G17
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAZ | sing | 1.38Å | 1.41Å | Aromatic |
| CAX | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAZ | CAU | doub | 1.40Å | 1.41Å | Aromatic |
| FBG | CBE | sing | 1.40Å | 1.35Å | |
| CAW | CAV | doub | 1.38Å | 1.41Å | Aromatic |
| CAW | CBE | sing | 1.51Å | 1.46Å | |
| CAU | CAV | sing | 1.40Å | 1.42Å | Aromatic |
| CAU | CAT | sing | 1.48Å | 1.42Å | |
| NAS | CAT | sing | 1.35Å | 1.40Å | |
| NAS | CAP | sing | 1.40Å | 1.37Å | |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CBE | FBH | sing | 1.40Å | 1.21Å | |
| CBE | FBF | sing | 1.40Å | 1.33Å | |
| CAT | OBA | doub | 1.22Å | 1.22Å | |
| CAP | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAR | sing | 1.51Å | 1.40Å | |
| CAL | CAI | sing | 1.48Å | 1.41Å | |
| CAJ | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAK | doub | 1.36Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.42Å | 1.40Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | NAG | sing | 1.38Å | 1.30Å | |
| CBD | NAG | sing | 1.46Å | 1.45Å | |
| CBD | CBC | sing | 1.53Å | 1.51Å | |
| CBD | CBB | sing | 1.53Å | 1.51Å | |
| CBC | CBB | sing | 1.53Å | 1.52Å | |
| CAV | H1 | sing | 1.08Å | 1.08Å | |
| CAX | H2 | sing | 1.08Å | 1.08Å | |
| CAY | H3 | sing | 1.08Å | 1.08Å | |
| CAZ | H4 | sing | 1.08Å | 1.08Å | |
| NAS | H5 | sing | 0.97Å | 1.00Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAR | H10 | sing | 1.09Å | 1.10Å | |
| CAR | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| NAG | H16 | sing | 0.97Å | 1.00Å | |
| CBD | H17 | sing | 1.09Å | 1.10Å | |
| CBC | H18 | sing | 1.09Å | 1.10Å | |
| CBC | H19 | sing | 1.09Å | 1.10Å | |
| CBB | H20 | sing | 1.09Å | 1.10Å | |
| CBB | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAY | CAZ | 121.6° | 120.1° |
| CAY | CAX | CAW | 119.2° | 120.3° |
| CAY | CAX | H2 | 120.4° | 119.8° |
| CAX | CAY | H3 | 119.2° | 119.9° |
| CAY | CAZ | CAU | 121.4° | 119.8° |
| CAZ | CAY | H3 | 119.2° | 119.9° |
| CAY | CAZ | H4 | 119.3° | 120.0° |
| CAX | CAW | CAV | 118.3° | 120.2° |
| CAX | CAW | CBE | 120.5° | 119.9° |
| CAW | CAX | H2 | 120.4° | 119.9° |
| CAZ | CAU | CAV | 114.6° | 119.7° |
| CAZ | CAU | CAT | 123.8° | 120.1° |
| CAU | CAZ | H4 | 119.3° | 120.1° |
| FBG | CBE | CAW | 114.1° | 109.5° |
| FBG | CBE | FBH | 104.1° | 109.5° |
| FBG | CBE | FBF | 107.9° | 109.4° |
| CAV | CAW | CBE | 121.2° | 119.9° |
| CAW | CAV | CAU | 125.0° | 119.8° |
| CAW | CAV | H1 | 117.5° | 120.1° |
| CAW | CBE | FBH | 114.8° | 109.5° |
| CAW | CBE | FBF | 107.6° | 109.5° |
| CAV | CAU | CAT | 121.6° | 120.2° |
| CAU | CAV | H1 | 117.5° | 120.1° |
