UIY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAB | sing | 1.47Å | 1.48Å | |
| CAC | CAD | sing | 1.54Å | 1.53Å | |
| NAB | CAA | sing | 1.34Å | 1.41Å | |
| CAD | NAE | sing | 1.47Å | 1.47Å | |
| CAA | NAE | sing | 1.34Å | 1.44Å | |
| CAA | OAF | doub | 1.22Å | 1.25Å | |
| NAE | CAG | sing | 1.40Å | 1.43Å | |
| CBB | CBC | sing | 1.53Å | 1.55Å | |
| CBB | OBA | sing | 1.43Å | 1.44Å | |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.36Å | Aromatic |
| CAG | CAL | sing | 1.39Å | 1.42Å | Aromatic |
| CAZ | OBA | sing | 1.43Å | 1.43Å | |
| CAZ | CAU | sing | 1.51Å | 1.49Å | |
| CAI | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.37Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.34Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.37Å | Aromatic |
| CAJ | CAM | sing | 1.48Å | 1.44Å | |
| CAW | CAX | doub | 1.38Å | 1.37Å | Aromatic |
| OAN | CAM | sing | 1.35Å | 1.38Å | Aromatic |
| OAN | CAO | sing | 1.34Å | 1.35Å | Aromatic |
| CAS | CAX | sing | 1.39Å | 1.42Å | Aromatic |
| CAS | NBD | sing | 1.40Å | 1.42Å | |
| CAX | CAY | sing | 1.51Å | 1.50Å | |
| CAM | CAQ | doub | 1.36Å | 1.36Å | Aromatic |
| CAO | NBD | sing | 1.38Å | 1.36Å | |
| CAO | NAP | doub | 1.31Å | 1.36Å | Aromatic |
| CAQ | NAP | sing | 1.34Å | 1.41Å | Aromatic |
| CAD | H1 | sing | 1.09Å | 1.10Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| NAB | H5 | sing | 0.97Å | 1.00Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAQ | H10 | sing | 1.08Å | 1.08Å | |
| NBD | H11 | sing | 0.97Å | 1.00Å | |
| CAY | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAV | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å | |
| CAZ | H18 | sing | 1.09Å | 1.10Å | |
| CAZ | H19 | sing | 1.09Å | 1.10Å | |
| CBB | H20 | sing | 1.09Å | 1.10Å | |
| CBB | H21 | sing | 1.09Å | 1.10Å | |
| CBC | H22 | sing | 1.09Å | 1.10Å | |
| CBC | H23 | sing | 1.09Å | 1.10Å | |
| CBC | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAC | CAD | 103.1° | 103.9° |
| CAC | NAB | CAA | 110.4° | 109.2° |
| NAB | CAC | H3 | 111.0° | 110.5° |
| NAB | CAC | H4 | 111.0° | 110.6° |
| CAC | NAB | H5 | 124.8° | 125.4° |
| CAC | CAD | NAE | 99.5° | 103.9° |
| CAC | CAD | H1 | 111.9° | 110.6° |
| CAC | CAD | H2 | 111.9° | 110.7° |
| CAD | CAC | H3 | 111.0° | 110.9° |
| CAD | CAC | H4 | 111.0° | 110.2° |
| NAB | CAA | NAE | 104.6° | 113.9° |
| NAB | CAA | OAF | 125.5° | 123.0° |
| CAA | NAB | H5 | 124.8° | 125.4° |
| CAD | NAE | CAA | 110.0° | 109.2° |
| CAD | NAE | CAG | 122.7° | 125.4° |
| NAE | CAD | H1 | 111.9° | 110.5° |
| NAE | CAD | H2 | 111.9° | 110.6° |
| NAE | CAA | OAF | 129.9° | 123.0° |
