6UC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| BRAG | CAZ | sing | 1.89Å | 1.90Å | |
| CAZ | CBA | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAK | sing | 1.38Å | 1.43Å | Aromatic |
| CBA | CBB | sing | 1.51Å | 1.67Å | |
| CBB | CAX | sing | 1.50Å | 1.55Å | |
| CBB | CAY | sing | 1.50Å | 1.54Å | |
| OAE | CAU | doub | 1.22Å | 1.17Å | |
| CAX | CAU | sing | 1.41Å | 1.68Å | |
| CAX | CAT | doub | 1.35Å | 1.32Å | |
| CAU | OAQ | sing | 1.35Å | 1.44Å | |
| OAF | CAV | doub | 1.22Å | 1.20Å | |
| CAY | CAV | sing | 1.41Å | 1.56Å | |
| CAY | CAW | doub | 1.34Å | 1.38Å | |
| NAP | CAT | sing | 1.37Å | 1.47Å | |
| NAP | CAW | sing | 1.37Å | 1.56Å | |
| CAT | CAC | sing | 1.51Å | 1.55Å | |
| CAV | OAS | sing | 1.35Å | 1.43Å | |
| CAW | C24 | sing | 1.51Å | 1.47Å | |
| OAQ | CAB | sing | 1.43Å | 1.43Å | |
| OAS | CAL | sing | 1.43Å | 1.43Å | |
| C24 | O25 | sing | 1.43Å | 1.47Å | |
| CAL | CAA | sing | 1.53Å | 1.58Å | |
| O25 | C26 | sing | 1.43Å | 1.42Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | N28 | sing | 1.47Å | 1.50Å | |
| C22 | N28 | sing | 1.47Å | 1.49Å | |
| C21 | N28 | sing | 1.47Å | 1.47Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| NAP | H6 | sing | 0.97Å | 1.00Å | |
| CBB | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAI | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAB | H15 | sing | 1.09Å | 1.10Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAC | H18 | sing | 1.09Å | 1.10Å | |
| CAC | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAJ | CAZ | 122.1° | 119.9° |
| CAJ | CAH | CAI | 117.9° | 120.1° |
| CAJ | CAH | H12 | 121.1° | 120.0° |
| CAH | CAJ | H13 | 118.9° | 120.1° |
| CAJ | CAZ | BRAG | 107.9° | 120.0° |
| CAJ | CAZ | CBA | 123.3° | 120.0° |
| CAZ | CAJ | H13 | 118.9° | 120.0° |
| CAH | CAI | CAK | 119.5° | 120.0° |
| CAH | CAI | H11 | 120.2° | 120.1° |
| CAI | CAH | H12 | 121.0° | 119.9° |
| BRAG | CAZ | CBA | 128.8° | 120.0° |
| CAZ | CBA | CAK | 111.7° | 120.0° |
| CAZ | CBA | CBB | 133.4° | 120.0° |
| CAI | CAK | CBA | 125.5° | 120.0° |
| CAI | CAK | H10 | 117.3° | 120.0° |
| CAK | CAI | H11 | 120.2° | 120.0° |
| CAK | CBA | CBB | 114.9° | 120.0° |
| CBA | CAK | H10 | 117.3° | 120.0° |
| CBA | CBB | CAX | 125.9° | 109.2° |
| CBA | CBB | CAY | 102.9° | 109.4° |
| CBA | CBB | H9 | 105.5° | 109.2° |
| CAX | CBB | CAY | 107.6° | 110.6° |
| CBB | CAX | CAU | 127.1° | 119.4° |
| CBB | CAX | CAT | 115.5° | 121.4° |
| CAX | CBB | H9 | 106.8° | 109.2° |
| CBB | CAY | CAV | 122.8° | 119.2° |
| CBB | CAY | CAW | 116.8° | 121.5° |
| CAY | CBB | H9 | 106.9° | 109.1° |
| OAE | CAU | CAX | 120.8° | 120.0° |
