7AX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C00 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.41Å | Aromatic |
| C00 | C05 | sing | 1.39Å | 1.43Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | O0B | sing | 1.36Å | 1.39Å | |
| C05 | C04 | doub | 1.39Å | 1.42Å | Aromatic |
| C0D | O0B | sing | 1.43Å | 1.43Å | |
| C0D | C0E | sing | 1.53Å | 1.56Å | |
| C03 | C04 | sing | 1.39Å | 1.42Å | Aromatic |
| O0Q | C0K | doub | 1.22Å | 1.23Å | |
| C04 | O0A | sing | 1.36Å | 1.37Å | |
| C0E | N0H | sing | 1.46Å | 1.49Å | |
| C0K | N0H | sing | 1.35Å | 1.38Å | |
| C0K | N0M | sing | 1.35Å | 1.36Å | |
| N0H | C0P | sing | 1.37Å | 1.42Å | |
| O0A | CAL | sing | 1.36Å | 1.45Å | |
| N0M | C0N | sing | 1.35Å | 1.36Å | |
| C0P | C0O | doub | 1.35Å | 1.36Å | |
| CAK | CAL | doub | 1.37Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.41Å | 1.42Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| C0N | C0O | sing | 1.42Å | 1.47Å | |
| C0N | O0S | doub | 1.22Å | 1.23Å | |
| CBB | CAJ | doub | 1.40Å | 1.44Å | Aromatic |
| CBB | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.42Å | 1.39Å | Aromatic |
| CAM | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| NBD | CBC | trip | 1.14Å | 1.16Å | |
| CBC | CBA | sing | 1.43Å | 1.52Å | |
| CBA | CAZ | doub | 1.41Å | 1.44Å | Aromatic |
| CAI | CAH | sing | 1.41Å | 1.42Å | Aromatic |
| CAI | CAY | doub | 1.41Å | 1.45Å | Aromatic |
| CAZ | CAY | sing | 1.36Å | 1.36Å | Aromatic |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAY | H4 | sing | 1.08Å | 1.08Å | |
| CAZ | H5 | sing | 1.08Å | 1.08Å | |
| CBB | H6 | sing | 1.08Å | 1.08Å | |
| C0P | H7 | sing | 1.08Å | 1.08Å | |
| C00 | H8 | sing | 1.08Å | 1.08Å | |
| C0D | H9 | sing | 1.09Å | 1.10Å | |
| C0D | H10 | sing | 1.09Å | 1.10Å | |
| C0E | H11 | sing | 1.09Å | 1.10Å | |
| C0E | H12 | sing | 1.09Å | 1.10Å | |
| C0O | H13 | sing | 1.08Å | 1.08Å | |
| N0M | H14 | sing | 0.97Å | 1.00Å | |
| C01 | H15 | sing | 1.08Å | 1.08Å | |
| C02 | H16 | sing | 1.08Å | 1.08Å | |
| C03 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C00 | C01 | C02 | 120.5° | 120.2° |
| C01 | C00 | C05 | 120.2° | 120.0° |
| C01 | C00 | H8 | 119.9° | 120.0° |
| C00 | C01 | H15 | 119.7° | 119.9° |
| C01 | C02 | C03 | 120.0° | 120.1° |
| C02 | C01 | H15 | 119.8° | 119.9° |
| C01 | C02 | H16 | 119.9° | 119.9° |
| C00 | C05 | O0B | 126.6° | 120.1° |
| C00 | C05 | C04 | 118.8° | 119.9° |
| C05 | C00 | H8 | 119.9° | 120.0° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C03 | C02 | H16 | 120.0° | 119.9° |
| C02 | C03 | H17 | 120.2° | 120.0° |
| O0B | C05 | C04 | 114.7° | 120.1° |
| C05 | O0B | C0D | 123.5° | 117.0° |
| C05 | C04 | C03 | 120.9° | 119.9° |
| C05 | C04 | O0A | 118.9° | 120.1° |
| O0B | C0D | C0E | 111.1° | 109.5° |
| O0B | C0D | H9 | 109.0° | 109.5° |
| O0B | C0D | H10 | 109.1° | 109.5° |
| C0D | C0E | N0H | 118.3° | 109.5° |