| CAA | NAE | CAG | 126.6° | 125.4° |
| NAE | CAG | CAH | 119.5° | 119.9° |
| NAE | CAG | CAL | 120.4° | 119.9° |
| CBC | CBB | OBA | 108.7° | 109.5° |
| CBC | CBB | H20 | 109.7° | 109.5° |
| CBC | CBB | H21 | 109.7° | 109.4° |
| CBB | CBC | H22 | 109.5° | 109.4° |
| CBB | CBC | H23 | 109.5° | 109.5° |
| CBB | CBC | H24 | 109.5° | 109.5° |
| CBB | OBA | CAZ | 117.0° | 114.0° |
| OBA | CBB | H20 | 109.7° | 109.4° |
| OBA | CBB | H21 | 109.7° | 109.5° |
| CAG | CAH | CAI | 117.9° | 120.1° |
| CAH | CAG | CAL | 120.1° | 120.2° |
| CAG | CAH | H6 | 121.1° | 119.9° |
| CAH | CAI | CAJ | 122.0° | 120.0° |
| CAI | CAH | H6 | 121.1° | 120.0° |
| CAH | CAI | H7 | 119.0° | 120.1° |
| CAG | CAL | CAK | 120.5° | 120.1° |
| CAG | CAL | H9 | 119.8° | 119.9° |
| OBA | CAZ | CAU | 105.4° | 109.5° |
| OBA | CAZ | H18 | 110.5° | 109.5° |
| OBA | CAZ | H19 | 110.4° | 109.5° |
| CAZ | CAU | CAV | 119.2° | 120.0° |
| CAZ | CAU | CAT | 120.4° | 119.9° |
| CAU | CAZ | H18 | 110.5° | 109.5° |
| CAU | CAZ | H19 | 110.5° | 109.4° |
| CAI | CAJ | CAK | 120.3° | 119.8° |
| CAI | CAJ | CAM | 114.7° | 120.1° |
| CAJ | CAI | H7 | 119.0° | 120.0° |
| CAL | CAK | CAJ | 119.3° | 119.9° |
| CAL | CAK | H8 | 120.4° | 120.1° |
| CAK | CAL | H9 | 119.7° | 120.0° |
| CAV | CAU | CAT | 120.4° | 120.1° |
| CAU | CAV | CAW | 119.6° | 120.2° |
| CAU | CAV | H16 | 120.2° | 119.9° |
| CAU | CAT | CAS | 121.4° | 119.9° |
| CAU | CAT | H17 | 119.3° | 120.1° |
| CAV | CAW | CAX | 122.5° | 120.0° |
| CAV | CAW | H15 | 118.7° | 120.0° |
| CAW | CAV | H16 | 120.2° | 119.9° |
| CAT | CAS | CAX | 117.1° | 119.9° |
| CAT | CAS | NBD | 124.1° | 120.0° |
| CAS | CAT | H17 | 119.3° | 120.0° |
| CAK | CAJ | CAM | 125.0° | 120.1° |
| CAJ | CAK | H8 | 120.4° | 120.0° |
| CAJ | CAM | OAN | 115.9° | 126.5° |
| CAJ | CAM | CAQ | 135.7° | 126.5° |
| CAW | CAX | CAS | 119.0° | 119.9° |
| CAW | CAX | CAY | 117.4° | 120.0° |
| CAX | CAW | H15 | 118.8° | 120.0° |
| CAM | OAN | CAO | 106.1° | 107.7° |
| OAN | CAM | CAQ | 108.3° | 107.0° |
| OAN | CAO | NBD | 120.9° | 125.6° |
| OAN | CAO | NAP | 112.6° | 108.9° |
| CAX | CAS | NBD | 118.3° | 120.1° |
| CAS | CAX | CAY | 123.4° | 120.0° |
| CAS | NBD | CAO | 131.1° | 120.0° |
| CAS | NBD | H11 | 114.4° | 120.0° |
| CAX | CAY | H12 | 109.5° | 109.5° |
| CAX | CAY | H13 | 109.5° | 109.5° |
| CAX | CAY | H14 | 109.5° | 109.5° |
| CAM | CAQ | NAP | 109.1° | 107.6° |
| CAM | CAQ | H10 | 125.5° | 126.2° |
| NBD | CAO | NAP | 126.2° | 125.5° |
| CAO | NBD | H11 | 114.4° | 119.9° |
| CAO | NAP | CAQ | 103.9° | 108.8° |
| NAP | CAQ | H10 | 125.4° | 126.2° |
| H1 | CAD | H2 | 109.5° | 110.5° |