| CAU | CAT | NAS | 120.1° | 120.0° |
| CAU | CAT | OBA | 117.9° | 120.0° |
| CAT | NAS | CAP | 124.1° | 120.0° |
| NAS | CAT | OBA | 121.9° | 120.1° |
| CAT | NAS | H5 | 117.9° | 120.0° |
| NAS | CAP | CAO | 115.4° | 120.0° |
| NAS | CAP | CAQ | 127.5° | 120.1° |
| CAP | NAS | H5 | 117.9° | 120.0° |
| CAP | CAO | CAN | 120.8° | 120.1° |
| CAO | CAP | CAQ | 117.0° | 120.0° |
| CAP | CAO | H7 | 119.6° | 119.9° |
| CAO | CAN | CAM | 120.9° | 120.2° |
| CAN | CAO | H7 | 119.6° | 120.0° |
| CAO | CAN | H8 | 119.6° | 119.9° |
| FBH | CBE | FBF | 108.0° | 109.4° |
| CAP | CAQ | CAL | 123.9° | 119.8° |
| CAP | CAQ | H6 | 118.1° | 120.1° |
| CAN | CAM | CAL | 120.5° | 120.0° |
| CAN | CAM | CAR | 118.0° | 120.0° |
| CAM | CAN | H8 | 119.5° | 119.9° |
| CAQ | CAL | CAM | 116.9° | 119.8° |
| CAQ | CAL | CAI | 122.8° | 120.1° |
| CAL | CAQ | H6 | 118.1° | 120.1° |
| CAL | CAM | CAR | 121.5° | 120.0° |
| CAM | CAL | CAI | 120.2° | 120.1° |
| CAM | CAR | H9 | 109.5° | 109.4° |
| CAM | CAR | H10 | 109.5° | 109.5° |
| CAM | CAR | H11 | 109.4° | 109.5° |
| CAL | CAI | CAJ | 118.6° | 119.7° |
| CAL | CAI | CAH | 123.6° | 119.7° |
| CAI | CAJ | CAK | 121.4° | 121.0° |
| CAJ | CAI | CAH | 117.9° | 120.5° |
| CAI | CAJ | H13 | 119.3° | 119.5° |
| CAJ | CAK | C4 | 120.7° | 119.9° |
| CAK | CAJ | H13 | 119.3° | 119.5° |
| CAJ | CAK | H14 | 119.6° | 120.1° |
| CAI | CAH | C5 | 120.4° | 119.3° |
| CAI | CAH | H12 | 119.8° | 120.3° |
| CAK | C4 | C5 | 118.1° | 119.6° |
| CAK | C4 | N3 | 121.4° | 121.7° |
| C4 | CAK | H14 | 119.6° | 120.0° |
| CAH | C5 | C4 | 121.5° | 119.7° |
| CAH | C5 | C6 | 120.7° | 122.0° |
| C5 | CAH | H12 | 119.9° | 120.3° |
| C5 | C4 | N3 | 120.5° | 118.7° |
| C4 | C5 | C6 | 117.8° | 118.3° |
| C4 | N3 | C2 | 120.3° | 120.3° |
| C5 | C6 | N1 | 120.2° | 118.5° |
| C5 | C6 | H15 | 119.9° | 120.7° |
| N3 | C2 | N1 | 121.9° | 122.6° |
| N3 | C2 | NAG | 122.1° | 118.7° |
| C6 | N1 | C2 | 119.3° | 121.5° |
| N1 | C6 | H15 | 119.9° | 120.7° |
| N1 | C2 | NAG | 116.1° | 118.7° |
| C2 | NAG | CBD | 120.3° | 120.0° |
| C2 | NAG | H16 | 106.7° | 120.0° |
| NAG | CBD | CBC | 115.6° | 117.5° |
| NAG | CBD | CBB | 115.0° | 117.5° |
| CBD | NAG | H16 | 106.7° | 120.0° |
| NAG | CBD | H17 | 118.4° | 115.5° |
| CBC | CBD | CBB | 60.6° | 60.0° |
| CBD | CBC | CBB | 59.6° | 60.0° |
| CBC | CBD | H17 | 117.1° | 117.5° |
| CBD | CBC | H18 | 120.1° | 117.5° |
| CBD | CBC | H19 | 120.1° | 117.5° |
| CBD | CBB | CBC | 59.9° | 60.0° |
| CBB | CBD | H17 | 117.2° | 117.5° |
| CBD | CBB | H20 | 120.0° | 117.5° |
| CBD | CBB | H21 | 120.0° | 117.4° |