| OAE | CAU | OAQ | 118.6° | 120.0° |
| CAU | CAX | CAT | 109.3° | 119.3° |
| CAX | CAU | OAQ | 120.3° | 120.0° |
| CAX | CAT | NAP | 116.0° | 120.8° |
| CAX | CAT | CAC | 120.8° | 119.6° |
| CAU | OAQ | CAB | 124.4° | 117.0° |
| OAF | CAV | CAY | 116.8° | 120.0° |
| OAF | CAV | OAS | 120.3° | 120.0° |
| CAV | CAY | CAW | 119.5° | 119.3° |
| CAY | CAV | OAS | 122.8° | 120.0° |
| CAY | CAW | NAP | 114.3° | 120.8° |
| CAY | CAW | C24 | 119.7° | 119.6° |
| CAT | NAP | CAW | 100.7° | 120.3° |
| NAP | CAT | CAC | 117.1° | 119.6° |
| CAT | NAP | H6 | 129.7° | 119.9° |
| NAP | CAW | C24 | 123.4° | 119.6° |
| CAW | NAP | H6 | 129.7° | 119.8° |
| CAT | CAC | H17 | 109.5° | 109.5° |
| CAT | CAC | H18 | 109.5° | 109.4° |
| CAT | CAC | H19 | 109.5° | 109.4° |
| CAV | OAS | CAL | 121.4° | 117.0° |
| CAW | C24 | O25 | 106.5° | 109.4° |
| CAW | C24 | H20 | 110.2° | 109.5° |
| CAW | C24 | H21 | 110.2° | 109.5° |
| OAQ | CAB | H14 | 109.5° | 109.4° |
| OAQ | CAB | H15 | 109.5° | 109.5° |
| OAQ | CAB | H16 | 109.5° | 109.5° |
| OAS | CAL | CAA | 108.8° | 109.5° |
| OAS | CAL | H4 | 109.6° | 109.5° |
| OAS | CAL | H5 | 109.7° | 109.4° |
| C24 | O25 | C26 | 115.9° | 114.0° |
| O25 | C24 | H20 | 110.2° | 109.5° |
| O25 | C24 | H21 | 110.2° | 109.5° |
| CAL | CAA | H1 | 109.5° | 109.4° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.4° | 109.5° |
| CAA | CAL | H4 | 109.6° | 109.5° |
| CAA | CAL | H5 | 109.6° | 109.5° |
| O25 | C26 | C27 | 110.6° | 109.5° |
| O25 | C26 | H22 | 109.2° | 109.4° |
| O25 | C26 | H23 | 109.2° | 109.5° |
| C26 | C27 | N28 | 114.0° | 109.4° |
| C27 | C26 | H22 | 109.2° | 109.5° |
| C27 | C26 | H23 | 109.2° | 109.5° |
| C26 | C27 | H24 | 108.3° | 109.5° |
| C26 | C27 | H25 | 108.3° | 109.4° |
| C27 | N28 | C22 | 111.8° | 111.0° |
| C27 | N28 | C21 | 116.1° | 111.0° |
| N28 | C27 | H24 | 108.3° | 109.5° |
| N28 | C27 | H25 | 108.3° | 109.5° |
| C22 | N28 | C21 | 110.9° | 111.0° |
| N28 | C22 | H30 | 109.5° | 109.5° |
| N28 | C22 | H31 | 109.5° | 109.5° |
| N28 | C22 | H32 | 109.4° | 109.5° |
| N28 | C21 | H27 | 109.5° | 109.5° |
| N28 | C21 | H28 | 109.5° | 109.4° |
| N28 | C21 | H29 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H14 | CAB | H15 | 109.5° | 109.4° |
| H14 | CAB | H16 | 109.5° | 109.5° |
| H15 | CAB | H16 | 109.4° | 109.5° |
| H17 | CAC | H18 | 109.4° | 109.5° |
| H17 | CAC | H19 | 109.5° | 109.5° |
| H18 | CAC | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.4° | 109.4° |
| H27 | C21 | H29 | 109.4° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H32 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAJ | CAZ | H13 | 180.0° | 179.7° |