| C0E | C0D | H9 | 109.1° | 109.5° |
| C0E | C0D | H10 | 109.1° | 109.4° |
| C0D | C0E | H11 | 107.2° | 109.5° |
| C0D | C0E | H12 | 107.2° | 109.4° |
| C03 | C04 | O0A | 120.2° | 120.0° |
| C04 | C03 | H17 | 120.2° | 120.0° |
| O0Q | C0K | N0H | 124.5° | 119.5° |
| O0Q | C0K | N0M | 119.2° | 119.6° |
| C04 | O0A | CAL | 124.5° | 118.0° |
| C0E | N0H | C0K | 125.0° | 119.7° |
| C0E | N0H | C0P | 114.5° | 119.7° |
| N0H | C0E | H11 | 107.2° | 109.5° |
| N0H | C0E | H12 | 107.3° | 109.5° |
| N0H | C0K | N0M | 116.3° | 120.9° |
| C0K | N0H | C0P | 120.4° | 120.6° |
| C0K | N0M | C0N | 128.1° | 120.3° |
| C0K | N0M | H14 | 116.0° | 119.9° |
| N0H | C0P | C0O | 120.7° | 119.7° |
| N0H | C0P | H7 | 119.6° | 120.2° |
| O0A | CAL | CAK | 121.3° | 119.6° |
| O0A | CAL | CAM | 119.1° | 119.6° |
| N0M | C0N | C0O | 114.8° | 119.4° |
| N0M | C0N | O0S | 121.4° | 120.3° |
| C0N | N0M | H14 | 116.0° | 119.9° |
| C0P | C0O | C0N | 119.7° | 119.1° |
| C0O | C0P | H7 | 119.6° | 120.2° |
| C0P | C0O | H13 | 120.1° | 120.4° |
| CAL | CAK | CAJ | 120.1° | 119.6° |
| CAK | CAL | CAM | 119.6° | 120.8° |
| CAL | CAK | H2 | 119.9° | 120.2° |
| CAK | CAJ | CBB | 120.4° | 121.0° |
| CAK | CAJ | CAI | 120.2° | 119.4° |
| CAJ | CAK | H2 | 120.0° | 120.2° |
| CAL | CAM | CAH | 120.4° | 120.9° |
| CAL | CAM | H3 | 119.8° | 119.5° |
| C0O | C0N | O0S | 123.8° | 120.3° |
| C0N | C0O | H13 | 120.2° | 120.5° |
| CAJ | CBB | CBA | 119.8° | 119.4° |
| CBB | CAJ | CAI | 119.4° | 119.6° |
| CAJ | CBB | H6 | 120.1° | 120.3° |
| CBB | CBA | CBC | 120.4° | 119.7° |
| CBB | CBA | CAZ | 120.3° | 120.5° |
| CBA | CBB | H6 | 120.1° | 120.3° |
| CAJ | CAI | CAH | 119.3° | 119.4° |
| CAJ | CAI | CAY | 120.4° | 119.6° |
| CAM | CAH | CAI | 120.4° | 119.8° |
| CAM | CAH | H1 | 119.8° | 120.1° |
| CAH | CAM | H3 | 119.8° | 119.5° |
| NBD | CBC | CBA | 179.8° | 180.0° |
| CBC | CBA | CAZ | 119.3° | 119.8° |
| CBA | CAZ | CAY | 120.4° | 120.9° |
| CBA | CAZ | H5 | 119.8° | 119.5° |
| CAH | CAI | CAY | 120.4° | 121.0° |
| CAI | CAH | H1 | 119.8° | 120.1° |
| CAI | CAY | CAZ | 119.8° | 120.1° |
| CAI | CAY | H4 | 120.1° | 119.9° |
| CAZ | CAY | H4 | 120.1° | 120.0° |
| CAY | CAZ | H5 | 119.8° | 119.6° |
| H9 | C0D | H10 | 109.5° | 109.5° |
| H11 | C0E | H12 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C00 | C01 | C02 | H15 | 180.0° | 180.0° |
| C01 | C00 | C05 | H8 | 180.0° | 179.6° |
| C00 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C00 | C05 | O0B | 179.8° | 179.7° |
| C01 | C00 | C05 | C04 | 0.3° | 0.0° |
| C00 | C01 | C02 | H16 | 180.0° | 180.0° |
| C02 | C01 | C00 | C05 | 0.0° | 0.0° |
| C01 | C02 | C03 | H16 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | C01 | C00 | H8 | 180.0° | 179.6° |
| C01 | C02 | C03 | H17 | 179.7° | 180.0° |
| C00 | C05 | O0B | C04 | 179.8° | 179.7° |
| C00 | C05 | O0B | C0D | 14.2° | 0.0° |