| CBB | CBC | H18 | 120.1° | 117.5° |
| CBB | CBC | H19 | 120.1° | 117.5° |
| CBC | CBB | H20 | 120.0° | 117.5° |
| CBC | CBB | H21 | 120.0° | 117.5° |
| H9 | CAR | H10 | 109.5° | 109.5° |
| H9 | CAR | H11 | 109.5° | 109.5° |
| H10 | CAR | H11 | 109.5° | 109.5° |
| H18 | CBC | H19 | 109.4° | 115.5° |
| H20 | CBB | H21 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAY | CAZ | H3 | 180.0° | 179.9° |
| CAY | CAX | CAW | H2 | 180.0° | 180.0° |
| CAX | CAY | CAZ | CAU | 0.0° | 0.3° |
| CAY | CAX | CAW | CAV | 0.7° | 0.0° |
| CAY | CAX | CAW | CBE | 178.7° | 179.7° |
| CAX | CAY | CAZ | H4 | 180.0° | 179.9° |
| CAZ | CAY | CAX | CAW | 0.2° | 0.0° |
| CAY | CAZ | CAU | H4 | 180.0° | 179.8° |
| CAY | CAZ | CAU | CAV | 0.4° | 0.5° |
| CAY | CAZ | CAU | CAT | 179.4° | 180.0° |
| CAZ | CAY | CAX | H2 | 179.9° | 180.0° |
| CAX | CAW | CBE | FBG | 13.4° | 29.7° |
| CAX | CAW | CAV | CBE | 178.1° | 179.7° |
| CAX | CAW | CAV | CAU | 1.1° | 0.3° |
| CAX | CAW | CBE | FBH | 106.7° | 90.3° |
| CAX | CAW | CBE | FBF | 133.1° | 149.7° |
| CAX | CAW | CAV | H1 | 178.9° | 179.8° |
| CAW | CAX | CAY | H3 | 179.8° | 180.0° |
| CAZ | CAU | CAV | CAW | 0.9° | 0.5° |
| CAZ | CAU | CAV | CAT | 179.1° | 179.5° |
| CAZ | CAU | CAT | NAS | 24.8° | 0.0° |
| CAZ | CAU | CAT | OBA | 152.5° | 180.0° |
| CAZ | CAU | CAV | H1 | 179.1° | 179.5° |
| CAU | CAZ | CAY | H3 | 180.0° | 179.8° |
| FBG | CBE | CAW | CAV | 164.7° | 150.0° |
| FBG | CBE | CAW | FBH | 120.0° | 120.0° |
| FBG | CBE | CAW | FBF | 119.7° | 120.0° |
| FBG | CBE | FBH | FBF | 114.5° | 119.9° |
| CAW | CAV | CAU | H1 | 180.0° | 179.9° |
| CAW | CAV | CAU | CAT | 180.0° | 180.0° |
| CAV | CAW | CBE | FBH | 75.3° | 90.0° |
| CAV | CAW | CBE | FBF | 44.9° | 30.0° |
| CAV | CAW | CAX | H2 | 179.4° | 180.0° |
| CBE | CAW | CAV | CAU | 179.2° | 180.0° |
| CAW | CBE | FBH | FBF | 120.1° | 120.0° |
| CBE | CAW | CAV | H1 | 0.8° | 0.1° |
| CBE | CAW | CAX | H2 | 1.3° | 0.3° |
| CAV | CAU | CAT | NAS | 156.1° | 179.5° |
| CAV | CAU | CAT | OBA | 26.5° | 0.6° |
| CAV | CAU | CAZ | H4 | 179.7° | 179.7° |
| CAU | CAT | NAS | OBA | 177.3° | 180.0° |
| CAU | CAT | NAS | CAP | 175.4° | 174.9° |
| CAT | CAU | CAV | H1 | 0.0° | 0.0° |
| CAT | CAU | CAZ | H4 | 0.6° | 0.2° |
| CAU | CAT | NAS | H5 | 4.6° | 5.1° |
| CAT | NAS | CAP | H5 | 180.0° | 180.0° |
| CAT | NAS | CAP | CAO | 151.8° | 33.5° |
| CAT | NAS | CAP | CAQ | 24.8° | 146.8° |
| NAS | CAP | CAO | CAQ | 177.0° | 179.7° |
| NAS | CAP | CAO | CAN | 177.9° | 179.9° |
| CAP | NAS | CAT | OBA | 7.3° | 5.0° |
| NAS | CAP | CAQ | CAL | 176.9° | 180.0° |
| NAS | CAP | CAQ | H6 | 3.1° | 0.1° |
