ZD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAM | NBD | sing | 1.47Å | 1.49Å | |
| CAK | CBC | sing | 1.53Å | 1.52Å | |
| CAB | NBD | sing | 1.47Å | 1.48Å | |
| CBC | CAO | sing | 1.53Å | 1.52Å | |
| CBC | CAL | sing | 1.53Å | 1.53Å | |
| NBD | CAN | sing | 1.47Å | 1.50Å | |
| CAO | OAT | sing | 1.43Å | 1.41Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| CAI | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| CAI | CAY | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.39Å | Aromatic |
| OAT | CAY | sing | 1.36Å | 1.37Å | |
| CAY | CAX | doub | 1.40Å | 1.38Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | CAJ | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | NAR | sing | 1.38Å | 1.43Å | |
| CAX | CAJ | sing | 1.37Å | 1.40Å | Aromatic |
| CAX | OAS | sing | 1.36Å | 1.39Å | |
| OAS | CAA | sing | 1.43Å | 1.45Å | |
| NAR | CAW | sing | 1.40Å | 1.41Å | |
| CAF | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | CAH | doub | 1.38Å | 1.35Å | Aromatic |
| CAV | FAC | sing | 1.35Å | 1.34Å | |
| CAU | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| CAU | BR | sing | 1.89Å | 1.91Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| CAO | H15 | sing | 1.09Å | 1.10Å | |
| CAI | H16 | sing | 1.08Å | 1.08Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| NAR | H22 | sing | 0.97Å | 1.00Å | |
| CAF | H23 | sing | 1.08Å | 1.08Å | |
| CAE | H24 | sing | 1.08Å | 1.08Å | |
| CAH | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAM | NBD | 113.4° | 109.5° |
| CAM | CAK | CBC | 110.6° | 109.3° |
| CAM | CAK | H1 | 109.2° | 109.5° |
| CAM | CAK | H2 | 109.2° | 109.6° |
| CAK | CAM | H3 | 108.5° | 109.4° |
| CAK | CAM | H4 | 108.5° | 109.4° |
| CAM | NBD | CAB | 104.4° | 111.0° |
| CAM | NBD | CAN | 116.8° | 111.2° |
| NBD | CAM | H3 | 108.4° | 109.5° |
| NBD | CAM | H4 | 108.5° | 109.5° |
| CAK | CBC | CAO | 110.4° | 109.5° |
| CAK | CBC | CAL | 106.8° | 109.2° |
| CBC | CAK | H1 | 109.2° | 109.5° |
| CBC | CAK | H2 | 109.2° | 109.5° |
| CAK | CBC | H13 | 109.5° | 109.5° |
| CAB | NBD | CAN | 105.9° | 111.0° |
| NBD | CAB | H6 | 109.5° | 109.5° |
| NBD | CAB | H7 | 109.5° | 109.4° |
| NBD | CAB | H8 | 109.5° | 109.5° |
| CAO | CBC | CAL | 111.3° | 109.5° |
| CBC | CAO | OAT | 102.9° | 109.5° |
| CAO | CBC | H13 | 109.4° | 109.5° |
| CBC | CAO | H14 | 111.1° | 109.4° |
| CBC | CAO | H15 | 111.1° | 109.5° |
| CBC | CAL | CAN | 110.4° | 109.3° |
| CBC | CAL | H11 | 109.2° | 109.5° |
| CBC | CAL | H12 | 109.2° | 109.6° |
| CAL | CBC | H13 | 109.3° | 109.6° |
| NBD | CAN | CAL | 113.5° | 109.5° |
| NBD | CAN | H9 | 108.4° | 109.5° |
| NBD | CAN | H10 | 108.4° | 109.4° |