| CAJ | CAH | CAI | H12 | 180.0° | 180.0° |
| CAH | CAJ | CAZ | BRAG | 179.9° | 180.0° |
| CAH | CAJ | CAZ | CBA | 0.8° | 0.5° |
| CAJ | CAH | CAI | CAK | 0.2° | 0.1° |
| CAJ | CAH | CAI | H11 | 179.8° | 180.0° |
| CAZ | CAJ | CAH | CAI | 0.4° | 0.2° |
| CAJ | CAZ | BRAG | CBA | 179.3° | 179.5° |
| CAJ | CAZ | CBA | CAK | 1.9° | 0.5° |
| CAJ | CAZ | CBA | CBB | 178.1° | 179.7° |
| CAZ | CAJ | CAH | H12 | 179.6° | 179.7° |
| CAH | CAI | CAK | H11 | 180.0° | 179.9° |
| CAH | CAI | CAK | CBA | 1.2° | 0.1° |
| CAH | CAI | CAK | H10 | 178.8° | 180.0° |
| CAI | CAH | CAJ | H13 | 179.6° | 180.0° |
| BRAG | CAZ | CBA | CAK | 178.9° | 180.0° |
| BRAG | CAZ | CBA | CBB | 2.7° | 0.2° |
| BRAG | CAZ | CAJ | H13 | 0.1° | 0.3° |
| CAZ | CBA | CAK | CAI | 2.1° | 0.2° |
| CAZ | CBA | CAK | CBB | 177.0° | 179.8° |
| CAZ | CBA | CBB | CAX | 46.9° | 120.2° |
| CAZ | CBA | CBB | CAY | 170.2° | 118.5° |
| CAZ | CBA | CBB | H9 | 77.9° | 0.9° |
| CAZ | CBA | CAK | H10 | 177.9° | 179.8° |
| CBA | CAZ | CAJ | H13 | 179.2° | 179.8° |
| CAI | CAK | CBA | H10 | 180.0° | 180.0° |
| CAI | CAK | CBA | CBB | 179.1° | 180.0° |
| CAK | CAI | CAH | H12 | 179.8° | 180.0° |
| CAK | CBA | CBB | CAX | 136.9° | 60.0° |
| CAK | CBA | CBB | CAY | 13.7° | 61.3° |
| CAK | CBA | CBB | H9 | 98.2° | 179.3° |
| CBA | CAK | CAI | H11 | 178.8° | 180.0° |
| CBA | CBB | CAX | CAY | 121.2° | 120.5° |
| CBA | CBB | CAX | H9 | 124.3° | 119.4° |
| CBA | CBB | CAY | H9 | 110.8° | 119.5° |
| CBA | CBB | CAX | CAU | 123.8° | 75.8° |
| CBA | CBB | CAX | CAT | 91.2° | 104.0° |
| CBA | CBB | CAY | CAV | 100.4° | 76.0° |
| CBA | CBB | CAY | CAW | 90.8° | 103.8° |
| CBB | CBA | CAK | H10 | 0.9° | 0.0° |
| CAX | CBB | CAY | H9 | 114.4° | 120.2° |
| CBB | CAX | CAU | OAE | 57.5° | 179.7° |
| CBB | CAX | CAU | CAT | 146.8° | 179.8° |
| CBB | CAX | CAU | OAQ | 116.9° | 0.2° |
| CAX | CBB | CAY | CAV | 124.9° | 163.6° |
| CAX | CBB | CAY | CAW | 43.9° | 16.6° |
| CBB | CAX | CAT | NAP | 27.8° | 0.6° |
| CBB | CAX | CAT | CAC | 179.6° | 179.4° |
| CAY | CBB | CAX | CAU | 115.0° | 163.6° |
| CAY | CBB | CAX | CAT | 30.0° | 16.5° |
| CBB | CAY | CAV | OAF | 94.6° | 79.4° |
| CBB | CAY | CAV | CAW | 168.5° | 179.7° |
| CBB | CAY | CAW | NAP | 1.2° | 0.7° |
| CBB | CAY | CAV | OAS | 87.7° | 100.6° |
| CBB | CAY | CAW | C24 | 163.4° | 179.4° |
| OAE | CAU | CAX | OAQ | 174.3° | 179.9° |
| OAE | CAU | CAX | CAT | 155.8° | 0.1° |
| OAE | CAU | OAQ | CAB | 44.2° | 0.0° |
| CAU | CAX | CAT | NAP | 178.8° | 179.6° |
| CAU | CAX | CAT | CAC | 29.4° | 0.4° |
| CAX | CAU | OAQ | CAB | 141.3° | 180.0° |