| NAS | CAP | CAO | H7 | 2.1° | 0.0° |
| CAP | CAO | CAN | H7 | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 0.8° | 0.0° |
| CAO | CAP | CAQ | CAL | 0.4° | 0.3° |
| CAO | CAP | NAS | H5 | 28.2° | 146.5° |
| CAO | CAP | CAQ | H6 | 179.6° | 179.8° |
| CAP | CAO | CAN | H8 | 179.2° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.9° | 0.3° |
| CAO | CAN | CAM | H8 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 0.1° | 0.2° |
| CAO | CAN | CAM | CAR | 179.0° | 180.0° |
| OBA | CAT | NAS | H5 | 172.7° | 174.9° |
| CAP | CAQ | CAL | H6 | 180.0° | 180.0° |
| CAP | CAQ | CAL | CAM | 0.3° | 0.0° |
| CAP | CAQ | CAL | CAI | 177.9° | 180.0° |
| CAQ | CAP | NAS | H5 | 155.2° | 33.2° |
| CAQ | CAP | CAO | H7 | 179.1° | 179.7° |
| CAN | CAM | CAL | CAQ | 0.4° | 0.2° |
| CAN | CAM | CAL | CAR | 178.8° | 179.8° |
| CAN | CAM | CAL | CAI | 178.1° | 179.8° |
| CAM | CAN | CAO | H7 | 179.2° | 180.0° |
| CAN | CAM | CAR | H9 | 90.5° | 95.4° |
| CAN | CAM | CAR | H10 | 149.4° | 144.7° |
| CAN | CAM | CAR | H11 | 29.5° | 24.6° |
| CAQ | CAL | CAM | CAI | 177.7° | 180.0° |
| CAQ | CAL | CAM | CAR | 178.4° | 180.0° |
| CAQ | CAL | CAI | CAJ | 73.3° | 55.8° |
| CAQ | CAL | CAI | CAH | 107.5° | 123.9° |
| CAM | CAL | CAI | CAJ | 104.3° | 124.2° |
| CAM | CAL | CAI | CAH | 74.9° | 56.1° |
| CAM | CAL | CAQ | H6 | 179.7° | 180.0° |
| CAL | CAM | CAN | H8 | 179.9° | 179.7° |
| CAL | CAM | CAR | H9 | 90.6° | 84.9° |
| CAL | CAM | CAR | H10 | 29.4° | 35.1° |
| CAL | CAM | CAR | H11 | 149.4° | 155.2° |
| CAR | CAM | CAL | CAI | 0.7° | 0.0° |
| CAR | CAM | CAN | H8 | 1.0° | 0.1° |
| CAM | CAR | H9 | H10 | 120.0° | 119.9° |
| CAM | CAR | H9 | H11 | 120.0° | 120.0° |
| CAM | CAR | H10 | H11 | 120.0° | 120.1° |
| CAL | CAI | CAJ | CAH | 179.3° | 179.7° |
| CAL | CAI | CAJ | CAK | 178.2° | 180.0° |
| CAL | CAI | CAH | C5 | 178.5° | 180.0° |
| CAI | CAL | CAQ | H6 | 2.1° | 0.0° |
| CAL | CAI | CAH | H12 | 1.5° | 0.1° |
| CAL | CAI | CAJ | H13 | 1.8° | 0.0° |
| CAI | CAJ | CAK | H13 | 180.0° | 180.0° |
| CAI | CAJ | CAK | C4 | 1.1° | 0.0° |
| CAJ | CAI | CAH | C5 | 0.7° | 0.3° |
| CAJ | CAI | CAH | H12 | 179.3° | 179.8° |
| CAI | CAJ | CAK | H14 | 178.9° | 180.0° |
| CAK | CAJ | CAI | CAH | 1.1° | 0.3° |
| CAJ | CAK | C4 | H14 | 180.0° | 180.0° |
| CAJ | CAK | C4 | C5 | 0.8° | 0.2° |
| CAJ | CAK | C4 | N3 | 179.4° | 180.0° |
| CAI | CAH | C5 | H12 | 180.0° | 179.9° |
| CAI | CAH | C5 | C4 | 0.5° | 0.1° |
| CAI | CAH | C5 | C6 | 178.9° | 179.9° |
| CAH | CAI | CAJ | H13 | 179.0° | 179.7° |
| CAK | C4 | C5 | CAH | 0.5° | 0.2° |
| CAK | C4 | C5 | N3 | 179.9° | 179.8° |
