3UZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | OAX | sing | 1.43Å | 1.43Å | |
| CBC | CBB | trip | 1.17Å | 1.17Å | |
| OAZ | CAU | sing | 1.36Å | 1.36Å | |
| OAZ | CBA | sing | 1.43Å | 1.43Å | |
| CBB | CBA | sing | 1.47Å | 1.47Å | |
| CAU | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| OAX | CAV | sing | 1.36Å | 1.36Å | |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.51Å | 1.39Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | NAO | sing | 1.47Å | 1.47Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | CAA | sing | 1.74Å | 1.73Å | |
| NAO | CAM | sing | 1.35Å | 1.34Å | |
| CAC | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | OAN | doub | 1.21Å | 1.23Å | |
| CAM | CAH | sing | 1.51Å | 1.53Å | |
| CAD | CAH | sing | 1.51Å | 1.39Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | OAI | sing | 1.43Å | 1.43Å | |
| OAI | CAJ | sing | 1.43Å | 1.43Å | |
| CAJ | CAK | sing | 1.47Å | 1.47Å | |
| CAK | CAL | trip | 1.17Å | 1.17Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.05Å | 1.06Å | |
| NAO | H9 | sing | 0.97Å | 1.00Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| CAQ | H12 | sing | 1.09Å | 1.10Å | |
| CAQ | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.08Å | 1.08Å | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| CAY | H16 | sing | 1.09Å | 1.10Å | |
| CAY | H17 | sing | 1.09Å | 1.10Å | |
| CAS | H18 | sing | 1.08Å | 1.08Å | |
| CAT | H19 | sing | 1.08Å | 1.08Å | |
| CBA | H20 | sing | 1.09Å | 1.10Å | |
| CBA | H21 | sing | 1.09Å | 1.10Å | |
| CBC | H22 | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | OAX | CAV | 109.5° | 117.0° |
| OAX | CAY | H15 | 109.5° | 109.5° |
| OAX | CAY | H16 | 109.5° | 109.5° |
| OAX | CAY | H17 | 109.5° | 109.5° |
| CBC | CBB | CBA | 180.0° | 180.0° |
| CBB | CBC | H22 | 180.0° | 180.0° |
| CAU | OAZ | CBA | 109.5° | 117.0° |
| OAZ | CAU | CAT | 122.6° | 120.1° |
| OAZ | CAU | CAV | 116.9° | 120.0° |
| OAZ | CBA | CBB | 109.5° | 109.5° |
| OAZ | CBA | H20 | 109.5° | 109.5° |
| OAZ | CBA | H21 | 109.5° | 109.5° |
| CBB | CBA | H20 | 109.5° | 109.5° |
| CBB | CBA | H21 | 109.5° | 109.5° |
| CAT | CAU | CAV | 120.5° | 119.9° |
| CAU | CAT | CAS | 119.0° | 120.0° |
| CAU | CAT | H19 | 120.5° | 120.0° |
| CAU | CAV | OAX | 116.8° | 120.1° |
| CAU | CAV | CAW | 120.6° | 119.9° |
| OAX | CAV | CAW | 122.6° | 120.1° |
| CAT | CAS | CAR | 120.5° | 120.2° |
| CAT | CAS | H18 | 119.8° | 119.9° |
| CAS | CAT | H19 | 120.5° | 120.0° |
| CAV | CAW | CAR | 119.0° | 120.0° |
| CAV | CAW | H14 | 120.5° | 120.0° |
| CAS | CAR | CAW | 120.3° | 120.1° |
| CAS | CAR | CAQ | 119.9° | 119.9° |
| CAR | CAS | H18 | 119.7° | 119.9° |
| CAW | CAR | CAQ | 119.8° | 119.9° |
| CAR | CAW | H14 | 120.5° | 120.0° |
| CAR | CAQ | CAP | 109.5° | 109.5° |