| CAO | OAT | CAY | 117.6° | 117.0° |
| OAT | CAO | H14 | 111.1° | 109.5° |
| OAT | CAO | H15 | 111.1° | 109.5° |
| C2 | N3 | C4 | 120.9° | 120.5° |
| N3 | C2 | N1 | 121.2° | 122.9° |
| N3 | C2 | H21 | 119.4° | 118.5° |
| N3 | C4 | CAI | 120.5° | 121.9° |
| N3 | C4 | C5 | 119.6° | 118.7° |
| C2 | N1 | C6 | 121.6° | 121.5° |
| N1 | C2 | H21 | 119.4° | 118.6° |
| C4 | CAI | CAY | 120.8° | 119.5° |
| CAI | C4 | C5 | 119.9° | 119.4° |
| C4 | CAI | H16 | 119.6° | 120.2° |
| CAI | CAY | OAT | 123.4° | 119.7° |
| CAI | CAY | CAX | 120.1° | 120.7° |
| CAY | CAI | H16 | 119.6° | 120.2° |
| C4 | C5 | C6 | 118.0° | 118.1° |
| C4 | C5 | CAJ | 119.5° | 119.9° |
| OAT | CAY | CAX | 116.5° | 119.6° |
| CAY | CAX | CAJ | 119.4° | 120.7° |
| CAY | CAX | OAS | 116.0° | 119.7° |
| CAL | CAN | H9 | 108.5° | 109.5° |
| CAL | CAN | H10 | 108.4° | 109.5° |
| CAN | CAL | H11 | 109.2° | 109.5° |
| CAN | CAL | H12 | 109.2° | 109.5° |
| N1 | C6 | C5 | 118.7° | 118.3° |
| N1 | C6 | NAR | 120.0° | 120.8° |
| C6 | C5 | CAJ | 122.6° | 121.9° |
| C5 | C6 | NAR | 121.3° | 120.9° |
| C5 | CAJ | CAX | 120.3° | 119.7° |
| C5 | CAJ | H20 | 119.8° | 120.2° |
| C6 | NAR | CAW | 121.4° | 120.1° |
| C6 | NAR | H22 | 119.3° | 120.0° |
| CAJ | CAX | OAS | 124.6° | 119.6° |
| CAX | CAJ | H20 | 119.8° | 120.2° |
| CAX | OAS | CAA | 119.0° | 117.0° |
| OAS | CAA | H17 | 109.5° | 109.5° |
| OAS | CAA | H18 | 109.5° | 109.5° |
| OAS | CAA | H19 | 109.5° | 109.4° |
| NAR | CAW | CAF | 120.6° | 120.0° |
| NAR | CAW | CAV | 119.6° | 120.1° |
| CAW | NAR | H22 | 119.3° | 120.0° |
| CAW | CAF | CAE | 119.4° | 120.0° |
| CAF | CAW | CAV | 119.8° | 119.9° |
| CAW | CAF | H23 | 120.3° | 120.0° |
| CAF | CAE | CAU | 119.0° | 120.1° |
| CAE | CAF | H23 | 120.3° | 120.0° |
| CAF | CAE | H24 | 120.5° | 120.0° |
| CAW | CAV | CAH | 121.1° | 119.9° |
| CAW | CAV | FAC | 123.8° | 120.1° |
| CAE | CAU | CAH | 120.9° | 120.1° |
| CAE | CAU | BR | 125.1° | 119.9° |
| CAU | CAE | H24 | 120.5° | 119.9° |
| CAH | CAV | FAC | 115.0° | 120.0° |
| CAV | CAH | CAU | 119.8° | 120.0° |
| CAV | CAH | H25 | 120.1° | 120.0° |
| CAH | CAU | BR | 114.0° | 119.9° |
| CAU | CAH | H25 | 120.1° | 120.0° |
| H1 | CAK | H2 | 109.5° | 109.5° |
| H3 | CAM | H4 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H8 | 109.4° | 109.5° |
| H7 | CAB | H8 | 109.4° | 109.4° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H11 | CAL | H12 | 109.5° | 109.5° |
| H14 | CAO | H15 | 109.5° | 109.4° |
| H17 | CAA | H18 | 109.4° | 109.5° |
| H17 | CAA | H19 | 109.5° | 109.4° |
| H18 | CAA | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAM | NBD | H3 | 120.6° | 120.0° |