| C00 | C05 | C04 | C03 | 0.8° | 0.0° |
| C00 | C05 | C04 | O0A | 179.5° | 179.9° |
| C05 | C00 | C01 | H15 | 179.9° | 180.0° |
| C02 | C03 | C04 | C05 | 0.8° | 0.0° |
| C02 | C03 | C04 | H17 | 180.0° | 180.0° |
| C02 | C03 | C04 | O0A | 179.5° | 180.0° |
| C03 | C02 | C01 | H15 | 180.0° | 180.0° |
| C05 | O0B | C0D | C0E | 140.9° | 180.0° |
| O0B | C05 | C04 | C03 | 179.4° | 179.7° |
| O0B | C05 | C04 | O0A | 0.6° | 0.3° |
| O0B | C05 | C00 | H8 | 0.2° | 0.1° |
| C05 | O0B | C0D | H9 | 98.8° | 60.0° |
| C05 | O0B | C0D | H10 | 20.7° | 60.0° |
| C04 | C05 | O0B | C0D | 166.0° | 179.7° |
| C05 | C04 | C03 | O0A | 178.8° | 179.9° |
| C05 | C04 | O0A | CAL | 112.2° | 173.8° |
| C04 | C05 | C00 | H8 | 179.7° | 179.6° |
| C05 | C04 | C03 | H17 | 179.3° | 180.0° |
| O0B | C0D | C0E | H9 | 120.2° | 120.1° |
| O0B | C0D | C0E | H10 | 120.2° | 120.0° |
| O0B | C0D | C0E | N0H | 20.3° | 65.0° |
| O0B | C0D | H9 | H10 | 119.2° | 120.0° |
| O0B | C0D | C0E | H11 | 100.9° | 175.0° |
| O0B | C0D | C0E | H12 | 141.6° | 55.1° |
| C0D | C0E | N0H | H11 | 121.3° | 120.0° |
| C0D | C0E | N0H | H12 | 121.2° | 120.0° |
| C0D | C0E | N0H | C0K | 102.5° | 90.0° |
| C0D | C0E | N0H | C0P | 78.5° | 90.0° |
| C0E | C0D | H9 | H10 | 119.3° | 119.9° |
| C0D | C0E | H11 | H12 | 116.0° | 119.9° |
| C03 | C04 | O0A | CAL | 69.0° | 6.3° |
| C04 | C03 | C02 | H16 | 179.6° | 180.0° |
| O0Q | C0K | N0H | C0E | 0.6° | 0.1° |
| O0Q | C0K | N0H | N0M | 179.7° | 180.0° |
| O0Q | C0K | N0H | C0P | 179.5° | 180.0° |
| O0Q | C0K | N0M | C0N | 179.9° | 179.8° |
| O0Q | C0K | N0M | H14 | 0.1° | 0.0° |
| C04 | O0A | CAL | CAK | 5.9° | 112.4° |
| C04 | O0A | CAL | CAM | 174.2° | 67.9° |
| O0A | C04 | C03 | H17 | 0.5° | 0.1° |
| C0E | N0H | C0K | C0P | 179.0° | 179.9° |
| C0E | N0H | C0K | N0M | 179.7° | 180.0° |
| C0E | N0H | C0P | C0O | 179.8° | 180.0° |
| C0E | N0H | C0P | H7 | 0.1° | 0.4° |
| N0H | C0E | C0D | H9 | 140.6° | 175.0° |
| N0H | C0E | C0D | H10 | 99.9° | 55.0° |
| N0H | C0E | H11 | H12 | 116.0° | 120.1° |
| N0H | C0K | N0M | C0N | 0.4° | 0.3° |
| C0K | N0H | C0P | C0O | 0.8° | 0.1° |
| C0K | N0H | C0P | H7 | 179.2° | 179.7° |
| C0K | N0H | C0E | H11 | 136.3° | 30.0° |
| C0K | N0H | C0E | H12 | 18.8° | 150.0° |
| N0H | C0K | N0M | H14 | 179.7° | 180.0° |
| N0M | C0K | N0H | C0P | 0.7° | 0.0° |
| C0K | N0M | C0N | H14 | 180.0° | 179.8° |
| C0K | N0M | C0N | C0O | 0.0° | 0.6° |
| C0K | N0M | C0N | O0S | 180.0° | 180.0° |
| N0H | C0P | C0O | H7 | 180.0° | 179.6° |
| N0H | C0P | C0O | C0N | 0.4° | 0.4° |
| C0P | N0H | C0E | H11 | 42.7° | 150.0° |
| C0P | N0H | C0E | H12 | 160.2° | 30.0° |
| N0H | C0P | C0O | H13 | 179.6° | 179.7° |
| O0A | CAL | CAK | CAM | 179.9° | 179.7° |
| O0A | CAL | CAK | CAJ | 179.9° | 180.0° |
| O0A | CAL | CAM | CAH | 180.0° | 179.7° |
| O0A | CAL | CAK | H2 | 0.1° | 0.3° |
| O0A | CAL | CAM | H3 | 0.0° | 0.3° |
