CUX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAR | sing | 1.43Å | 1.44Å | |
| CLA | CAW | sing | 1.74Å | 1.70Å | |
| CAW | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAR | sing | 1.51Å | 1.43Å | |
| CAR | CAM | sing | 1.53Å | 1.55Å | |
| CBB | CBA | sing | 1.51Å | 1.54Å | |
| OAL | CAM | sing | 1.44Å | 1.44Å | |
| OAL | CAK | sing | 1.44Å | 1.40Å | |
| CAM | CAN | sing | 1.54Å | 1.53Å | |
| CBA | NAA | sing | 1.46Å | 1.35Å | |
| CAH | CAI | doub | 1.34Å | 1.32Å | Aromatic |
| CAH | NAG | sing | 1.37Å | 1.34Å | Aromatic |
| CAI | C5 | sing | 1.46Å | 1.34Å | Aromatic |
| NAG | CAK | sing | 1.47Å | 1.47Å | |
| NAG | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| CAN | CAP | sing | 1.55Å | 1.51Å | |
| CAN | OAO | sing | 1.43Å | 1.45Å | |
| CAK | CAP | sing | 1.55Å | 1.50Å | |
| C5 | C4 | doub | 1.41Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.36Å | Aromatic |
| NAA | C6 | sing | 1.38Å | 1.34Å | |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| CAP | OAQ | sing | 1.43Å | 1.43Å | |
| N3 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| CBB | H1 | sing | 1.08Å | 1.08Å | |
| CBA | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| OAQ | H10 | sing | 0.97Å | 0.95Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| OAO | H12 | sing | 0.97Å | 0.95Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAR | H14 | sing | 1.09Å | 1.10Å | |
| OAS | H15 | sing | 0.97Å | 0.95Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| CAV | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| CAY | H19 | sing | 1.08Å | 1.08Å | |
| CBA | H20 | sing | 1.09Å | 1.10Å | |
| NAA | H21 | sing | 0.97Å | 1.00Å | |
| CBB | O5 | doub | 1.21Å | 103.80Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAR | CAT | 114.8° | 109.5° |
| OAS | CAR | CAM | 109.7° | 109.5° |
| OAS | CAR | H14 | 107.4° | 109.5° |
| CAR | OAS | H15 | 109.5° | 114.0° |
| CLA | CAW | CAV | 118.6° | 120.0° |
| CLA | CAW | CAX | 121.3° | 120.0° |
| CAV | CAW | CAX | 120.1° | 120.0° |
| CAW | CAV | CAU | 119.4° | 120.0° |
| CAW | CAV | H17 | 120.3° | 120.0° |
| CAW | CAX | CAY | 120.6° | 120.0° |
| CAW | CAX | H18 | 119.7° | 120.1° |
| CAV | CAU | CAT | 122.1° | 120.0° |
| CAV | CAU | H16 | 118.9° | 120.0° |
| CAU | CAV | H17 | 120.3° | 120.0° |
| CAX | CAY | CAT | 119.6° | 120.1° |
| CAY | CAX | H18 | 119.7° | 120.0° |
| CAX | CAY | H19 | 120.2° | 120.0° |
| CAU | CAT | CAY | 118.2° | 120.0° |
| CAU | CAT | CAR | 118.0° | 120.0° |
