16J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAO | CAG | sing | 1.43Å | 1.50Å | |
| OAO | CAH | sing | 1.43Å | 1.47Å | |
| CAG | CAI | sing | 1.53Å | 1.55Å | |
| CAH | CAJ | sing | 1.53Å | 1.56Å | |
| CAI | NAS | sing | 1.47Å | 1.49Å | |
| CAJ | NAS | sing | 1.47Å | 1.48Å | |
| NAS | CAP | sing | 1.35Å | 1.36Å | |
| CAP | OAA | doub | 1.22Å | 1.25Å | |
| CAP | NAT | sing | 1.35Å | 1.34Å | |
| CAF | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.58Å | |
| CAN | NAU | sing | 1.47Å | 1.50Å | |
| CAL | NAT | sing | 1.47Å | 1.46Å | |
| NAT | CAK | sing | 1.47Å | 1.46Å | |
| NAU | CAR | sing | 1.40Å | 1.42Å | |
| NAU | CAM | sing | 1.47Å | 1.45Å | |
| CAR | CAE | doub | 1.39Å | 1.40Å | Aromatic |
| CLA | CAQ | sing | 1.74Å | 1.72Å | |
| CAQ | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAM | sing | 1.53Å | 1.54Å | |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| CAM | H16 | sing | 1.09Å | 1.10Å | |
| CAE | H17 | sing | 1.08Å | 1.08Å | |
| CAC | H18 | sing | 1.08Å | 1.08Å | |
| CAD | H19 | sing | 1.08Å | 1.08Å | |
| CAF | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | OAO | CAH | 112.9° | 114.2° |
| OAO | CAG | CAI | 107.9° | 109.2° |
| OAO | CAG | H3 | 109.9° | 109.6° |
| OAO | CAG | H4 | 109.9° | 109.5° |
| OAO | CAH | CAJ | 122.8° | 109.2° |
| OAO | CAH | H5 | 106.1° | 109.5° |
| OAO | CAH | H6 | 106.1° | 109.5° |
| CAG | CAI | NAS | 109.7° | 108.4° |
| CAG | CAI | H1 | 109.4° | 109.7° |
| CAG | CAI | H2 | 109.4° | 109.7° |
| CAI | CAG | H3 | 109.9° | 109.5° |
| CAI | CAG | H4 | 109.9° | 109.5° |
| CAH | CAJ | NAS | 113.4° | 108.4° |
| CAJ | CAH | H5 | 106.1° | 109.5° |
| CAJ | CAH | H6 | 106.0° | 109.5° |
| CAH | CAJ | H7 | 108.4° | 109.6° |
| CAH | CAJ | H8 | 108.5° | 109.6° |
| CAI | NAS | CAJ | 114.6° | 118.0° |
| CAI | NAS | CAP | 120.2° | 121.0° |
| NAS | CAI | H1 | 109.4° | 109.6° |
| NAS | CAI | H2 | 109.4° | 109.7° |
| CAJ | NAS | CAP | 125.0° | 121.0° |
| NAS | CAJ | H7 | 108.5° | 109.7° |
| NAS | CAJ | H8 | 108.5° | 109.7° |
| NAS | CAP | OAA | 120.2° | 120.0° |
| NAS | CAP | NAT | 124.7° | 120.0° |
| OAA | CAP | NAT | 115.0° | 120.0° |
| CAP | NAT | CAL | 128.0° | 120.9° |
| CAP | NAT | CAK | 116.4° | 120.9° |
| CAD | CAF | CAR | 120.4° | 120.0° |
| CAF | CAD | CAQ | 120.8° | 120.0° |
| CAF | CAD | H19 | 119.6° | 120.0° |
| CAD | CAF | H20 | 119.8° | 120.1° |
| CAF | CAR | NAU | 120.5° | 120.0° |
| CAF | CAR | CAE | 118.0° | 119.9° |
| CAR | CAF | H20 | 119.7° | 120.0° |
| CAD | CAQ | CLA | 118.1° | 119.9° |
| CAD | CAQ | CAC | 119.8° | 120.1° |
| CAQ | CAD | H19 | 119.6° | 120.0° |
| CAL | CAN | NAU | 109.9° | 109.3° |
| CAN | CAL | NAT | 105.7° | 108.5° |
| CAN | CAL | H9 | 110.4° | 109.7° |