| CAK | C4 | C5 | C6 | 178.9° | 179.8° |
| CAK | C4 | N3 | C2 | 179.6° | 180.0° |
| C4 | CAK | CAJ | H13 | 178.9° | 180.0° |
| CAH | C5 | C4 | C6 | 179.4° | 180.0° |
| CAH | C5 | C4 | N3 | 179.7° | 180.0° |
| CAH | C5 | C6 | N1 | 179.7° | 180.0° |
| CAH | C5 | C6 | H15 | 0.3° | 0.1° |
| C5 | C4 | N3 | C2 | 0.2° | 0.2° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C4 | C5 | CAH | H12 | 179.5° | 180.0° |
| C5 | C4 | CAK | H14 | 179.2° | 179.8° |
| C4 | C5 | C6 | H15 | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | N3 | C2 | N1 | 0.5° | 0.4° |
| C4 | N3 | C2 | NAG | 179.9° | 180.0° |
| N3 | C4 | CAK | H14 | 0.6° | 0.0° |
| C5 | C6 | N1 | H15 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.2° |
| C6 | C5 | CAH | H12 | 1.1° | 0.0° |
| N3 | C2 | N1 | C6 | 0.5° | 0.4° |
| N3 | C2 | N1 | NAG | 179.4° | 179.5° |
| N3 | C2 | NAG | CBD | 3.4° | 180.0° |
| N3 | C2 | NAG | H16 | 124.9° | 0.0° |
| C6 | N1 | C2 | NAG | 179.9° | 180.0° |
| N1 | C2 | NAG | CBD | 176.1° | 0.5° |
| C2 | N1 | C6 | H15 | 179.8° | 179.8° |
| N1 | C2 | NAG | H16 | 54.5° | 179.5° |
| C2 | NAG | CBD | H16 | 121.5° | 180.0° |
| C2 | NAG | CBD | CBC | 92.2° | 155.0° |
| C2 | NAG | CBD | CBB | 160.0° | 136.3° |
| C2 | NAG | CBD | H17 | 54.4° | 9.3° |
| NAG | CBD | CBC | CBB | 105.5° | 107.5° |
| NAG | CBD | CBC | H17 | 147.0° | 145.1° |
| NAG | CBD | CBB | H17 | 146.1° | 145.0° |
| NAG | CBD | CBC | H18 | 3.9° | 0.0° |
| NAG | CBD | CBC | H19 | 145.1° | 145.0° |
| NAG | CBD | CBB | H20 | 144.1° | 145.0° |
| NAG | CBD | CBB | H21 | 2.9° | 0.0° |
| CBC | CBD | CBB | H17 | 107.4° | 107.5° |
| CBD | CBC | CBB | H18 | 109.3° | 107.5° |
| CBD | CBC | CBB | H19 | 109.4° | 107.5° |
| CBC | CBD | NAG | H16 | 146.3° | 25.0° |
| CBD | CBC | H18 | H19 | 144.9° | 145.7° |
| CBC | CBD | CBB | H20 | 109.4° | 107.5° |
| CBC | CBD | CBB | H21 | 109.5° | 107.5° |
| CBB | CBD | NAG | H16 | 78.5° | 43.7° |
| CBD | CBB | H20 | H21 | 144.8° | 145.6° |
| CBB | CBC | H18 | H19 | 145.0° | 145.7° |
| CBC | CBB | H20 | H21 | 144.8° | 145.8° |
| H2 | CAX | CAY | H3 | 0.1° | 0.0° |
| H3 | CAY | CAZ | H4 | 0.0° | 0.0° |
| H7 | CAO | CAN | H8 | 0.8° | 0.0° |
| H9 | CAR | H10 | H11 | 120.0° | 120.0° |
| H13 | CAJ | CAK | H14 | 1.1° | 0.0° |
| H16 | NAG | CBD | H17 | 67.1° | 170.7° |
| H17 | CBD | CBC | H18 | 143.1° | 145.0° |
| H17 | CBD | CBC | H19 | 1.9° | 0.0° |
| H17 | CBD | CBB | H20 | 2.0° | 0.0° |
| H17 | CBD | CBB | H21 | 143.2° | 145.0° |
| H18 | CBC | CBB | H20 | 141.2° | 145.1° |
| H18 | CBC | CBB | H21 | 0.1° | 0.1° |
| H19 | CBC | CBB | H20 | 0.1° | 0.1° |
| H19 | CBC | CBB | H21 | 141.2° | 145.1° |