| CAK | CAM | NBD | H4 | 120.6° | 120.0° |
| CAM | CAK | CBC | H1 | 120.2° | 119.9° |
| CAM | CAK | CBC | H2 | 120.2° | 120.0° |
| CAK | CAM | NBD | CAB | 156.2° | 174.1° |
| CAM | CAK | CBC | CAO | 175.2° | 177.6° |
| CAM | CAK | CBC | CAL | 63.6° | 57.7° |
| CAK | CAM | NBD | CAN | 39.6° | 61.7° |
| CAM | CAK | H1 | H2 | 119.4° | 120.2° |
| CAK | CAM | H3 | H4 | 118.2° | 120.0° |
| CAM | CAK | CBC | H13 | 54.7° | 62.4° |
| NBD | CAM | CAK | CBC | 52.2° | 59.2° |
| CAM | NBD | CAB | CAN | 123.9° | 124.2° |
| CAM | NBD | CAN | CAL | 39.3° | 61.7° |
| NBD | CAM | CAK | H1 | 172.4° | 179.1° |
| NBD | CAM | CAK | H2 | 67.9° | 60.8° |
| NBD | CAM | H3 | H4 | 118.2° | 120.0° |
| CAM | NBD | CAB | H6 | 180.0° | 60.0° |
| CAM | NBD | CAB | H7 | 60.0° | 180.0° |
| CAM | NBD | CAB | H8 | 60.0° | 60.0° |
| CAM | NBD | CAN | H9 | 159.9° | 178.2° |
| CAM | NBD | CAN | H10 | 81.2° | 58.3° |
| CAK | CBC | CAO | CAL | 118.4° | 119.7° |
| CAK | CBC | CAO | H13 | 120.6° | 120.1° |
| CAK | CBC | CAL | H13 | 118.4° | 120.0° |
| CAK | CBC | CAO | OAT | 162.9° | 175.0° |
| CAK | CBC | CAL | CAN | 63.1° | 57.7° |
| CBC | CAK | H1 | H2 | 119.5° | 120.0° |
| CBC | CAK | CAM | H3 | 172.8° | 179.2° |
| CBC | CAK | CAM | H4 | 68.4° | 60.8° |
| CAK | CBC | CAL | H11 | 176.8° | 62.3° |
| CAK | CBC | CAL | H12 | 57.1° | 177.6° |
| CAK | CBC | CAO | H14 | 43.9° | 55.0° |
| CAK | CBC | CAO | H15 | 78.2° | 65.0° |
| CAB | NBD | CAN | CAL | 155.1° | 174.2° |
| CAB | NBD | CAM | H3 | 83.2° | 54.2° |
| CAB | NBD | CAM | H4 | 35.6° | 65.9° |
| NBD | CAB | H6 | H7 | 120.0° | 120.0° |
| NBD | CAB | H6 | H8 | 120.0° | 120.0° |
| NBD | CAB | H7 | H8 | 120.0° | 120.0° |
| CAB | NBD | CAN | H9 | 84.3° | 54.1° |
| CAB | NBD | CAN | H10 | 34.5° | 65.8° |
| CAO | CBC | CAL | H13 | 121.0° | 120.1° |
| CBC | CAO | OAT | H14 | 119.0° | 120.0° |
| CBC | CAO | OAT | H15 | 119.0° | 120.1° |
| CBC | CAO | OAT | CAY | 177.4° | 180.0° |
| CAO | CBC | CAL | CAN | 176.3° | 177.6° |
| CAO | CBC | CAK | H1 | 55.1° | 62.5° |
| CAO | CBC | CAK | H2 | 64.6° | 57.5° |
| CAO | CBC | CAL | H11 | 56.2° | 57.6° |
| CAO | CBC | CAL | H12 | 63.6° | 62.5° |
| CBC | CAO | H14 | H15 | 123.0° | 120.0° |
| CBC | CAL | CAN | NBD | 51.1° | 59.2° |
| CAL | CBC | CAO | OAT | 78.7° | 65.3° |
| CBC | CAL | CAN | H11 | 120.1° | 120.0° |
| CBC | CAL | CAN | H12 | 120.1° | 120.0° |
| CAL | CBC | CAK | H1 | 176.2° | 177.6° |
| CAL | CBC | CAK | H2 | 56.6° | 62.4° |
| CBC | CAL | CAN | H9 | 171.7° | 179.2° |
| CBC | CAL | CAN | H10 | 69.5° | 60.8° |
| CBC | CAL | H11 | H12 | 119.6° | 120.1° |
| CAL | CBC | CAO | H14 | 162.4° | 174.6° |
| CAL | CBC | CAO | H15 | 40.3° | 54.7° |