| CAN | CAL | H10 | 110.4° | 109.8° |
| CAL | CAN | H11 | 109.3° | 109.5° |
| CAL | CAN | H12 | 109.3° | 109.5° |
| CAN | NAU | CAR | 125.9° | 111.0° |
| CAN | NAU | CAM | 116.3° | 111.5° |
| NAU | CAN | H11 | 109.4° | 109.5° |
| NAU | CAN | H12 | 109.4° | 109.5° |
| CAL | NAT | CAK | 114.5° | 118.2° |
| NAT | CAL | H9 | 110.4° | 109.6° |
| NAT | CAL | H10 | 110.4° | 109.6° |
| NAT | CAK | CAM | 113.3° | 108.5° |
| NAT | CAK | H13 | 108.5° | 109.7° |
| NAT | CAK | H14 | 108.5° | 109.7° |
| CAR | NAU | CAM | 117.8° | 111.1° |
| NAU | CAR | CAE | 121.5° | 120.1° |
| NAU | CAM | CAK | 111.1° | 109.3° |
| NAU | CAM | H15 | 109.1° | 109.6° |
| NAU | CAM | H16 | 109.1° | 109.4° |
| CAR | CAE | CAC | 122.4° | 120.0° |
| CAR | CAE | H17 | 118.8° | 120.0° |
| CLA | CAQ | CAC | 122.0° | 120.0° |
| CAQ | CAC | CAE | 118.6° | 120.1° |
| CAQ | CAC | H18 | 120.7° | 120.0° |
| CAM | CAK | H13 | 108.5° | 109.6° |
| CAM | CAK | H14 | 108.5° | 109.6° |
| CAK | CAM | H15 | 109.1° | 109.5° |
| CAK | CAM | H16 | 109.1° | 109.5° |
| CAC | CAE | H17 | 118.8° | 120.0° |
| CAE | CAC | H18 | 120.7° | 120.0° |
| H1 | CAI | H2 | 109.5° | 109.7° |
| H3 | CAG | H4 | 109.4° | 109.5° |
| H5 | CAH | H6 | 109.5° | 109.6° |
| H7 | CAJ | H8 | 109.5° | 109.7° |
| H9 | CAL | H10 | 109.5° | 109.6° |
| H11 | CAN | H12 | 109.5° | 109.5° |
| H13 | CAK | H14 | 109.5° | 109.7° |
| H15 | CAM | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAO | CAG | CAI | H3 | 119.8° | 120.0° |
| OAO | CAG | CAI | H4 | 119.8° | 119.9° |
| CAG | OAO | CAH | CAJ | 6.4° | 62.5° |
| OAO | CAG | CAI | NAS | 71.0° | 52.3° |
| OAO | CAG | CAI | H1 | 49.0° | 172.0° |
| OAO | CAG | CAI | H2 | 168.9° | 67.5° |
| OAO | CAG | H3 | H4 | 120.7° | 120.1° |
| CAG | OAO | CAH | H5 | 128.2° | 177.5° |
| CAG | OAO | CAH | H6 | 115.4° | 57.3° |
| CAH | OAO | CAG | CAI | 39.5° | 62.5° |
| OAO | CAH | CAJ | H5 | 121.8° | 120.0° |
| OAO | CAH | CAJ | H6 | 121.8° | 119.9° |
| OAO | CAH | CAJ | NAS | 25.7° | 52.3° |
| CAH | OAO | CAG | H3 | 159.3° | 177.5° |
| CAH | OAO | CAG | H4 | 80.3° | 57.4° |
| OAO | CAH | H5 | H6 | 114.0° | 120.1° |
| OAO | CAH | CAJ | H7 | 94.9° | 67.5° |
| OAO | CAH | CAJ | H8 | 146.3° | 172.0° |
| CAG | CAI | NAS | H1 | 120.1° | 119.7° |
| CAG | CAI | NAS | H2 | 120.0° | 119.8° |
| CAG | CAI | NAS | CAJ | 52.0° | 50.5° |
| CAG | CAI | NAS | CAP | 123.3° | 129.5° |
| CAG | CAI | H1 | H2 | 119.9° | 120.6° |
| CAI | CAG | H3 | H4 | 120.7° | 120.1° |
| CAH | CAJ | NAS | CAI | 5.6° | 50.5° |
| CAH | CAJ | NAS | H7 | 120.6° | 119.7° |
| CAH | CAJ | NAS | H8 | 120.6° | 119.7° |
| CAH | CAJ | NAS | CAP | 169.4° | 129.5° |
| CAJ | CAH | H5 | H6 | 114.0° | 120.1° |
| CAH | CAJ | H7 | H8 | 118.2° | 120.5° |