| CAU | CAX | CBB | H9 | 0.5° | 43.5° |
| CAT | CAX | CAU | OAQ | 29.9° | 180.0° |
| CAX | CAT | NAP | CAC | 152.8° | 179.9° |
| CAX | CAT | NAP | CAW | 69.8° | 17.8° |
| CAX | CAT | NAP | H6 | 110.2° | 162.3° |
| CAT | CAX | CBB | H9 | 144.5° | 136.7° |
| CAX | CAT | CAC | H17 | 180.0° | 180.0° |
| CAX | CAT | CAC | H18 | 60.0° | 60.0° |
| CAX | CAT | CAC | H19 | 60.0° | 60.0° |
| CAU | OAQ | CAB | H14 | 180.0° | 59.9° |
| CAU | OAQ | CAB | H15 | 60.0° | 60.0° |
| CAU | OAQ | CAB | H16 | 60.0° | 180.0° |
| OAF | CAV | CAY | OAS | 177.7° | 180.0° |
| OAF | CAV | CAY | CAW | 96.8° | 100.8° |
| OAF | CAV | OAS | CAL | 43.4° | 0.0° |
| CAV | CAY | CAW | NAP | 168.0° | 179.6° |
| CAV | CAY | CAW | C24 | 5.8° | 0.4° |
| CAY | CAV | OAS | CAL | 134.2° | 180.0° |
| CAV | CAY | CBB | H9 | 10.5° | 43.5° |
| CAY | CAW | NAP | CAT | 52.5° | 17.7° |
| CAY | CAW | NAP | C24 | 161.5° | 180.0° |
| CAW | CAY | CAV | OAS | 80.8° | 79.2° |
| CAY | CAW | C24 | O25 | 70.4° | 114.4° |
| CAY | CAW | NAP | H6 | 127.5° | 162.4° |
| CAW | CAY | CBB | H9 | 158.3° | 136.8° |
| CAY | CAW | C24 | H20 | 49.1° | 125.6° |
| CAY | CAW | C24 | H21 | 170.1° | 5.6° |
| CAT | NAP | CAW | H6 | 180.0° | 179.9° |
| CAT | NAP | CAW | C24 | 109.0° | 162.3° |
| NAP | CAT | CAC | H17 | 28.5° | 0.0° |
| NAP | CAT | CAC | H18 | 91.4° | 120.0° |
| NAP | CAT | CAC | H19 | 148.6° | 120.1° |
| CAW | NAP | CAT | CAC | 137.4° | 162.3° |
| NAP | CAW | C24 | O25 | 90.1° | 65.6° |
| NAP | CAW | C24 | H20 | 150.4° | 54.4° |
| NAP | CAW | C24 | H21 | 29.4° | 174.4° |
| CAC | CAT | NAP | H6 | 42.6° | 17.6° |
| CAT | CAC | H17 | H18 | 120.0° | 120.0° |
| CAT | CAC | H17 | H19 | 120.0° | 120.0° |
| CAT | CAC | H18 | H19 | 120.0° | 120.0° |
| CAV | OAS | CAL | CAA | 131.0° | 180.0° |
| CAV | OAS | CAL | H4 | 109.1° | 60.0° |
| CAV | OAS | CAL | H5 | 11.1° | 60.0° |
| CAW | C24 | O25 | H20 | 119.5° | 120.0° |
| CAW | C24 | O25 | H21 | 119.6° | 120.0° |
| CAW | C24 | O25 | C26 | 99.6° | 180.0° |
| C24 | CAW | NAP | H6 | 71.0° | 17.7° |
| CAW | C24 | H20 | H21 | 121.4° | 120.0° |
| OAQ | CAB | H14 | H15 | 120.0° | 119.9° |
| OAQ | CAB | H14 | H16 | 120.0° | 120.1° |
| OAQ | CAB | H15 | H16 | 120.0° | 120.1° |
| OAS | CAL | CAA | H4 | 119.9° | 120.0° |
| OAS | CAL | CAA | H5 | 119.9° | 120.0° |
| OAS | CAL | CAA | H1 | 180.0° | 60.0° |
| OAS | CAL | CAA | H2 | 60.0° | 60.0° |
| OAS | CAL | CAA | H3 | 60.0° | 180.0° |
| OAS | CAL | H4 | H5 | 120.3° | 120.0° |
| C24 | O25 | C26 | C27 | 160.0° | 180.0° |
| O25 | C24 | H20 | H21 | 121.4° | 120.0° |
| C24 | O25 | C26 | H22 | 79.9° | 60.0° |