| CAR | CAQ | H12 | 109.5° | 109.5° |
| CAR | CAQ | H13 | 109.5° | 109.5° |
| CAQ | CAP | NAO | 109.5° | 109.5° |
| CAQ | CAP | H10 | 109.5° | 109.5° |
| CAQ | CAP | H11 | 109.5° | 109.5° |
| CAP | CAQ | H12 | 109.5° | 109.4° |
| CAP | CAQ | H13 | 109.5° | 109.5° |
| CAP | NAO | CAM | 122.0° | 120.0° |
| CAP | NAO | H9 | 119.0° | 120.0° |
| NAO | CAP | H10 | 109.5° | 109.4° |
| NAO | CAP | H11 | 109.4° | 109.5° |
| CAC | CAB | CAA | 120.0° | 119.9° |
| CAB | CAC | CAD | 120.0° | 120.0° |
| CAB | CAC | H1 | 120.0° | 120.0° |
| CAC | CAB | H2 | 120.0° | 120.0° |
| CAB | CAA | CL1 | 120.0° | 120.0° |
| CAB | CAA | CAF | 120.0° | 120.0° |
| CAA | CAB | H2 | 120.0° | 120.1° |
| CL1 | CAA | CAF | 120.0° | 120.0° |
| NAO | CAM | OAN | 124.0° | 120.0° |
| NAO | CAM | CAH | 115.0° | 120.0° |
| CAM | NAO | H9 | 119.0° | 120.0° |
| CAC | CAD | CAH | 120.0° | 120.0° |
| CAC | CAD | CAE | 120.0° | 120.0° |
| CAD | CAC | H1 | 120.0° | 120.0° |
| CAA | CAF | CAE | 120.0° | 119.9° |
| CAA | CAF | H3 | 120.0° | 120.0° |
| OAN | CAM | CAH | 121.0° | 120.0° |
| CAM | CAH | CAD | 109.5° | 109.5° |
| CAM | CAH | OAI | 109.5° | 109.5° |
| CAM | CAH | H5 | 108.4° | 109.5° |
| CAH | CAD | CAE | 120.0° | 120.0° |
| CAD | CAH | OAI | 109.5° | 109.5° |
| CAD | CAH | H5 | 110.3° | 109.4° |
| CAD | CAE | CAF | 120.0° | 120.1° |
| CAD | CAE | H4 | 120.0° | 119.9° |
| CAE | CAF | H3 | 120.0° | 120.0° |
| CAF | CAE | H4 | 120.0° | 120.0° |
| CAH | OAI | CAJ | 109.5° | 114.0° |
| OAI | CAH | H5 | 109.7° | 109.5° |
| OAI | CAJ | CAK | 109.5° | 109.5° |
| OAI | CAJ | H6 | 109.5° | 109.5° |
| OAI | CAJ | H7 | 109.5° | 109.5° |
| CAJ | CAK | CAL | 179.9° | 180.0° |
| CAK | CAJ | H6 | 109.4° | 109.4° |
| CAK | CAJ | H7 | 109.4° | 109.5° |
| CAK | CAL | H8 | 180.0° | 180.0° |
| H6 | CAJ | H7 | 109.5° | 109.5° |
| H10 | CAP | H11 | 109.5° | 109.5° |
| H12 | CAQ | H13 | 109.4° | 109.5° |
| H15 | CAY | H16 | 109.5° | 109.5° |
| H15 | CAY | H17 | 109.5° | 109.4° |
| H16 | CAY | H17 | 109.5° | 109.5° |
| H20 | CBA | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | OAX | CAV | CAU | 119.8° | 180.0° |
| CAY | OAX | CAV | CAW | 60.1° | 0.0° |
| OAX | CAY | H15 | H16 | 120.0° | 120.1° |
| OAX | CAY | H15 | H17 | 120.0° | 120.0° |
| OAX | CAY | H16 | H17 | 120.0° | 120.1° |
| CBC | CBB | CBA | OAZ | 113.9° | 152.4° |
| CBC | CBB | CBA | H20 | 126.1° | 32.4° |
| CBC | CBB | CBA | H21 | 6.1° | 87.6° |
| CAU | OAZ | CBA | CBB | 178.5° | 180.0° |
| OAZ | CAU | CAT | CAV | 180.0° | 179.8° |
| OAZ | CAU | CAV | OAX | 0.0° | 0.1° |
| OAZ | CAU | CAT | CAS | 180.0° | 180.0° |
| OAZ | CAU | CAV | CAW | 180.0° | 180.0° |
| OAZ | CAU | CAT | H19 | 0.0° | 0.1° |
| CAU | OAZ | CBA | H20 | 58.4° | 60.0° |
| CAU | OAZ | CBA | H21 | 61.6° | 60.0° |
| OAZ | CBA | CBB | H20 | 120.0° | 120.0° |