| NBD | CAN | CAL | H9 | 120.6° | 120.0° |
| NBD | CAN | CAL | H10 | 120.6° | 120.0° |
| CAN | NBD | CAM | H3 | 160.2° | 178.3° |
| CAN | NBD | CAM | H4 | 81.0° | 58.3° |
| CAN | NBD | CAB | H6 | 56.1° | 64.2° |
| CAN | NBD | CAB | H7 | 176.1° | 55.8° |
| CAN | NBD | CAB | H8 | 63.9° | 175.7° |
| NBD | CAN | H9 | H10 | 118.1° | 119.9° |
| NBD | CAN | CAL | H11 | 171.3° | 60.8° |
| NBD | CAN | CAL | H12 | 69.0° | 179.2° |
| CAO | OAT | CAY | CAI | 13.1° | 0.3° |
| CAO | OAT | CAY | CAX | 167.3° | 179.9° |
| OAT | CAO | CBC | H13 | 42.3° | 54.9° |
| OAT | CAO | H14 | H15 | 123.0° | 120.0° |
| N3 | C2 | N1 | H21 | 180.0° | 180.0° |
| C2 | N3 | C4 | CAI | 179.4° | 180.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.1° |
| N3 | C2 | N1 | C6 | 1.8° | 0.0° |
| C4 | N3 | C2 | N1 | 0.8° | 0.1° |
| N3 | C4 | CAI | C5 | 178.4° | 180.0° |
| N3 | C4 | CAI | CAY | 179.2° | 180.0° |
| N3 | C4 | C5 | C6 | 1.6° | 0.0° |
| N3 | C4 | C5 | CAJ | 179.4° | 179.7° |
| N3 | C4 | CAI | H16 | 0.8° | 0.1° |
| C4 | N3 | C2 | H21 | 179.2° | 180.0° |
| C2 | N1 | C6 | C5 | 1.0° | 0.0° |
| C2 | N1 | C6 | NAR | 179.1° | 179.7° |
| C4 | CAI | CAY | H16 | 180.0° | 180.0° |
| C4 | CAI | CAY | OAT | 179.5° | 180.0° |
| C4 | CAI | CAY | CAX | 0.0° | 0.3° |
| CAI | C4 | C5 | C6 | 179.9° | 180.0° |
| CAI | C4 | C5 | CAJ | 1.0° | 0.3° |
| CAY | CAI | C4 | C5 | 0.7° | 0.0° |
| CAI | CAY | OAT | CAX | 179.6° | 179.7° |
| CAI | CAY | CAX | CAJ | 0.5° | 0.4° |
| CAI | CAY | CAX | OAS | 179.9° | 179.8° |
| C4 | C5 | C6 | N1 | 0.7° | 0.0° |
| C4 | C5 | C6 | CAJ | 178.9° | 179.7° |
| C4 | C5 | C6 | NAR | 179.2° | 179.7° |
| C4 | C5 | CAJ | CAX | 0.5° | 0.2° |
| C5 | C4 | CAI | H16 | 179.2° | 180.0° |
| C4 | C5 | CAJ | H20 | 179.5° | 179.7° |
| OAT | CAY | CAX | CAJ | 179.1° | 180.0° |
| OAT | CAY | CAX | OAS | 0.3° | 0.1° |
| CAY | OAT | CAO | H14 | 58.5° | 60.0° |
| CAY | OAT | CAO | H15 | 63.6° | 60.0° |
| OAT | CAY | CAI | H16 | 0.4° | 0.1° |
| CAY | CAX | CAJ | C5 | 0.2° | 0.1° |
| CAY | CAX | CAJ | OAS | 179.3° | 179.9° |
| CAY | CAX | OAS | CAA | 171.7° | 180.0° |
| CAX | CAY | CAI | H16 | 180.0° | 179.7° |
| CAY | CAX | CAJ | H20 | 179.8° | 180.0° |
| CAL | CAN | H9 | H10 | 118.2° | 120.0° |
| CAN | CAL | H11 | H12 | 119.6° | 120.0° |
| CAN | CAL | CBC | H13 | 55.3° | 62.3° |
| N1 | C6 | C5 | NAR | 179.9° | 179.7° |
| N1 | C6 | C5 | CAJ | 179.6° | 179.7° |
| N1 | C6 | NAR | CAW | 8.4° | 6.2° |
| C6 | N1 | C2 | H21 | 178.2° | 180.0° |
| N1 | C6 | NAR | H22 | 171.6° | 173.7° |
| C6 | C5 | CAJ | CAX | 179.4° | 179.9° |
| C5 | C6 | NAR | CAW | 171.5° | 173.5° |
| C6 | C5 | CAJ | H20 | 0.6° | 0.0° |