| N0M | C0N | C0O | C0P | 0.0° | 0.6° |
| N0M | C0N | C0O | O0S | 179.9° | 179.4° |
| N0M | C0N | C0O | H13 | 180.0° | 179.5° |
| C0P | C0O | C0N | H13 | 180.0° | 179.9° |
| C0P | C0O | C0N | O0S | 179.9° | 179.9° |
| CAL | CAK | CAJ | H2 | 180.0° | 179.7° |
| CAL | CAK | CAJ | CBB | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 0.0° | 0.0° |
| CAK | CAL | CAM | CAH | 0.1° | 0.5° |
| CAK | CAL | CAM | H3 | 179.9° | 180.0° |
| CAJ | CAK | CAL | CAM | 0.1° | 0.3° |
| CAK | CAJ | CBB | CAI | 180.0° | 180.0° |
| CAK | CAJ | CBB | CBA | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 0.1° | 0.0° |
| CAK | CAJ | CAI | CAY | 180.0° | 180.0° |
| CAK | CAJ | CBB | H6 | 0.0° | 0.0° |
| CAL | CAM | CAH | H3 | 180.0° | 179.5° |
| CAL | CAM | CAH | CAI | 0.0° | 0.6° |
| CAL | CAM | CAH | H1 | 180.0° | 179.8° |
| CAM | CAL | CAK | H2 | 180.0° | 180.0° |
| C0N | C0O | C0P | H7 | 179.6° | 180.0° |
| C0O | C0N | N0M | H14 | 180.0° | 179.7° |
| O0S | C0N | C0O | H13 | 0.1° | 0.1° |
| O0S | C0N | N0M | H14 | 0.0° | 0.2° |
| CAJ | CBB | CBA | H6 | 180.0° | 180.0° |
| CAJ | CBB | CBA | CBC | 179.9° | 179.9° |
| CAJ | CBB | CBA | CAZ | 0.1° | 0.0° |
| CBB | CAJ | CAI | CAH | 180.0° | 180.0° |
| CBB | CAJ | CAI | CAY | 0.1° | 0.0° |
| CBB | CAJ | CAK | H2 | 0.0° | 0.3° |
| CBA | CBB | CAJ | CAI | 0.0° | 0.1° |
| CBB | CBA | CBC | NBD | 163.0° | 161.0° |
| CBB | CBA | CBC | CAZ | 180.0° | 179.9° |
| CBB | CBA | CAZ | CAY | 0.1° | 0.0° |
| CBB | CBA | CAZ | H5 | 179.9° | 180.0° |
| CAJ | CAI | CAH | CAM | 0.1° | 0.3° |
| CAJ | CAI | CAH | CAY | 179.9° | 180.0° |
| CAJ | CAI | CAY | CAZ | 0.0° | 0.1° |
| CAJ | CAI | CAH | H1 | 179.9° | 180.0° |
| CAI | CAJ | CAK | H2 | 180.0° | 179.7° |
| CAJ | CAI | CAY | H4 | 180.0° | 180.0° |
| CAI | CAJ | CBB | H6 | 180.0° | 180.0° |
| CAM | CAH | CAI | H1 | 180.0° | 179.7° |
| CAM | CAH | CAI | CAY | 180.0° | 179.7° |
| NBD | CBC | CBA | CAZ | 17.0° | 19.0° |
| CBC | CBA | CAZ | CAY | 179.9° | 180.0° |
| CBC | CBA | CAZ | H5 | 0.1° | 0.1° |
| CBC | CBA | CBB | H6 | 0.1° | 0.1° |
| CBA | CAZ | CAY | CAI | 0.0° | 0.1° |
| CBA | CAZ | CAY | H5 | 180.0° | 180.0° |
| CBA | CAZ | CAY | H4 | 180.0° | 180.0° |
| CAZ | CBA | CBB | H6 | 179.9° | 180.0° |
| CAH | CAI | CAY | CAZ | 179.9° | 179.9° |
| CAI | CAH | CAM | H3 | 180.0° | 180.0° |
| CAH | CAI | CAY | H4 | 0.1° | 0.0° |
| CAI | CAY | CAZ | H4 | 180.0° | 179.9° |
| CAY | CAI | CAH | H1 | 0.0° | 0.0° |
| CAI | CAY | CAZ | H5 | 180.0° | 180.0° |
| H1 | CAH | CAM | H3 | 0.0° | 0.3° |
| H4 | CAY | CAZ | H5 | 0.0° | 0.0° |
| H7 | C0P | C0O | H13 | 0.4° | 0.1° |
| H8 | C00 | C01 | H15 | 0.1° | 0.4° |
| H9 | C0D | C0E | H11 | 19.3° | 54.9° |
| H9 | C0D | C0E | H12 | 98.1° | 65.0° |
| H10 | C0D | C0E | H11 | 138.8° | 65.0° |
| H10 | C0D | C0E | H12 | 21.4° | 175.0° |
| H15 | C01 | C02 | H16 | 0.1° | 0.0° |
| H16 | C02 | C03 | H17 | 0.3° | 0.0° |