| CAT | CAU | H16 | 119.0° | 120.0° |
| CAY | CAT | CAR | 123.8° | 120.0° |
| CAT | CAY | H19 | 120.2° | 119.9° |
| CAT | CAR | CAM | 110.8° | 109.5° |
| CAT | CAR | H14 | 107.5° | 109.5° |
| CAR | CAM | OAL | 108.9° | 109.9° |
| CAR | CAM | CAN | 112.0° | 109.9° |
| CAR | CAM | H13 | 109.0° | 110.0° |
| CAM | CAR | H14 | 106.1° | 109.5° |
| CBB | CBA | NAA | 125.9° | 109.4° |
| CBA | CBB | H1 | 135.1° | 120.0° |
| CBB | CBA | H4 | 105.2° | 109.5° |
| CBB | CBA | H20 | 105.2° | 109.4° |
| CBA | CBB | O5 | 89.9° | 120.0° |
| CAM | OAL | CAK | 105.3° | 107.0° |
| OAL | CAM | CAN | 107.1° | 107.3° |
| OAL | CAM | H13 | 110.5° | 109.9° |
| OAL | CAK | NAG | 104.2° | 110.6° |
| OAL | CAK | CAP | 102.8° | 103.5° |
| OAL | CAK | H8 | 113.6° | 110.7° |
| CAM | CAN | CAP | 102.1° | 104.1° |
| CAM | CAN | OAO | 110.0° | 110.5° |
| CAM | CAN | H11 | 110.2° | 110.6° |
| CAN | CAM | H13 | 109.3° | 109.8° |
| CBA | NAA | C6 | 127.3° | 120.0° |
| NAA | CBA | H4 | 105.2° | 109.5° |
| NAA | CBA | H20 | 105.2° | 109.5° |
| CBA | NAA | H21 | 104.9° | 120.1° |
| CAI | CAH | NAG | 107.9° | 109.8° |
| CAH | CAI | C5 | 108.5° | 106.8° |
| CAH | CAI | H6 | 125.7° | 126.6° |
| CAI | CAH | H7 | 126.0° | 125.1° |
| CAH | NAG | CAK | 128.1° | 125.0° |
| CAH | NAG | C4 | 108.2° | 110.0° |
| NAG | CAH | H7 | 126.0° | 125.1° |
| CAI | C5 | C4 | 106.9° | 106.2° |
| CAI | C5 | C6 | 134.2° | 135.0° |
| C5 | CAI | H6 | 125.8° | 126.7° |
| CAK | NAG | C4 | 123.7° | 125.0° |
| NAG | CAK | CAP | 111.3° | 110.6° |
| NAG | CAK | H8 | 112.4° | 110.6° |
| NAG | C4 | C5 | 108.5° | 107.1° |
| NAG | C4 | N3 | 129.7° | 134.3° |
| CAP | CAN | OAO | 112.4° | 110.5° |
| CAN | CAP | CAK | 102.3° | 102.1° |
| CAN | CAP | OAQ | 111.7° | 110.9° |
| CAN | CAP | H9 | 109.8° | 110.9° |
| CAP | CAN | H11 | 110.4° | 110.5° |
| OAO | CAN | H11 | 111.3° | 110.4° |
| CAN | OAO | H12 | 109.5° | 114.0° |
| CAK | CAP | OAQ | 111.7° | 110.9° |
| CAP | CAK | H8 | 112.0° | 110.6° |
| CAK | CAP | H9 | 110.0° | 110.9° |
| C4 | C5 | C6 | 118.8° | 118.7° |
| C5 | C4 | N3 | 121.8° | 118.6° |
| C5 | C6 | NAA | 120.7° | 120.9° |
| C5 | C6 | N1 | 121.3° | 118.3° |
| NAA | C6 | N1 | 117.7° | 120.8° |
| C6 | NAA | H21 | 104.8° | 119.9° |
| C4 | N3 | C2 | 120.8° | 120.7° |
| C6 | N1 | C2 | 120.6° | 121.0° |
| OAQ | CAP | H9 | 111.0° | 110.8° |
| CAP | OAQ | H10 | 109.5° | 114.0° |
| N3 | C2 | N1 | 116.5° | 122.7° |
| N3 | C2 | H5 | 121.8° | 118.7° |
| N1 | C2 | H5 | 121.7° | 118.6° |