| H3 | CAC | H4 | 109.5° | 110.6° |
| H12 | CAY | H13 | 109.5° | 109.5° |
| H12 | CAY | H14 | 109.5° | 109.4° |
| H13 | CAY | H14 | 109.5° | 109.4° |
| H18 | CAZ | H19 | 109.5° | 109.5° |
| H20 | CBB | H21 | 109.4° | 109.5° |
| H22 | CBC | H23 | 109.5° | 109.5° |
| H22 | CBC | H24 | 109.4° | 109.5° |
| H23 | CBC | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAC | CAD | H3 | 118.9° | 118.7° |
| NAB | CAC | CAD | H4 | 119.0° | 118.5° |
| CAC | NAB | CAA | H5 | 180.0° | 179.6° |
| NAB | CAC | CAD | NAE | 32.2° | 0.2° |
| CAC | NAB | CAA | NAE | 0.7° | 0.4° |
| CAC | NAB | CAA | OAF | 179.6° | 179.9° |
| NAB | CAC | CAD | H1 | 150.5° | 118.8° |
| NAB | CAC | CAD | H2 | 86.1° | 118.4° |
| NAB | CAC | H3 | H4 | 122.9° | 122.8° |
| CAD | CAC | NAB | CAA | 21.5° | 0.4° |
| CAC | CAD | NAE | H1 | 118.4° | 118.6° |
| CAC | CAD | NAE | H2 | 118.4° | 118.8° |
| CAC | CAD | NAE | CAA | 34.3° | 0.0° |
| CAC | CAD | NAE | CAG | 154.8° | 180.0° |
| CAC | CAD | H1 | H2 | 124.7° | 122.9° |
| CAD | CAC | H3 | H4 | 123.0° | 122.6° |
| CAD | CAC | NAB | H5 | 158.5° | 180.0° |
| NAB | CAA | NAE | CAD | 22.2° | 0.2° |
| NAB | CAA | NAE | OAF | 179.7° | 179.7° |
| NAB | CAA | NAE | CAG | 167.3° | 179.8° |
| CAA | NAB | CAC | H3 | 97.5° | 118.6° |
| CAA | NAB | CAC | H4 | 140.5° | 118.6° |
| CAD | NAE | CAA | CAG | 170.5° | 180.0° |
| CAD | NAE | CAA | OAF | 157.5° | 180.0° |
| CAD | NAE | CAG | CAH | 3.6° | 5.5° |
| CAD | NAE | CAG | CAL | 174.0° | 174.3° |
| NAE | CAD | H1 | H2 | 124.7° | 122.7° |
| NAE | CAD | CAC | H3 | 86.7° | 118.5° |
| NAE | CAD | CAC | H4 | 151.2° | 118.7° |
| CAA | NAE | CAG | CAH | 165.9° | 174.5° |
| CAA | NAE | CAG | CAL | 16.5° | 5.7° |
| CAA | NAE | CAD | H1 | 152.6° | 118.6° |
| CAA | NAE | CAD | H2 | 84.1° | 118.7° |
| NAE | CAA | NAB | H5 | 179.3° | 179.9° |
| OAF | CAA | NAE | CAG | 13.0° | 0.0° |
| OAF | CAA | NAB | H5 | 0.4° | 0.2° |
| NAE | CAG | CAH | CAL | 177.6° | 179.8° |
| NAE | CAG | CAH | CAI | 177.5° | 180.0° |
| NAE | CAG | CAL | CAK | 177.1° | 179.7° |
| CAG | NAE | CAD | H1 | 36.4° | 61.4° |
| CAG | NAE | CAD | H2 | 86.9° | 61.2° |
| NAE | CAG | CAH | H6 | 2.5° | 0.1° |
| NAE | CAG | CAL | H9 | 2.9° | 0.1° |
| CBC | CBB | OBA | H20 | 119.9° | 120.0° |
| CBC | CBB | OBA | H21 | 119.9° | 120.0° |
| CBC | CBB | OBA | CAZ | 155.7° | 180.0° |
| CBC | CBB | H20 | H21 | 120.3° | 120.0° |
| CBB | CBC | H22 | H23 | 120.0° | 120.0° |
| CBB | CBC | H22 | H24 | 120.0° | 120.0° |
| CBB | CBC | H23 | H24 | 120.0° | 120.0° |
| CBB | OBA | CAZ | CAU | 157.3° | 180.0° |
| CBB | OBA | CAZ | H18 | 37.9° | 60.0° |
