L8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CAT | sing | 1.40Å | 1.33Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CAA | OAQ | sing | 1.43Å | 1.43Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAF | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.36Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAI | sing | 1.36Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAV | doub | 1.41Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAW | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAU | doub | 1.36Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAQ | CAU | sing | 1.36Å | 1.36Å | |
| CAU | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.42Å | 1.39Å | Aromatic |
| N | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | N | HN | 109.5° | 120.0° |
| N | CAT | CAJ | 120.7° | 119.6° |
| N | CAT | CAK | 119.5° | 119.6° |
| CAT | N | H11 | 109.4° | 120.0° |
| HN | N | H11 | 109.5° | 120.0° |
| OAQ | CAA | HAA | 109.5° | 109.5° |
| OAQ | CAA | HAAA | 109.5° | 109.5° |
| OAQ | CAA | HAAB | 109.4° | 109.5° |
| CAA | OAQ | CAU | 108.8° | 117.0° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| CAG | CAF | CAH | 119.9° | 121.0° |
| CAG | CAF | HAF | 120.0° | 119.6° |
| CAF | CAG | CAI | 119.8° | 121.0° |
| CAF | CAG | HAG | 120.1° | 119.5° |
| CAH | CAF | HAF | 120.1° | 119.4° |
| CAF | CAH | CAV | 120.2° | 119.6° |
| CAF | CAH | HAH | 119.9° | 120.2° |
| CAI | CAG | HAG | 120.1° | 119.5° |
| CAG | CAI | CAW | 120.3° | 119.7° |
| CAG | CAI | HAI | 119.9° | 120.2° |
| CAV | CAH | HAH | 119.9° | 120.2° |
| CAH | CAV | CAK | 120.2° | 121.2° |
| CAH | CAV | CAW | 119.9° | 119.3° |
| CAW | CAI | HAI | 119.9° | 120.1° |
| CAI | CAW | CAU | 120.2° | 121.1° |
| CAI | CAW | CAV | 119.9° | 119.4° |
| CAT | CAJ | CAU | 119.5° | 120.8° |
| CAT | CAJ | HAJ | 120.2° | 119.6° |
| CAJ | CAT | CAK | 119.9° | 120.8° |
| CAU | CAJ | HAJ | 120.2° | 119.6° |
| CAJ | CAU | OAQ | 119.9° | 120.1° |
| CAJ | CAU | CAW | 120.5° | 119.8° |
| CAT | CAK | CAV | 120.3° | 119.6° |
| CAT | CAK | HAK | 119.8° | 120.2° |
| CAV | CAK | HAK | 119.9° | 120.2° |
| CAK | CAV | CAW | 119.9° | 119.5° |
| OAQ | CAU | CAW | 119.7° | 120.1° |
| CAU | CAW | CAV | 119.9° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | N | HN | H11 | 120.0° | 179.7° |
| N | CAT | CAJ | CAK | 178.9° | 180.0° |
| N | CAT | CAJ | CAU | 178.7° | 180.0° |
| N | CAT | CAJ | HAJ | 1.3° | 0.0° |
| N | CAT | CAK | CAV | 179.2° | 180.0° |
| N | CAT | CAK | HAK | 0.8° | 0.1° |
| HN | N | CAT | CAJ | 180.0° | 0.0° |
| HN | N | CAT | CAK | 1.1° | 180.0° |
| OAQ | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAQ | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAQ | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | OAQ | CAU | CAJ | 85.3° | 0.0° |
| CAA | OAQ | CAU | CAW | 95.3° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | OAQ | CAU | 180.0° | 60.0° |
| HAAA | CAA | OAQ | CAU | 60.0° | 60.0° |
| HAAB | CAA | OAQ | CAU | 60.0° | 180.0° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAI | HAG | 180.0° | 179.8° |
| CAG | CAF | CAH | CAV | 0.2° | 0.0° |
| CAG | CAF | CAH | HAH | 179.8° | 179.8° |
| CAF | CAG | CAI | CAW | 0.7° | 0.1° |
| CAF | CAG | CAI | HAI | 179.3° | 180.0° |
| CAH | CAF | CAG | CAI | 0.8° | 0.1° |
| CAH | CAF | CAG | HAG | 179.2° | 179.9° |
| CAF | CAH | CAV | HAH | 180.0° | 179.9° |
| CAF | CAH | CAV | CAK | 178.4° | 180.0° |
| CAF | CAH | CAV | CAW | 0.6° | 0.0° |
| HAF | CAF | CAG | CAI | 179.2° | 179.8° |
| HAF | CAF | CAG | HAG | 0.8° | 0.4° |
| HAF | CAF | CAH | CAV | 179.8° | 179.7° |
| HAF | CAF | CAH | HAH | 0.2° | 0.2° |
| CAG | CAI | CAW | HAI | 180.0° | 179.9° |
| CAG | CAI | CAW | CAU | 179.0° | 180.0° |
| CAG | CAI | CAW | CAV | 0.2° | 0.0° |
| HAG | CAG | CAI | CAW | 179.3° | 179.9° |
| HAG | CAG | CAI | HAI | 0.6° | 0.2° |
| CAH | CAV | CAW | CAI | 0.8° | 0.0° |
| CAH | CAV | CAK | CAT | 179.7° | 180.0° |
| CAH | CAV | CAK | CAW | 179.0° | 180.0° |
| CAH | CAV | CAK | HAK | 0.2° | 0.0° |
| CAH | CAV | CAW | CAU | 179.7° | 180.0° |
| HAH | CAH | CAV | CAK | 1.6° | 0.1° |
| HAH | CAH | CAV | CAW | 179.4° | 179.9° |
| CAI | CAW | CAU | CAJ | 178.7° | 180.0° |
| CAI | CAW | CAV | CAK | 178.2° | 180.0° |
| CAI | CAW | CAU | OAQ | 0.7° | 0.0° |
| CAI | CAW | CAU | CAV | 178.9° | 180.0° |
| HAI | CAI | CAW | CAU | 0.9° | 0.1° |
| HAI | CAI | CAW | CAV | 179.8° | 179.9° |
| CAT | CAJ | CAU | HAJ | 180.0° | 180.0° |
| CAJ | CAT | CAK | CAV | 0.3° | 0.0° |
| CAJ | CAT | CAK | HAK | 179.7° | 179.9° |
| CAT | CAJ | CAU | OAQ | 179.2° | 180.0° |
| CAT | CAJ | CAU | CAW | 0.2° | 0.0° |
| CAJ | CAT | N | H11 | 60.0° | 179.7° |
| CAU | CAJ | CAT | CAK | 0.2° | 0.0° |
| CAJ | CAU | OAQ | CAW | 179.4° | 180.0° |
| CAJ | CAU | CAW | CAV | 0.2° | 0.0° |
| HAJ | CAJ | CAT | CAK | 179.8° | 180.0° |
| HAJ | CAJ | CAU | OAQ | 0.8° | 0.0° |
| HAJ | CAJ | CAU | CAW | 179.8° | 180.0° |
| CAT | CAK | CAV | HAK | 180.0° | 179.9° |
| CAT | CAK | CAV | CAW | 0.7° | 0.0° |
| CAK | CAT | N | H11 | 121.1° | 0.3° |
| CAK | CAV | CAW | CAU | 0.7° | 0.0° |
| HAK | CAK | CAV | CAW | 179.2° | 179.9° |
| OAQ | CAU | CAW | CAV | 179.6° | 180.0° |