| OAZ | CBA | CBB | H21 | 120.0° | 120.0° |
| CBA | OAZ | CAU | CAT | 57.4° | 0.0° |
| CBA | OAZ | CAU | CAV | 122.6° | 179.8° |
| OAZ | CBA | H20 | H21 | 120.0° | 120.0° |
| CBB | CBA | H20 | H21 | 120.0° | 120.0° |
| CBA | CBB | CBC | H22 | 172.2° | 55.4° |
| CAT | CAU | CAV | OAX | 180.0° | 179.7° |
| CAU | CAT | CAS | H19 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAW | 0.0° | 0.2° |
| CAU | CAT | CAS | CAR | 0.0° | 0.0° |
| CAU | CAT | CAS | H18 | 179.9° | 179.9° |
| CAU | CAV | OAX | CAW | 179.9° | 179.9° |
| CAV | CAU | CAT | CAS | 0.0° | 0.2° |
| CAU | CAV | CAW | CAR | 0.0° | 0.0° |
| CAU | CAV | CAW | H14 | 180.0° | 180.0° |
| CAV | CAU | CAT | H19 | 180.0° | 179.7° |
| OAX | CAV | CAW | CAR | 180.0° | 179.9° |
| OAX | CAV | CAW | H14 | 0.0° | 0.1° |
| CAV | OAX | CAY | H15 | 180.0° | 180.0° |
| CAV | OAX | CAY | H16 | 60.0° | 60.0° |
| CAV | OAX | CAY | H17 | 60.0° | 60.1° |
| CAT | CAS | CAR | H18 | 180.0° | 179.9° |
| CAT | CAS | CAR | CAW | 0.0° | 0.2° |
| CAT | CAS | CAR | CAQ | 180.0° | 180.0° |
| CAV | CAW | CAR | CAS | 0.0° | 0.2° |
| CAV | CAW | CAR | H14 | 180.0° | 180.0° |
| CAV | CAW | CAR | CAQ | 180.0° | 180.0° |
| CAS | CAR | CAW | CAQ | 180.0° | 179.8° |
| CAS | CAR | CAQ | CAP | 63.4° | 90.2° |
| CAS | CAR | CAQ | H12 | 56.6° | 149.8° |
| CAS | CAR | CAQ | H13 | 176.6° | 29.7° |
| CAS | CAR | CAW | H14 | 180.0° | 179.8° |
| CAR | CAS | CAT | H19 | 179.9° | 179.9° |
| CAW | CAR | CAQ | CAP | 116.6° | 90.0° |
| CAW | CAR | CAQ | H12 | 123.4° | 30.0° |
| CAW | CAR | CAQ | H13 | 3.4° | 150.0° |
| CAW | CAR | CAS | H18 | 180.0° | 179.7° |
| CAR | CAQ | CAP | H12 | 120.0° | 120.0° |
| CAR | CAQ | CAP | H13 | 120.0° | 120.0° |
| CAR | CAQ | CAP | NAO | 65.4° | 180.0° |
| CAR | CAQ | CAP | H10 | 54.6° | 60.0° |
| CAR | CAQ | CAP | H11 | 174.6° | 60.0° |
| CAR | CAQ | H12 | H13 | 120.0° | 120.0° |
| CAQ | CAR | CAW | H14 | 0.0° | 0.0° |
| CAQ | CAR | CAS | H18 | 0.1° | 0.1° |
| CAQ | CAP | NAO | H10 | 120.0° | 120.0° |
| CAQ | CAP | NAO | H11 | 120.0° | 120.0° |
| CAQ | CAP | NAO | CAM | 154.0° | 180.0° |
| CAQ | CAP | NAO | H9 | 25.9° | 0.1° |
| CAQ | CAP | H10 | H11 | 120.0° | 120.0° |
| CAP | CAQ | H12 | H13 | 120.0° | 120.0° |
| CAP | NAO | CAM | H9 | 180.0° | 179.9° |
| CAP | NAO | CAM | OAN | 0.1° | 0.1° |
| CAP | NAO | CAM | CAH | 180.0° | 180.0° |
| NAO | CAP | H10 | H11 | 120.0° | 120.0° |
| NAO | CAP | CAQ | H12 | 174.6° | 60.0° |
| NAO | CAP | CAQ | H13 | 54.6° | 60.0° |
| CAC | CAB | CAA | H2 | 180.0° | 180.0° |
| CAC | CAB | CAA | CL1 | 180.0° | 179.9° |
| CAB | CAC | CAD | H1 | 180.0° | 179.8° |
| CAC | CAB | CAA | CAF | 0.0° | 0.0° |
| CAB | CAC | CAD | CAH | 180.0° | 179.8° |
| CAB | CAC | CAD | CAE | 0.0° | 0.1° |
| CAB | CAA | CL1 | CAF | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 0.0° | 0.0° |