| CAI | NAS | CAJ | CAP | 175.0° | 180.0° |
| CAI | NAS | CAP | OAA | 4.2° | 19.8° |
| CAI | NAS | CAP | NAT | 179.4° | 160.1° |
| NAS | CAI | H1 | H2 | 119.9° | 120.5° |
| NAS | CAI | CAG | H3 | 169.2° | 172.3° |
| NAS | CAI | CAG | H4 | 48.7° | 67.6° |
| CAI | NAS | CAJ | H7 | 126.1° | 69.1° |
| CAI | NAS | CAJ | H8 | 115.0° | 170.2° |
| CAJ | NAS | CAP | OAA | 178.9° | 160.2° |
| CAJ | NAS | CAP | NAT | 4.7° | 19.9° |
| CAJ | NAS | CAI | H1 | 68.1° | 170.3° |
| CAJ | NAS | CAI | H2 | 172.0° | 69.2° |
| NAS | CAJ | CAH | H5 | 147.5° | 172.2° |
| NAS | CAJ | CAH | H6 | 96.1° | 67.6° |
| NAS | CAJ | H7 | H8 | 118.2° | 120.6° |
| NAS | CAP | OAA | NAT | 176.7° | 180.0° |
| NAS | CAP | NAT | CAL | 11.6° | 9.3° |
| NAS | CAP | NAT | CAK | 178.5° | 170.4° |
| CAP | NAS | CAI | H1 | 116.7° | 9.7° |
| CAP | NAS | CAI | H2 | 3.2° | 110.7° |
| CAP | NAS | CAJ | H7 | 48.9° | 110.8° |
| CAP | NAS | CAJ | H8 | 70.0° | 9.8° |
| OAA | CAP | NAT | CAL | 171.8° | 170.7° |
| OAA | CAP | NAT | CAK | 4.9° | 9.6° |
| CAP | NAT | CAL | CAN | 106.0° | 128.8° |
| CAP | NAT | CAL | CAK | 167.1° | 179.7° |
| CAP | NAT | CAK | CAM | 157.3° | 128.9° |
| CAP | NAT | CAL | H9 | 134.6° | 9.1° |
| CAP | NAT | CAL | H10 | 13.4° | 111.2° |
| CAP | NAT | CAK | H13 | 82.2° | 111.4° |
| CAP | NAT | CAK | H14 | 36.7° | 9.1° |
| CAD | CAF | CAR | H20 | 180.0° | 179.6° |
| CAF | CAD | CAQ | H19 | 180.0° | 179.7° |
| CAD | CAF | CAR | NAU | 178.7° | 179.8° |
| CAD | CAF | CAR | CAE | 0.5° | 0.5° |
| CAF | CAD | CAQ | CLA | 179.1° | 179.7° |
| CAF | CAD | CAQ | CAC | 1.1° | 0.3° |
| CAR | CAF | CAD | CAQ | 1.0° | 0.5° |
| CAF | CAR | NAU | CAN | 23.5° | 0.3° |
| CAF | CAR | NAU | CAE | 178.1° | 179.8° |
| CAF | CAR | NAU | CAM | 156.3° | 124.4° |
| CAF | CAR | CAE | CAC | 1.9° | 0.2° |
| CAF | CAR | CAE | H17 | 178.0° | 179.8° |
| CAR | CAF | CAD | H19 | 179.0° | 179.8° |
| CAD | CAQ | CLA | CAC | 179.8° | 180.0° |
| CAD | CAQ | CAC | CAE | 0.2° | 0.0° |
| CAD | CAQ | CAC | H18 | 179.8° | 180.0° |
| CAQ | CAD | CAF | H20 | 179.0° | 179.9° |
| CAL | CAN | NAU | H11 | 120.0° | 119.9° |
| CAL | CAN | NAU | H12 | 120.0° | 120.0° |
| CAN | CAL | NAT | H9 | 119.4° | 119.7° |
| CAN | CAL | NAT | H10 | 119.4° | 119.9° |
| CAN | CAL | NAT | CAK | 61.1° | 51.5° |
| CAL | CAN | NAU | CAR | 177.3° | 172.7° |
| CAL | CAN | NAU | CAM | 2.9° | 62.9° |
| CAN | CAL | H9 | H10 | 121.7° | 120.7° |
| CAL | CAN | H11 | H12 | 119.8° | 120.1° |
| NAU | CAN | CAL | NAT | 56.6° | 53.8° |
| CAN | NAU | CAR | CAM | 179.8° | 124.6° |
| CAN | NAU | CAR | CAE | 158.5° | 180.0° |
| CAN | NAU | CAM | CAK | 47.3° | 62.8° |
| NAU | CAN | CAL | H9 | 62.9° | 173.5° |
| NAU | CAN | CAL | H10 | 176.0° | 66.0° |