| C24 | O25 | C26 | H23 | 39.8° | 60.0° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAL | H4 | H5 | 120.3° | 120.0° |
| O25 | C26 | C27 | H22 | 120.2° | 119.9° |
| O25 | C26 | C27 | H23 | 120.1° | 120.1° |
| O25 | C26 | C27 | N28 | 164.7° | 65.0° |
| C26 | O25 | C24 | H20 | 140.9° | 60.0° |
| C26 | O25 | C24 | H21 | 19.9° | 60.0° |
| O25 | C26 | H22 | H23 | 119.5° | 120.0° |
| O25 | C26 | C27 | H24 | 44.0° | 175.0° |
| O25 | C26 | C27 | H25 | 74.6° | 55.0° |
| C26 | C27 | N28 | H24 | 120.7° | 120.0° |
| C26 | C27 | N28 | H25 | 120.7° | 119.9° |
| C26 | C27 | N28 | C22 | 127.4° | 170.0° |
| C26 | C27 | N28 | C21 | 1.3° | 66.1° |
| C27 | C26 | H22 | H23 | 119.5° | 120.0° |
| C26 | C27 | H24 | H25 | 117.9° | 120.0° |
| C27 | N28 | C22 | C21 | 131.4° | 123.9° |
| N28 | C27 | C26 | H22 | 75.1° | 55.0° |
| N28 | C27 | C26 | H23 | 44.6° | 175.0° |
| N28 | C27 | H24 | H25 | 117.9° | 120.1° |
| C27 | N28 | C21 | H27 | 180.0° | 60.0° |
| C27 | N28 | C21 | H28 | 60.0° | 179.9° |
| C27 | N28 | C21 | H29 | 60.0° | 60.1° |
| C27 | N28 | C22 | H30 | 180.0° | 60.0° |
| C27 | N28 | C22 | H31 | 60.0° | 180.0° |
| C27 | N28 | C22 | H32 | 60.0° | 60.0° |
| C22 | N28 | C27 | H24 | 6.7° | 70.0° |
| C22 | N28 | C27 | H25 | 111.9° | 50.1° |
| C22 | N28 | C21 | H27 | 50.9° | 63.9° |
| C22 | N28 | C21 | H28 | 170.9° | 56.1° |
| C22 | N28 | C21 | H29 | 69.1° | 176.1° |
| N28 | C22 | H30 | H31 | 120.0° | 120.0° |
| N28 | C22 | H30 | H32 | 120.0° | 120.1° |
| N28 | C22 | H31 | H32 | 120.0° | 120.0° |
| C21 | N28 | C27 | H24 | 121.9° | 53.9° |
| C21 | N28 | C27 | H25 | 119.4° | 174.0° |
| N28 | C21 | H27 | H28 | 120.0° | 119.9° |
| N28 | C21 | H27 | H29 | 120.0° | 120.0° |
| N28 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | N28 | C22 | H30 | 48.6° | 176.1° |
| C21 | N28 | C22 | H31 | 71.4° | 56.1° |
| C21 | N28 | C22 | H32 | 168.6° | 63.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.1° |
| H1 | CAA | CAL | H4 | 60.1° | 60.0° |
| H1 | CAA | CAL | H5 | 60.1° | 180.0° |
| H2 | CAA | CAL | H4 | 179.8° | 180.0° |
| H2 | CAA | CAL | H5 | 59.9° | 60.0° |
| H3 | CAA | CAL | H4 | 59.9° | 60.0° |
| H3 | CAA | CAL | H5 | 179.9° | 60.0° |
| H10 | CAK | CAI | H11 | 1.2° | 0.0° |
| H11 | CAI | CAH | H12 | 0.2° | 0.1° |
| H12 | CAH | CAJ | H13 | 0.4° | 0.0° |
| H14 | CAB | H15 | H16 | 120.0° | 120.0° |
| H17 | CAC | H18 | H19 | 120.0° | 120.0° |
| H22 | C26 | C27 | H24 | 164.2° | 65.0° |
| H22 | C26 | C27 | H25 | 45.6° | 175.0° |
| H23 | C26 | C27 | H24 | 76.1° | 55.0° |
| H23 | C26 | C27 | H25 | 165.2° | 65.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.1° |
| H30 | C22 | H31 | H32 | 120.0° | 120.0° |