| CAB | CAA | CAF | CAE | 0.0° | 0.0° |
| CAA | CAB | CAC | H1 | 180.0° | 179.8° |
| CAB | CAA | CAF | H3 | 180.0° | 180.0° |
| CL1 | CAA | CAF | CAE | 180.0° | 179.9° |
| CL1 | CAA | CAB | H2 | 0.0° | 0.0° |
| CL1 | CAA | CAF | H3 | 0.0° | 0.1° |
| NAO | CAM | OAN | CAH | 179.9° | 179.9° |
| NAO | CAM | CAH | CAD | 80.7° | 65.0° |
| NAO | CAM | CAH | OAI | 39.3° | 175.0° |
| NAO | CAM | CAH | H5 | 159.0° | 55.0° |
| CAM | NAO | CAP | H10 | 34.0° | 60.0° |
| CAM | NAO | CAP | H11 | 85.9° | 60.0° |
| CAC | CAD | CAH | CAM | 52.6° | 100.0° |
| CAC | CAD | CAH | CAE | 180.0° | 179.7° |
| CAC | CAD | CAE | CAF | 0.0° | 0.1° |
| CAC | CAD | CAH | OAI | 67.4° | 140.0° |
| CAD | CAC | CAB | H2 | 180.0° | 180.0° |
| CAC | CAD | CAE | H4 | 180.0° | 180.0° |
| CAC | CAD | CAH | H5 | 171.8° | 20.0° |
| CAA | CAF | CAE | CAD | 0.0° | 0.0° |
| CAA | CAF | CAE | H3 | 180.0° | 180.0° |
| CAF | CAA | CAB | H2 | 180.0° | 180.0° |
| CAA | CAF | CAE | H4 | 180.0° | 180.0° |
| OAN | CAM | CAH | CAD | 99.3° | 115.0° |
| OAN | CAM | CAH | OAI | 140.7° | 5.0° |
| OAN | CAM | CAH | H5 | 21.1° | 125.0° |
| OAN | CAM | NAO | H9 | 179.9° | 180.0° |
| CAM | CAH | CAD | OAI | 120.0° | 120.0° |
| CAM | CAH | CAD | H5 | 119.2° | 120.1° |
| CAM | CAH | CAD | CAE | 127.4° | 80.3° |
| CAM | CAH | OAI | H5 | 118.8° | 120.1° |
| CAM | CAH | OAI | CAJ | 89.8° | 90.0° |
| CAH | CAM | NAO | H9 | 0.0° | 0.1° |
| CAH | CAD | CAE | CAF | 180.0° | 179.8° |
| CAD | CAH | OAI | H5 | 121.2° | 120.0° |
| CAD | CAH | OAI | CAJ | 150.2° | 150.0° |
| CAH | CAD | CAC | H1 | 0.0° | 0.0° |
| CAH | CAD | CAE | H4 | 0.0° | 0.3° |
| CAD | CAE | CAF | H4 | 180.0° | 179.9° |
| CAE | CAD | CAH | OAI | 112.6° | 39.7° |
| CAE | CAD | CAC | H1 | 180.0° | 179.7° |
| CAD | CAE | CAF | H3 | 180.0° | 180.0° |
| CAE | CAD | CAH | H5 | 8.2° | 159.7° |
| CAH | OAI | CAJ | CAK | 163.7° | 180.0° |
| CAH | OAI | CAJ | H6 | 43.8° | 60.0° |
| CAH | OAI | CAJ | H7 | 76.3° | 60.0° |
| OAI | CAJ | CAK | H6 | 120.0° | 120.0° |
| OAI | CAJ | CAK | H7 | 120.0° | 120.0° |
| OAI | CAJ | CAK | CAL | 52.0° | 50.4° |
| CAJ | OAI | CAH | H5 | 29.0° | 30.0° |
| OAI | CAJ | H6 | H7 | 120.0° | 120.0° |
| CAK | CAJ | H6 | H7 | 119.9° | 120.0° |
| CAJ | CAK | CAL | H8 | 111.4° | 19.4° |
| CAL | CAK | CAJ | H6 | 68.0° | 170.4° |
| CAL | CAK | CAJ | H7 | 172.0° | 69.6° |
| H1 | CAC | CAB | H2 | 0.0° | 0.2° |
| H3 | CAF | CAE | H4 | 0.0° | 0.0° |
| H9 | NAO | CAP | H10 | 146.0° | 119.9° |
| H9 | NAO | CAP | H11 | 94.1° | 120.1° |
| H10 | CAP | CAQ | H12 | 65.4° | 179.9° |
| H10 | CAP | CAQ | H13 | 174.6° | 60.0° |
| H11 | CAP | CAQ | H12 | 54.6° | 60.1° |
| H11 | CAP | CAQ | H13 | 65.4° | 180.0° |
| H15 | CAY | H16 | H17 | 120.0° | 119.9° |
| H18 | CAS | CAT | H19 | 0.1° | 0.0° |