| NAU | CAN | H11 | H12 | 119.8° | 120.1° |
| CAN | NAU | CAM | H15 | 167.5° | 177.2° |
| CAN | NAU | CAM | H16 | 72.9° | 57.0° |
| CAL | NAT | CAK | CAM | 11.4° | 51.5° |
| NAT | CAL | H9 | H10 | 121.7° | 120.3° |
| NAT | CAL | CAN | H11 | 63.5° | 66.1° |
| NAT | CAL | CAN | H12 | 176.6° | 173.8° |
| CAL | NAT | CAK | H13 | 109.2° | 68.3° |
| CAL | NAT | CAK | H14 | 132.0° | 171.2° |
| NAT | CAK | CAM | NAU | 44.4° | 53.7° |
| NAT | CAK | CAM | H13 | 120.6° | 119.8° |
| NAT | CAK | CAM | H14 | 120.5° | 119.8° |
| CAK | NAT | CAL | H9 | 58.3° | 171.2° |
| CAK | NAT | CAL | H10 | 179.5° | 68.5° |
| NAT | CAK | H13 | H14 | 118.2° | 120.5° |
| NAT | CAK | CAM | H15 | 164.6° | 173.8° |
| NAT | CAK | CAM | H16 | 75.9° | 66.1° |
| CAR | NAU | CAM | CAK | 132.5° | 172.8° |
| NAU | CAR | CAE | CAC | 179.9° | 180.0° |
| CAR | NAU | CAN | H11 | 62.7° | 67.3° |
| CAR | NAU | CAN | H12 | 57.2° | 52.8° |
| CAR | NAU | CAM | H15 | 12.3° | 52.8° |
| CAR | NAU | CAM | H16 | 107.2° | 67.3° |
| NAU | CAR | CAE | H17 | 0.1° | 0.0° |
| NAU | CAR | CAF | H20 | 1.3° | 0.2° |
| CAM | NAU | CAR | CAE | 21.7° | 55.4° |
| NAU | CAM | CAK | H15 | 120.2° | 120.1° |
| NAU | CAM | CAK | H16 | 120.2° | 119.8° |
| CAM | NAU | CAN | H11 | 117.1° | 57.1° |
| CAM | NAU | CAN | H12 | 123.0° | 177.2° |
| NAU | CAM | CAK | H13 | 164.9° | 66.1° |
| NAU | CAM | CAK | H14 | 76.2° | 173.4° |
| NAU | CAM | H15 | H16 | 119.3° | 120.1° |
| CAR | CAE | CAC | CAQ | 1.8° | 0.0° |
| CAR | CAE | CAC | H17 | 180.0° | 180.0° |
| CAR | CAE | CAC | H18 | 178.2° | 180.0° |
| CAE | CAR | CAF | H20 | 179.5° | 179.9° |
| CLA | CAQ | CAC | CAE | 179.6° | 180.0° |
| CLA | CAQ | CAC | H18 | 0.4° | 0.0° |
| CLA | CAQ | CAD | H19 | 0.9° | 0.0° |
| CAQ | CAC | CAE | H18 | 180.0° | 180.0° |
| CAQ | CAC | CAE | H17 | 178.2° | 180.0° |
| CAC | CAQ | CAD | H19 | 178.9° | 180.0° |
| CAM | CAK | H13 | H14 | 118.3° | 120.4° |
| CAK | CAM | H15 | H16 | 119.3° | 120.1° |
| H1 | CAI | CAG | H3 | 70.8° | 68.0° |
| H1 | CAI | CAG | H4 | 168.8° | 52.1° |
| H2 | CAI | CAG | H3 | 49.2° | 52.5° |
| H2 | CAI | CAG | H4 | 71.3° | 172.6° |
| H5 | CAH | CAJ | H7 | 26.9° | 52.5° |
| H5 | CAH | CAJ | H8 | 91.9° | 68.0° |
| H6 | CAH | CAJ | H7 | 143.3° | 172.7° |
| H6 | CAH | CAJ | H8 | 24.5° | 52.1° |
| H9 | CAL | CAN | H11 | 177.1° | 53.6° |
| H9 | CAL | CAN | H12 | 57.2° | 66.5° |
| H10 | CAL | CAN | H11 | 55.9° | 174.1° |
| H10 | CAL | CAN | H12 | 64.0° | 54.0° |
| H13 | CAK | CAM | H15 | 74.8° | 54.0° |
| H13 | CAK | CAM | H16 | 44.7° | 174.1° |
| H14 | CAK | CAM | H15 | 44.1° | 66.5° |
| H14 | CAK | CAM | H16 | 163.6° | 53.6° |
| H17 | CAE | CAC | H18 | 1.8° | 0.0° |
| H19 | CAD | CAF | H20 | 1.0° | 0.2° |