| CBB | OBA | CAZ | H19 | 83.3° | 60.0° |
| OBA | CBB | H20 | H21 | 120.3° | 120.0° |
| OBA | CBB | CBC | H22 | 180.0° | 180.0° |
| OBA | CBB | CBC | H23 | 60.0° | 60.0° |
| OBA | CBB | CBC | H24 | 60.0° | 60.0° |
| CAG | CAH | CAI | H6 | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 0.0° | 0.0° |
| CAH | CAG | CAL | CAK | 0.5° | 0.5° |
| CAG | CAH | CAI | H7 | 180.0° | 180.0° |
| CAH | CAG | CAL | H9 | 179.5° | 179.7° |
| CAI | CAH | CAG | CAL | 0.1° | 0.2° |
| CAH | CAI | CAJ | H7 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.3° | 0.0° |
| CAH | CAI | CAJ | CAM | 177.5° | 179.9° |
| CAG | CAL | CAK | H9 | 180.0° | 179.8° |
| CAG | CAL | CAK | CAJ | 0.8° | 0.5° |
| CAL | CAG | CAH | H6 | 179.9° | 179.7° |
| CAG | CAL | CAK | H8 | 179.2° | 179.8° |
| OBA | CAZ | CAU | H18 | 119.4° | 120.0° |
| OBA | CAZ | CAU | H19 | 119.3° | 120.0° |
| OBA | CAZ | CAU | CAV | 159.2° | 90.0° |
| OBA | CAZ | CAU | CAT | 23.3° | 89.8° |
| OBA | CAZ | H18 | H19 | 121.8° | 120.1° |
| CAZ | OBA | CBB | H20 | 35.8° | 60.0° |
| CAZ | OBA | CBB | H21 | 84.4° | 60.0° |
| CAZ | CAU | CAV | CAT | 177.5° | 179.8° |
| CAZ | CAU | CAV | CAW | 176.2° | 180.0° |
| CAZ | CAU | CAT | CAS | 176.7° | 179.7° |
| CAZ | CAU | CAV | H16 | 3.7° | 0.1° |
| CAZ | CAU | CAT | H17 | 3.2° | 0.2° |
| CAU | CAZ | H18 | H19 | 121.9° | 119.9° |
| CAI | CAJ | CAK | CAL | 0.7° | 0.3° |
| CAI | CAJ | CAK | CAM | 176.9° | 179.9° |
| CAI | CAJ | CAM | OAN | 5.3° | 0.3° |
| CAI | CAJ | CAM | CAQ | 170.2° | 180.0° |
| CAJ | CAI | CAH | H6 | 180.0° | 180.0° |
| CAI | CAJ | CAK | H8 | 179.3° | 180.0° |
| CAL | CAK | CAJ | H8 | 180.0° | 179.7° |
| CAL | CAK | CAJ | CAM | 177.6° | 179.8° |
| CAU | CAV | CAW | H16 | 180.0° | 179.9° |
| CAV | CAU | CAT | CAS | 0.7° | 0.5° |
| CAU | CAV | CAW | CAX | 0.2° | 0.1° |
| CAU | CAV | CAW | H15 | 179.8° | 180.0° |
| CAV | CAU | CAT | H17 | 179.3° | 180.0° |
| CAV | CAU | CAZ | H18 | 81.5° | 149.9° |
| CAV | CAU | CAZ | H19 | 39.8° | 29.9° |
| CAT | CAU | CAV | CAW | 1.2° | 0.2° |
| CAU | CAT | CAS | H17 | 180.0° | 179.4° |
| CAU | CAT | CAS | CAX | 0.8° | 0.6° |
| CAU | CAT | CAS | NBD | 173.1° | 179.8° |
| CAT | CAU | CAV | H16 | 178.8° | 179.7° |
| CAT | CAU | CAZ | H18 | 96.0° | 30.3° |
| CAT | CAU | CAZ | H19 | 142.7° | 150.3° |
| CAV | CAW | CAX | H15 | 180.0° | 179.9° |
| CAV | CAW | CAX | CAS | 1.3° | 0.0° |
| CAV | CAW | CAX | CAY | 173.7° | 180.0° |
| CAT | CAS | CAX | CAW | 1.7° | 0.3° |
| CAT | CAS | CAX | NBD | 172.7° | 179.7° |
| CAT | CAS | CAX | CAY | 172.9° | 179.7° |
| CAT | CAS | NBD | CAO | 19.4° | 8.3° |
| CAT | CAS | NBD | H11 | 160.6° | 171.7° |