| C5 | C6 | NAR | H22 | 8.5° | 6.6° |
| CAJ | C5 | C6 | NAR | 0.3° | 0.0° |
| C5 | CAJ | CAX | H20 | 180.0° | 179.9° |
| C5 | CAJ | CAX | OAS | 179.6° | 179.9° |
| C6 | NAR | CAW | H22 | 180.0° | 180.0° |
| C6 | NAR | CAW | CAF | 120.4° | 19.0° |
| C6 | NAR | CAW | CAV | 61.1° | 161.3° |
| CAJ | CAX | OAS | CAA | 8.9° | 0.1° |
| CAX | OAS | CAA | H17 | 180.0° | 59.9° |
| CAX | OAS | CAA | H18 | 60.0° | 180.0° |
| CAX | OAS | CAA | H19 | 60.0° | 60.0° |
| OAS | CAX | CAJ | H20 | 0.4° | 0.1° |
| OAS | CAA | H17 | H18 | 120.0° | 120.1° |
| OAS | CAA | H17 | H19 | 120.0° | 119.9° |
| OAS | CAA | H18 | H19 | 120.0° | 120.0° |
| NAR | CAW | CAF | CAV | 178.5° | 179.7° |
| NAR | CAW | CAF | CAE | 178.6° | 180.0° |
| NAR | CAW | CAV | CAH | 178.7° | 179.7° |
| NAR | CAW | CAV | FAC | 0.6° | 0.0° |
| NAR | CAW | CAF | H23 | 1.4° | 0.0° |
| CAW | CAF | CAE | H23 | 180.0° | 180.0° |
| CAW | CAF | CAE | CAU | 0.3° | 0.0° |
| CAF | CAW | CAV | CAH | 0.2° | 0.5° |
| CAF | CAW | CAV | FAC | 179.1° | 179.7° |
| CAF | CAW | NAR | H22 | 59.6° | 161.1° |
| CAW | CAF | CAE | H24 | 179.7° | 180.0° |
| CAE | CAF | CAW | CAV | 0.1° | 0.3° |
| CAF | CAE | CAU | H24 | 180.0° | 180.0° |
| CAF | CAE | CAU | CAH | 0.7° | 0.0° |
| CAF | CAE | CAU | BR | 179.1° | 179.9° |
| CAW | CAV | CAH | FAC | 179.3° | 179.7° |
| CAW | CAV | CAH | CAU | 0.1° | 0.6° |
| CAV | CAW | NAR | H22 | 118.8° | 18.7° |
| CAV | CAW | CAF | H23 | 179.9° | 179.8° |
| CAW | CAV | CAH | H25 | 179.9° | 179.7° |
| CAE | CAU | CAH | CAV | 0.6° | 0.3° |
| CAE | CAU | CAH | BR | 179.8° | 180.0° |
| CAU | CAE | CAF | H23 | 179.7° | 180.0° |
| CAE | CAU | CAH | H25 | 179.4° | 180.0° |
| CAV | CAH | CAU | H25 | 180.0° | 179.7° |
| CAV | CAH | CAU | BR | 179.2° | 179.7° |
| FAC | CAV | CAH | CAU | 179.5° | 179.7° |
| FAC | CAV | CAH | H25 | 0.5° | 0.0° |
| CAH | CAU | CAE | H24 | 179.3° | 180.0° |
| BR | CAU | CAE | H24 | 0.9° | 0.0° |
| BR | CAU | CAH | H25 | 0.8° | 0.0° |
| H1 | CAK | CAM | H3 | 67.0° | 60.9° |
| H1 | CAK | CAM | H4 | 51.8° | 59.1° |
| H1 | CAK | CBC | H13 | 65.5° | 57.6° |
| H2 | CAK | CAM | H3 | 52.6° | 59.2° |
| H2 | CAK | CAM | H4 | 171.4° | 179.2° |
| H2 | CAK | CBC | H13 | 174.9° | 177.6° |
| H6 | CAB | H7 | H8 | 119.9° | 120.0° |
| H9 | CAN | CAL | H11 | 68.2° | 59.2° |
| H9 | CAN | CAL | H12 | 51.6° | 60.8° |
| H10 | CAN | CAL | H11 | 50.7° | 179.2° |
| H10 | CAN | CAL | H12 | 170.4° | 59.2° |
| H11 | CAL | CBC | H13 | 64.8° | 177.7° |
| H12 | CAL | CBC | H13 | 175.5° | 57.6° |
| H13 | CBC | CAO | H14 | 76.7° | 65.1° |
| H13 | CBC | CAO | H15 | 161.2° | 174.9° |
| H17 | CAA | H18 | H19 | 120.0° | 120.0° |
| H23 | CAF | CAE | H24 | 0.3° | 0.0° |
