAR | H16 | 0.0° | 0.1° |
| H21 | CAL | H22 | H23 | 119.9° | 120.0° |
