1N6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CBB | sing | 1.47Å | 1.46Å | |
| CBB | CAL | sing | 1.53Å | 1.53Å | |
| CBB | CAM | sing | 1.53Å | 1.56Å | |
| FAC | CBD | sing | 1.40Å | 1.39Å | |
| FAE | CBD | sing | 1.40Å | 1.39Å | |
| CAL | CAN | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.54Å | |
| CBD | FAD | sing | 1.40Å | 1.33Å | |
| CBD | CAV | sing | 1.51Å | 1.41Å | |
| CAN | CBC | sing | 1.53Å | 1.54Å | |
| CAV | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CBC | sing | 1.53Å | 1.54Å | |
| CBC | NAS | sing | 1.46Å | 1.47Å | |
| CAK | CAU | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| NAS | C2 | sing | 1.38Å | 1.34Å | |
| CAU | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | NAR | sing | 1.40Å | 1.35Å | |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.37Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| NAR | C6 | sing | 1.38Å | 1.36Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C5 | CAY | sing | 1.46Å | 1.42Å | |
| C4 | CAJ | sing | 1.46Å | 1.40Å | |
| OAB | CAY | doub | 1.22Å | 1.25Å | |
| CAY | NAT | sing | 1.35Å | 1.43Å | |
| CAJ | CAG | doub | 1.35Å | 1.39Å | |
| NAT | CAG | sing | 1.36Å | 1.33Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| NAR | H5 | sing | 0.97Å | 1.00Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| NAS | H9 | sing | 0.97Å | 1.00Å | |
| CBC | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CBB | H15 | sing | 1.09Å | 1.10Å | |
| NAA | H16 | sing | 1.01Å | 1.00Å | |
| NAA | H17 | sing | 1.01Å | 1.00Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAM | H20 | sing | 1.09Å | 1.10Å | |
| CAO | H21 | sing | 1.09Å | 1.10Å | |
| CAO | H22 | sing | 1.09Å | 1.10Å | |
| NAT | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CBB | CAL | 109.2° | 109.4° |
| NAA | CBB | CAM | 112.4° | 109.5° |
| NAA | CBB | H15 | 108.2° | 109.5° |
| CBB | NAA | H16 | 109.5° | 111.0° |
| CBB | NAA | H17 | 109.4° | 111.1° |
| CAL | CBB | CAM | 112.6° | 109.4° |
| CBB | CAL | CAN | 109.3° | 109.4° |
| CBB | CAL | H13 | 109.5° | 109.5° |
| CBB | CAL | H14 | 109.5° | 109.5° |
| CAL | CBB | H15 | 107.2° | 109.5° |
| CBB | CAM | CAO | 112.1° | 109.5° |
| CAM | CBB | H15 | 106.9° | 109.5° |
| CBB | CAM | H19 | 108.8° | 109.5° |
| CBB | CAM | H20 | 108.8° | 109.5° |
| FAC | CBD | FAE | 111.2° | 109.5° |
| FAC | CBD | FAD | 108.0° | 109.5° |
| FAC | CBD | CAV | 110.0° | 109.5° |
| FAE | CBD | FAD | 108.7° | 109.5° |
| FAE | CBD | CAV | 109.0° | 109.4° |
| CAL | CAN | CBC | 109.8° | 109.5° |
| CAL | CAN | H11 | 109.4° | 109.5° |
| CAL | CAN | H12 | 109.4° | 109.5° |
| CAN | CAL | H13 | 109.5° | 109.5° |
| CAN | CAL | H14 | 109.5° | 109.4° |