| H1 | CBB | O5 | 135.1° | 120.0° |
| H4 | CBA | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAR | CAT | CAU | 170.4° | 145.0° |
| OAS | CAR | CAT | CAY | 9.3° | 35.2° |
| OAS | CAR | CAT | CAM | 125.0° | 120.0° |
| OAS | CAR | CAT | H14 | 119.5° | 120.0° |
| OAS | CAR | CAM | H14 | 115.7° | 120.0° |
| OAS | CAR | CAM | OAL | 58.8° | 178.5° |
| OAS | CAR | CAM | CAN | 59.5° | 60.7° |
| OAS | CAR | CAM | H13 | 179.5° | 60.3° |
| CLA | CAW | CAV | CAX | 179.7° | 180.0° |
| CLA | CAW | CAV | CAU | 179.8° | 180.0° |
| CLA | CAW | CAX | CAY | 179.6° | 179.7° |
| CLA | CAW | CAV | H17 | 0.2° | 0.1° |
| CLA | CAW | CAX | H18 | 0.4° | 0.0° |
| CAW | CAV | CAU | H17 | 180.0° | 179.9° |
| CAV | CAW | CAX | CAY | 0.6° | 0.3° |
| CAW | CAV | CAU | CAT | 0.3° | 0.1° |
| CAW | CAV | CAU | H16 | 179.7° | 180.0° |
| CAV | CAW | CAX | H18 | 179.3° | 180.0° |
| CAX | CAW | CAV | CAU | 0.5° | 0.0° |
| CAW | CAX | CAY | H18 | 180.0° | 179.7° |
| CAW | CAX | CAY | CAT | 0.6° | 0.5° |
| CAX | CAW | CAV | H17 | 179.6° | 179.9° |
| CAW | CAX | CAY | H19 | 179.4° | 180.0° |
| CAV | CAU | CAT | H16 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAY | 0.3° | 0.2° |
| CAV | CAU | CAT | CAR | 180.0° | 180.0° |
| CAX | CAY | CAT | CAU | 0.4° | 0.5° |
| CAX | CAY | CAT | H19 | 180.0° | 179.5° |
| CAX | CAY | CAT | CAR | 179.9° | 179.7° |
| CAU | CAT | CAY | CAR | 179.7° | 179.8° |
| CAU | CAT | CAR | CAM | 64.6° | 95.0° |
| CAU | CAT | CAR | H14 | 51.0° | 25.0° |
| CAT | CAU | CAV | H17 | 179.7° | 180.0° |
| CAU | CAT | CAY | H19 | 179.6° | 180.0° |
| CAY | CAT | CAR | CAM | 115.7° | 84.8° |
| CAY | CAT | CAR | H14 | 128.7° | 155.2° |
| CAY | CAT | CAU | H16 | 179.7° | 179.8° |
| CAT | CAY | CAX | H18 | 179.4° | 179.8° |
| CAT | CAR | CAM | H14 | 116.4° | 120.0° |
| CAT | CAR | CAM | OAL | 173.4° | 61.5° |
| CAT | CAR | CAM | CAN | 68.4° | 179.3° |
| CAT | CAR | CAM | H13 | 52.7° | 59.6° |
| CAT | CAR | OAS | H15 | 180.0° | 59.9° |
| CAR | CAT | CAU | H16 | 0.0° | 0.0° |
| CAR | CAT | CAY | H19 | 0.1° | 0.2° |
| CAR | CAM | OAL | CAN | 121.3° | 119.4° |
| CAR | CAM | OAL | H13 | 119.7° | 121.1° |
| CAR | CAM | OAL | CAK | 147.2° | 145.9° |
| CAR | CAM | CAN | H13 | 120.9° | 121.1° |
| CAR | CAM | CAN | CAP | 117.4° | 121.5° |
| CAR | CAM | CAN | OAO | 123.0° | 119.8° |
| CAR | CAM | CAN | H11 | 0.2° | 2.8° |
| CAM | CAR | OAS | H15 | 54.4° | 60.0° |
| CBB | CBA | NAA | H4 | 122.2° | 120.0° |
| CBB | CBA | NAA | H20 | 122.2° | 119.9° |
| CBB | CBA | NAA | C6 | 1.1° | 180.0° |