| CAK | CAJ | CAM | OAN | 177.7° | 179.7° |
| CAK | CAJ | CAM | CAQ | 6.8° | 0.1° |
| CAK | CAJ | CAI | H7 | 179.7° | 180.0° |
| CAJ | CAK | CAL | H9 | 179.2° | 179.7° |
| CAJ | CAM | OAN | CAQ | 176.7° | 179.8° |
| CAJ | CAM | OAN | CAO | 174.6° | 179.9° |
| CAJ | CAM | CAQ | NAP | 173.3° | 180.0° |
| CAM | CAJ | CAI | H7 | 2.5° | 0.0° |
| CAM | CAJ | CAK | H8 | 2.4° | 0.0° |
| CAJ | CAM | CAQ | H10 | 6.7° | 0.1° |
| CAW | CAX | CAS | CAY | 174.6° | 180.0° |
| CAW | CAX | CAS | NBD | 174.5° | 180.0° |
| CAW | CAX | CAY | H12 | 92.3° | 90.0° |
| CAW | CAX | CAY | H13 | 147.7° | 30.0° |
| CAW | CAX | CAY | H14 | 27.7° | 150.0° |
| CAX | CAW | CAV | H16 | 179.8° | 180.0° |
| CAM | OAN | CAO | NBD | 175.6° | 179.8° |
| CAM | OAN | CAO | NAP | 1.1° | 0.3° |
| OAN | CAM | CAQ | NAP | 2.4° | 0.2° |
| OAN | CAM | CAQ | H10 | 177.6° | 179.7° |
| OAN | CAO | NBD | CAS | 18.5° | 172.8° |
| CAO | OAN | CAM | CAQ | 2.1° | 0.3° |
| OAN | CAO | NBD | NAP | 173.7° | 179.8° |
| OAN | CAO | NAP | CAQ | 0.4° | 0.2° |
| OAN | CAO | NBD | H11 | 161.4° | 7.2° |
| CAX | CAS | NBD | CAO | 152.8° | 171.4° |
| CAX | CAS | NBD | H11 | 27.2° | 8.6° |
| CAS | CAX | CAY | H12 | 93.0° | 90.0° |
| CAS | CAX | CAY | H13 | 27.0° | 150.0° |
| CAS | CAX | CAY | H14 | 147.0° | 30.0° |
| CAS | CAX | CAW | H15 | 178.7° | 179.9° |
| CAX | CAS | CAT | H17 | 179.2° | 180.0° |
| NBD | CAS | CAX | CAY | 0.2° | 0.0° |
| CAS | NBD | CAO | H11 | 180.0° | 180.0° |
| CAS | NBD | CAO | NAP | 155.2° | 7.0° |
| NBD | CAS | CAT | H17 | 6.9° | 0.3° |
| CAX | CAY | H12 | H13 | 120.0° | 120.0° |
| CAX | CAY | H12 | H14 | 120.0° | 120.0° |
| CAX | CAY | H13 | H14 | 120.0° | 120.0° |
| CAY | CAX | CAW | H15 | 6.3° | 0.1° |
| CAM | CAQ | NAP | CAO | 1.7° | 0.0° |
| CAM | CAQ | NAP | H10 | 180.0° | 179.9° |
| NBD | CAO | NAP | CAQ | 173.8° | 180.0° |
| CAO | NAP | CAQ | H10 | 178.3° | 179.9° |
| NAP | CAO | NBD | H11 | 24.9° | 173.0° |
| H1 | CAD | CAC | H3 | 31.6° | 0.0° |
| H1 | CAD | CAC | H4 | 90.5° | 122.7° |
| H2 | CAD | CAC | H3 | 154.9° | 122.8° |
| H2 | CAD | CAC | H4 | 32.8° | 0.1° |
| H3 | CAC | NAB | H5 | 82.6° | 61.1° |
| H4 | CAC | NAB | H5 | 39.5° | 61.7° |
| H6 | CAH | CAI | H7 | 0.0° | 0.1° |
| H8 | CAK | CAL | H9 | 0.8° | 0.1° |
| H12 | CAY | H13 | H14 | 120.0° | 119.9° |
| H15 | CAW | CAV | H16 | 0.2° | 0.1° |
| H20 | CBB | CBC | H22 | 60.1° | 60.0° |
| H20 | CBB | CBC | H23 | 59.9° | 180.0° |
| H20 | CBB | CBC | H24 | 179.9° | 60.0° |
| H21 | CBB | CBC | H22 | 60.1° | 60.0° |
| H21 | CBB | CBC | H23 | 179.9° | 60.0° |
| H21 | CBB | CBC | H24 | 59.9° | 180.0° |
| H22 | CBC | H23 | H24 | 120.0° | 120.0° |