| CAM | CAO | CBC | 110.3° | 109.5° |
| CAO | CAM | H19 | 108.8° | 109.4° |
| CAO | CAM | H20 | 108.8° | 109.4° |
| CAM | CAO | H21 | 109.3° | 109.5° |
| CAM | CAO | H22 | 109.2° | 109.5° |
| FAD | CBD | CAV | 110.0° | 109.4° |
| CBD | CAV | CAI | 120.7° | 119.9° |
| CBD | CAV | CAK | 119.2° | 120.0° |
| CAN | CBC | CAO | 111.1° | 109.4° |
| CAN | CBC | NAS | 106.2° | 109.5° |
| CAN | CBC | H10 | 107.4° | 109.5° |
| CBC | CAN | H11 | 109.4° | 109.4° |
| CBC | CAN | H12 | 109.4° | 109.4° |
| CAI | CAV | CAK | 120.1° | 120.1° |
| CAV | CAI | CAF | 119.7° | 120.1° |
| CAV | CAI | H2 | 120.2° | 120.0° |
| CAV | CAK | CAU | 120.8° | 119.9° |
| CAV | CAK | H1 | 119.6° | 120.0° |
| CAI | CAF | CAH | 119.4° | 120.1° |
| CAF | CAI | H2 | 120.1° | 119.9° |
| CAI | CAF | H3 | 120.3° | 120.0° |
| CAO | CBC | NAS | 116.3° | 109.5° |
| CAO | CBC | H10 | 107.4° | 109.5° |
| CBC | CAO | H21 | 109.2° | 109.5° |
| CBC | CAO | H22 | 109.3° | 109.4° |
| CBC | NAS | C2 | 133.4° | 120.0° |
| CBC | NAS | H9 | 103.2° | 120.0° |
| NAS | CBC | H10 | 108.2° | 109.5° |
| CAK | CAU | CAH | 118.4° | 119.9° |
| CAK | CAU | NAR | 122.9° | 120.1° |
| CAU | CAK | H1 | 119.6° | 120.0° |
| CAF | CAH | CAU | 121.6° | 119.9° |
| CAH | CAF | H3 | 120.3° | 119.9° |
| CAF | CAH | H4 | 119.2° | 120.0° |
| NAS | C2 | N1 | 125.7° | 118.6° |
| NAS | C2 | N3 | 113.6° | 118.7° |
| C2 | NAS | H9 | 103.2° | 120.0° |
| CAH | CAU | NAR | 118.7° | 120.0° |
| CAU | CAH | H4 | 119.2° | 120.1° |
| CAU | NAR | C6 | 126.0° | 120.0° |
| CAU | NAR | H5 | 117.0° | 120.0° |
| C2 | N1 | C6 | 120.0° | 121.3° |
| N1 | C2 | N3 | 120.7° | 122.7° |
| N1 | C6 | NAR | 125.5° | 121.0° |
| N1 | C6 | C5 | 119.7° | 118.1° |
| C2 | N3 | C4 | 121.7° | 120.2° |
| NAR | C6 | C5 | 114.8° | 120.9° |
| C6 | NAR | H5 | 117.0° | 120.0° |
| C6 | C5 | C4 | 118.4° | 118.6° |
| C6 | C5 | CAY | 123.7° | 122.9° |
| N3 | C4 | C5 | 119.6° | 119.0° |
| N3 | C4 | CAJ | 119.5° | 122.8° |
| C4 | C5 | CAY | 117.9° | 118.6° |
| C5 | C4 | CAJ | 120.9° | 118.2° |
| C5 | CAY | OAB | 121.9° | 120.4° |
| C5 | CAY | NAT | 119.1° | 119.2° |
| C4 | CAJ | CAG | 120.0° | 119.3° |
| C4 | CAJ | H7 | 120.0° | 120.4° |
| OAB | CAY | NAT | 119.0° | 120.5° |
| CAY | NAT | CAG | 121.3° | 122.2° |
| CAY | NAT | H23 | 119.3° | 118.9° |
| CAJ | CAG | NAT | 120.8° | 122.5° |
| CAJ | CAG | H6 | 119.6° | 118.8° |
| CAG | CAJ | H7 | 120.0° | 120.3° |
| NAT | CAG | H6 | 119.6° | 118.8° |
| CAG | NAT | H23 | 119.4° | 118.9° |
| H11 | CAN | H12 | 109.5° | 109.5° |
| H13 | CAL | H14 | 109.5° | 109.5° |
| H16 | NAA | H17 | 109.5° | 110.9° |
| H19 | CAM | H20 | 109.5° | 109.5° |
| H21 | CAO | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CBB | CAL | CAM | 125.7° | 119.9° |