| CBA | CBB | H1 | O5 | 180.0° | 180.0° |
| CBB | CBA | H4 | H20 | 112.7° | 120.0° |
| CBB | CBA | NAA | H21 | 121.2° | 0.0° |
| OAL | CAM | CAN | H13 | 119.8° | 119.5° |
| CAM | OAL | CAK | NAG | 159.6° | 158.6° |
| OAL | CAM | CAN | CAP | 1.9° | 2.0° |
| OAL | CAM | CAN | OAO | 117.7° | 120.7° |
| CAM | OAL | CAK | CAP | 43.4° | 40.1° |
| CAM | OAL | CAK | H8 | 77.8° | 78.5° |
| OAL | CAM | CAN | H11 | 119.2° | 116.7° |
| OAL | CAM | CAR | H14 | 56.9° | 58.5° |
| CAK | OAL | CAM | CAN | 25.9° | 26.5° |
| OAL | CAK | NAG | CAH | 60.4° | 19.0° |
| OAL | CAK | NAG | CAP | 110.1° | 114.1° |
| OAL | CAK | NAG | H8 | 123.4° | 123.0° |
| OAL | CAK | NAG | C4 | 120.1° | 161.4° |
| OAL | CAK | CAP | CAN | 43.9° | 37.0° |
| OAL | CAK | CAP | H8 | 122.3° | 118.7° |
| OAL | CAK | CAP | OAQ | 163.5° | 155.2° |
| OAL | CAK | CAP | H9 | 72.8° | 81.2° |
| CAK | OAL | CAM | H13 | 93.1° | 92.9° |
| CAM | CAN | CAP | OAO | 117.9° | 118.7° |
| CAM | CAN | CAP | H11 | 117.1° | 118.8° |
| CAM | CAN | OAO | H11 | 122.5° | 122.7° |
| CAM | CAN | CAP | CAK | 26.8° | 20.9° |
| CAM | CAN | CAP | OAQ | 146.4° | 139.1° |
| CAM | CAN | CAP | H9 | 90.0° | 97.3° |
| CAM | CAN | OAO | H12 | 180.0° | 176.2° |
| CAN | CAM | CAR | H14 | 175.2° | 59.3° |
| CBA | NAA | C6 | C5 | 55.0° | 180.0° |
| CBA | NAA | C6 | H21 | 122.3° | 180.0° |
| CBA | NAA | C6 | N1 | 131.5° | 0.0° |
| NAA | CBA | CBB | H1 | 79.0° | 55.0° |
| NAA | CBA | H4 | H20 | 112.6° | 120.1° |
| NAA | CBA | CBB | O5 | 101.0° | 125.0° |
| CAI | CAH | NAG | H7 | 180.0° | 179.9° |
| CAH | CAI | C5 | H6 | 180.0° | 179.9° |
| CAI | CAH | NAG | CAK | 178.6° | 180.0° |
| CAI | CAH | NAG | C4 | 1.0° | 0.3° |
| CAH | CAI | C5 | C4 | 0.4° | 0.1° |
| CAH | CAI | C5 | C6 | 176.6° | 180.0° |
| NAG | CAH | CAI | C5 | 0.8° | 0.1° |
| CAH | NAG | CAK | C4 | 179.5° | 179.6° |
| CAH | NAG | CAK | CAP | 49.7° | 95.1° |
| CAH | NAG | C4 | C5 | 0.8° | 0.4° |
| CAH | NAG | C4 | N3 | 179.6° | 180.0° |
| NAG | CAH | CAI | H6 | 179.2° | 179.7° |
| CAH | NAG | CAK | H8 | 176.2° | 142.0° |
| CAI | C5 | C4 | NAG | 0.3° | 0.3° |
| CAI | C5 | C4 | C6 | 177.5° | 179.9° |
| CAI | C5 | C6 | NAA | 5.9° | 0.1° |
| CAI | C5 | C4 | N3 | 179.2° | 180.0° |
| CAI | C5 | C6 | N1 | 179.1° | 180.0° |
| C5 | CAI | CAH | H7 | 179.1° | 180.0° |
| NAG | CAK | CAP | CAN | 154.8° | 155.6° |
| NAG | CAK | CAP | H8 | 126.8° | 122.8° |
| CAK | NAG | C4 | C5 | 178.8° | 179.9° |
| CAK | NAG | C4 | N3 | 0.0° | 0.3° |