| NAA | CBB | CAL | H15 | 117.0° | 120.0° |
| NAA | CBB | CAM | H15 | 118.6° | 120.1° |
| NAA | CBB | CAL | CAN | 179.0° | 180.0° |
| NAA | CBB | CAM | CAO | 175.1° | 180.0° |
| NAA | CBB | CAL | H13 | 59.0° | 60.0° |
| NAA | CBB | CAL | H14 | 61.0° | 60.1° |
| CBB | NAA | H16 | H17 | 120.0° | 123.9° |
| NAA | CBB | CAM | H19 | 54.7° | 60.0° |
| NAA | CBB | CAM | H20 | 64.5° | 60.1° |
| CAL | CBB | CAM | H15 | 117.5° | 120.0° |
| CBB | CAL | CAN | H13 | 120.0° | 120.0° |
| CBB | CAL | CAN | H14 | 120.0° | 119.9° |
| CAL | CBB | CAM | CAO | 51.2° | 60.1° |
| CBB | CAL | CAN | CBC | 60.4° | 60.1° |
| CBB | CAL | CAN | H11 | 59.6° | 180.0° |
| CBB | CAL | CAN | H12 | 179.5° | 59.9° |
| CBB | CAL | H13 | H14 | 120.1° | 120.1° |
| CAL | CBB | NAA | H16 | 180.0° | 179.9° |
| CAL | CBB | NAA | H17 | 60.0° | 56.0° |
| CAL | CBB | CAM | H19 | 69.2° | 59.9° |
| CAL | CBB | CAM | H20 | 171.6° | 180.0° |
| CAM | CBB | CAL | CAN | 55.3° | 60.1° |
| CBB | CAM | CAO | H19 | 120.4° | 120.1° |
| CBB | CAM | CAO | H20 | 120.4° | 120.0° |
| CBB | CAM | CAO | CBC | 50.7° | 60.1° |
| CAM | CBB | CAL | H13 | 175.3° | 59.9° |
| CAM | CBB | CAL | H14 | 64.6° | 180.0° |
| CAM | CBB | NAA | H16 | 54.2° | 60.0° |
| CAM | CBB | NAA | H17 | 65.8° | 63.9° |
| CBB | CAM | H19 | H20 | 118.8° | 120.1° |
| CBB | CAM | CAO | H21 | 170.9° | 60.0° |
| CBB | CAM | CAO | H22 | 69.4° | 180.0° |
| FAC | CBD | FAE | FAD | 118.7° | 120.0° |
| FAC | CBD | FAE | CAV | 121.4° | 120.0° |
| FAC | CBD | FAD | CAV | 120.0° | 120.0° |
| FAC | CBD | CAV | CAI | 17.0° | 0.0° |
| FAC | CBD | CAV | CAK | 163.2° | 179.7° |
| FAE | CBD | FAD | CAV | 119.3° | 120.0° |
| FAE | CBD | CAV | CAI | 105.1° | 120.0° |
| FAE | CBD | CAV | CAK | 74.6° | 59.7° |
| CAL | CAN | CBC | H11 | 120.0° | 120.0° |
| CAL | CAN | CBC | H12 | 120.0° | 120.0° |
| CAL | CAN | CBC | CAO | 62.3° | 60.0° |
| CAL | CAN | CBC | NAS | 170.3° | 180.0° |
| CAL | CAN | CBC | H10 | 54.8° | 60.0° |
| CAL | CAN | H11 | H12 | 119.8° | 120.1° |
| CAN | CAL | H13 | H14 | 120.1° | 120.0° |
| CAN | CAL | CBB | H15 | 62.0° | 59.9° |
| CAM | CAO | CBC | CAN | 56.8° | 60.0° |
| CAM | CAO | CBC | H21 | 120.1° | 120.0° |
| CAM | CAO | CBC | H22 | 120.1° | 120.0° |
| CAM | CAO | CBC | NAS | 178.3° | 180.0° |
| CAM | CAO | CBC | H10 | 60.3° | 60.0° |
| CAO | CAM | CBB | H15 | 66.3° | 60.0° |
| CAO | CAM | H19 | H20 | 118.8° | 119.9° |
| CAM | CAO | H21 | H22 | 119.6° | 120.0° |
| FAD | CBD | CAV | CAI | 135.8° | 120.0° |
| FAD | CBD | CAV | CAK | 44.4° | 60.3° |
| CBD | CAV | CAI | CAK | 179.8° | 179.7° |
| CBD | CAV | CAI | CAF | 180.0° | 180.0° |
| CBD | CAV | CAK | CAU | 179.4° | 180.0° |
| CBD | CAV | CAK | H1 | 0.6° | 0.1° |
| CBD | CAV | CAI | H2 | 0.1° | 0.0° |
| CAN | CBC | CAO | NAS | 121.6° | 120.0° |
| CAN | CBC | CAO | H10 | 117.1° | 120.0° |
| CAN | CBC | NAS | H10 | 115.0° | 120.0° |
| CAN | CBC | NAS | C2 | 121.7° | 155.0° |
| CAN | CBC | NAS | H9 | 1.3° | 25.0° |
| CBC | CAN | H11 | H12 | 119.9° | 120.0° |
| CBC | CAN | CAL | H13 | 179.6° | 60.0° |
| CBC | CAN | CAL | H14 | 59.5° | 180.0° |
| CAN | CBC | CAO | H21 | 176.9° | 60.0° |
| CAN | CBC | CAO | H22 | 63.3° | 180.0° |
| CAV | CAI | CAF | H2 | 180.0° | 180.0° |
| CAI | CAV | CAK | CAU | 0.4° | 0.3° |
| CAV | CAI | CAF | CAH | 0.0° | 0.0° |
| CAI | CAV | CAK | H1 | 179.6° | 179.8° |
| CAV | CAI | CAF | H3 | 180.0° | 179.9° |
| CAK | CAV | CAI | CAF | 0.3° | 0.3° |
| CAV | CAK | CAU | H1 | 180.0° | 179.9° |
| CAV | CAK | CAU | CAH | 1.2° | 0.1° |
| CAV | CAK | CAU | NAR | 178.4° | 180.0° |
| CAK | CAV | CAI | H2 | 179.7° | 179.7° |
| CAI | CAF | CAH | H3 | 180.0° | 179.9° |
| CAI | CAF | CAH | CAU | 0.8° | 0.2° |
| CAI | CAF | CAH | H4 | 179.1° | 180.0° |
| CAO | CBC | NAS | H10 | 120.9° | 120.0° |
| CAO | CBC | NAS | C2 | 2.4° | 85.0° |
| CAO | CBC | NAS | H9 | 125.5° | 94.9° |
| CAO | CBC | CAN | H11 | 57.7° | 180.0° |
| CAO | CBC | CAN | H12 | 177.6° | 60.0° |
| CBC | CAO | CAM | H19 | 69.7° | 60.0° |
| CBC | CAO | CAM | H20 | 171.1° | 180.0° |
| CBC | CAO | H21 | H22 | 119.6° | 119.9° |
| CBC | NAS | C2 | H9 | 123.0° | 179.9° |
| CBC | NAS | C2 | N1 | 36.5° | 180.0° |
| CBC | NAS | C2 | N3 | 146.7° | 0.0° |
| NAS | CBC | CAN | H11 | 69.6° | 60.0° |
| NAS | CBC | CAN | H12 | 50.3° | 60.0° |
| NAS | CBC | CAO | H21 | 61.5° | 60.0° |
| NAS | CBC | CAO | H22 | 58.2° | 60.0° |
| CAK | CAU | CAH | CAF | 1.5° | 0.2° |
| CAK | CAU | CAH | NAR | 177.3° | 179.9° |
| CAK | CAU | NAR | C6 | 45.2° | 147.3° |
| CAK | CAU | CAH | H4 | 178.5° | 180.0° |
| CAK | CAU | NAR | H5 | 134.7° | 32.7° |
| CAF | CAH | CAU | H4 | 180.0° | 179.8° |
| CAF | CAH | CAU | NAR | 178.7° | 179.7° |
| CAH | CAF | CAI | H2 | 179.9° | 180.0° |
| NAS | C2 | N1 | N3 | 176.6° | 180.0° |
| NAS | C2 | N1 | C6 | 177.9° | 179.9° |
| NAS | C2 | N3 | C4 | 178.6° | 179.8° |
| C2 | NAS | CBC | H10 | 123.3° | 35.0° |
| CAH | CAU | NAR | C6 | 137.6° | 32.8° |
| CAH | CAU | CAK | H1 | 178.8° | 180.0° |
| CAU | CAH | CAF | H3 | 179.1° | 179.7° |
| CAH | CAU | NAR | H5 | 42.4° | 147.2° |
| CAU | NAR | C6 | N1 | 9.5° | 5.9° |
| CAU | NAR | C6 | H5 | 180.0° | 180.0° |
| CAU | NAR | C6 | C5 | 170.9° | 174.4° |
| NAR | CAU | CAK | H1 | 1.6° | 0.1° |
| NAR | CAU | CAH | H4 | 1.2° | 0.1° |
| C2 | N1 | C6 | NAR | 179.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.5° | 0.3° |