| NAG | CAK | CAP | OAQ | 85.6° | 86.3° |
| CAK | NAG | CAH | H7 | 1.4° | 0.1° |
| NAG | CAK | CAP | H9 | 38.2° | 37.3° |
| C4 | NAG | CAK | CAP | 129.9° | 84.6° |
| NAG | C4 | C5 | N3 | 178.9° | 179.7° |
| NAG | C4 | C5 | C6 | 177.8° | 179.8° |
| NAG | C4 | N3 | C2 | 180.0° | 179.7° |
| C4 | NAG | CAH | H7 | 179.0° | 179.8° |
| C4 | NAG | CAK | H8 | 3.4° | 38.3° |
| CAP | CAN | OAO | H11 | 124.5° | 122.5° |
| CAN | CAP | CAK | OAQ | 119.6° | 118.2° |
| CAN | CAP | CAK | H9 | 116.6° | 118.2° |
| CAN | CAP | OAQ | H9 | 122.9° | 123.6° |
| CAN | CAP | CAK | H8 | 78.4° | 81.6° |
| CAN | CAP | OAQ | H10 | 180.0° | 67.3° |
| CAP | CAN | OAO | H12 | 66.9° | 61.4° |
| CAP | CAN | CAM | H13 | 121.7° | 117.4° |
| OAO | CAN | CAP | CAK | 91.1° | 97.8° |
| OAO | CAN | CAP | OAQ | 28.5° | 20.4° |
| OAO | CAN | CAP | H9 | 152.1° | 144.0° |
| OAO | CAN | CAM | H13 | 2.1° | 1.3° |
| CAK | CAP | OAQ | H9 | 123.2° | 123.7° |
| CAK | CAP | OAQ | H10 | 66.1° | 180.0° |
| CAK | CAP | CAN | H11 | 143.9° | 139.7° |
| C4 | C5 | C6 | NAA | 177.5° | 180.0° |
| C4 | C5 | C6 | N1 | 4.3° | 0.0° |
| C5 | C4 | N3 | C2 | 1.4° | 0.1° |
| C4 | C5 | CAI | H6 | 179.6° | 180.0° |
| C5 | C6 | NAA | N1 | 173.5° | 180.0° |
| C6 | C5 | C4 | N3 | 3.3° | 0.1° |
| C5 | C6 | N1 | C2 | 3.2° | 0.0° |
| C6 | C5 | CAI | H6 | 3.4° | 0.1° |
| C5 | C6 | NAA | H21 | 177.4° | 0.0° |
| NAA | C6 | N1 | C2 | 176.6° | 180.0° |
| C6 | NAA | CBA | H4 | 123.3° | 60.0° |
| C6 | NAA | CBA | H20 | 121.1° | 60.1° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C4 | N3 | C2 | H5 | 179.8° | 179.9° |
| C6 | N1 | C2 | N3 | 1.2° | 0.0° |
| C6 | N1 | C2 | H5 | 178.8° | 180.0° |
| N1 | C6 | NAA | H21 | 9.2° | 180.0° |
| OAQ | CAP | CAK | H8 | 41.2° | 36.6° |
| OAQ | CAP | CAN | H11 | 96.4° | 102.1° |
| N3 | C2 | N1 | H5 | 180.0° | 180.0° |
| H1 | CBB | CBA | H4 | 43.2° | 65.0° |
| H1 | CBB | CBA | H20 | 158.8° | 175.0° |
| H4 | CBA | NAA | H21 | 1.0° | 120.0° |
| H4 | CBA | CBB | O5 | 136.8° | 115.0° |
| H6 | CAI | CAH | H7 | 0.9° | 0.1° |
| H8 | CAK | CAP | H9 | 164.9° | 160.1° |
| H9 | CAP | OAQ | H10 | 57.1° | 56.3° |
| H9 | CAP | CAN | H11 | 27.2° | 21.4° |
| H11 | CAN | OAO | H12 | 57.6° | 61.1° |
| H11 | CAN | CAM | H13 | 121.0° | 123.9° |
| H13 | CAM | CAR | H14 | 63.7° | 179.6° |
| H14 | CAR | OAS | H15 | 60.5° | 179.9° |
| H16 | CAU | CAV | H17 | 0.3° | 0.1° |
| H18 | CAX | CAY | H19 | 0.6° | 0.3° |
| H20 | CBA | NAA | H21 | 116.6° | 119.9° |
| H20 | CBA | CBB | O5 | 21.2° | 5.0° |