| N1 | C2 | N3 | C4 | 1.6° | 0.2° |
| N1 | C2 | NAS | H9 | 86.5° | 0.0° |
| C6 | N1 | C2 | N3 | 1.3° | 0.1° |
| N1 | C6 | NAR | C5 | 179.6° | 179.7° |
| N1 | C6 | C5 | C4 | 0.1° | 0.3° |
| N1 | C6 | C5 | CAY | 179.4° | 179.8° |
| N1 | C6 | NAR | H5 | 170.4° | 174.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.2° |
| C2 | N3 | C4 | CAJ | 178.8° | 179.7° |
| N3 | C2 | NAS | H9 | 90.3° | 180.0° |
| NAR | C6 | C5 | C4 | 179.6° | 180.0° |
| NAR | C6 | C5 | CAY | 0.2° | 0.1° |
| C6 | C5 | C4 | N3 | 0.3° | 0.1° |
| C6 | C5 | C4 | CAY | 179.4° | 179.9° |
| C6 | C5 | C4 | CAJ | 179.6° | 180.0° |
| C6 | C5 | CAY | OAB | 0.4° | 0.1° |
| C6 | C5 | CAY | NAT | 179.3° | 180.0° |
| C5 | C6 | NAR | H5 | 9.2° | 5.6° |
| N3 | C4 | C5 | CAJ | 179.9° | 180.0° |
| N3 | C4 | C5 | CAY | 179.7° | 179.9° |
| N3 | C4 | CAJ | CAG | 179.6° | 179.9° |
| N3 | C4 | CAJ | H7 | 0.4° | 0.0° |
| C4 | C5 | CAY | OAB | 179.8° | 180.0° |
| C4 | C5 | CAY | NAT | 0.1° | 0.1° |
| C5 | C4 | CAJ | CAG | 0.4° | 0.1° |
| C5 | C4 | CAJ | H7 | 179.6° | 179.9° |
| CAY | C5 | C4 | CAJ | 0.2° | 0.1° |
| C5 | CAY | OAB | NAT | 179.7° | 179.9° |
| C5 | CAY | NAT | CAG | 0.2° | 0.1° |
| C5 | CAY | NAT | H23 | 179.7° | 180.0° |
| C4 | CAJ | CAG | H7 | 180.0° | 180.0° |
| C4 | CAJ | CAG | NAT | 0.2° | 0.1° |
| C4 | CAJ | CAG | H6 | 179.8° | 180.0° |
| OAB | CAY | NAT | CAG | 179.9° | 180.0° |
| OAB | CAY | NAT | H23 | 0.1° | 0.1° |
| CAY | NAT | CAG | CAJ | 0.1° | 0.1° |
| CAY | NAT | CAG | H23 | 180.0° | 179.9° |
| CAY | NAT | CAG | H6 | 179.9° | 180.0° |
| CAJ | CAG | NAT | H6 | 180.0° | 179.9° |
| CAJ | CAG | NAT | H23 | 179.9° | 180.0° |
| NAT | CAG | CAJ | H7 | 179.8° | 179.9° |
| H2 | CAI | CAF | H3 | 0.0° | 0.1° |
| H3 | CAF | CAH | H4 | 0.9° | 0.1° |
| H6 | CAG | CAJ | H7 | 0.2° | 0.1° |
| H6 | CAG | NAT | H23 | 0.1° | 0.1° |
| H9 | NAS | CBC | H10 | 113.6° | 145.0° |
| H10 | CBC | CAN | H11 | 174.8° | 60.0° |
| H10 | CBC | CAN | H12 | 65.2° | 180.0° |
| H10 | CBC | CAO | H21 | 59.8° | 180.0° |
| H10 | CBC | CAO | H22 | 179.5° | 60.0° |
| H11 | CAN | CAL | H13 | 60.4° | 59.9° |
| H11 | CAN | CAL | H14 | 179.6° | 60.1° |
| H12 | CAN | CAL | H13 | 59.5° | 180.0° |
| H12 | CAN | CAL | H14 | 60.5° | 60.0° |
| H13 | CAL | CBB | H15 | 58.0° | 180.0° |
| H14 | CAL | CBB | H15 | 178.0° | 59.9° |
| H15 | CBB | NAA | H16 | 63.6° | 60.1° |
| H15 | CBB | NAA | H17 | 176.4° | 176.1° |
| H15 | CBB | CAM | H19 | 173.3° | 180.0° |
| H15 | CBB | CAM | H20 | 54.1° | 60.0° |
| H19 | CAM | CAO | H21 | 50.5° | 179.9° |
| H19 | CAM | CAO | H22 | 170.2° | 59.9° |
| H20 | CAM | CAO | H21 | 68.8° | 60.0° |
| H20 | CAM | CAO | H22 | 51.0° | 60.0° |
