03K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | N1L | sing | 1.35Å | 1.34Å | |
| CAR | N1L | sing | 1.40Å | 1.36Å | |
| N1L | HN1L | sing | 0.97Å | 1.00Å | |
| N2A | CAN | sing | 1.35Å | 1.32Å | |
| N2A | HN2A | sing | 0.97Å | 1.00Å | |
| N2A | HN2B | sing | 0.97Å | 1.00Å | |
| CAS | N3K | sing | 1.35Å | 1.34Å | Aromatic |
| N3K | N4M | sing | 1.40Å | 1.25Å | Aromatic |
| CAR | N4M | doub | 1.31Å | 1.33Å | Aromatic |
| CAN | OAB | doub | 1.22Å | 1.23Å | |
| OAC | CAO | doub | 1.22Å | 1.23Å | |
| CAF | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAP | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAQ | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAS | CAH | doub | 1.35Å | 1.35Å | Aromatic |
| CAH | CAR | sing | 1.40Å | 1.35Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAI | CAT | sing | 1.53Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | CAT | sing | 1.53Å | 1.53Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAP | CAN | sing | 1.48Å | 1.54Å | |
| CAO | CAQ | sing | 1.48Å | 1.53Å | |
| CAT | CAS | sing | 1.51Å | 1.55Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| N3K | HN3K | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | N1L | CAR | 124.2° | 120.0° |
| CAO | N1L | HN1L | 117.9° | 120.0° |
| N1L | CAO | OAC | 124.5° | 120.0° |
| N1L | CAO | CAQ | 116.7° | 120.0° |
| CAR | N1L | HN1L | 117.9° | 120.0° |
| N1L | CAR | N4M | 119.3° | 125.9° |
| N1L | CAR | CAH | 132.3° | 126.0° |
| CAN | N2A | HN2A | 120.0° | 120.0° |
| CAN | N2A | HN2B | 120.0° | 120.0° |
| N2A | CAN | OAB | 123.7° | 120.0° |
| N2A | CAN | CAP | 116.5° | 120.0° |
| HN2A | N2A | HN2B | 120.0° | 120.0° |
| CAS | N3K | N4M | 108.3° | 108.0° |
| N3K | CAS | CAH | 109.0° | 107.9° |
| N3K | CAS | CAT | 119.1° | 126.1° |
| CAS | N3K | HN3K | 125.9° | 126.0° |
| N3K | N4M | CAR | 110.1° | 108.2° |
| N4M | N3K | HN3K | 125.9° | 126.0° |
| N4M | CAR | CAH | 108.3° | 108.0° |
| OAB | CAN | CAP | 119.7° | 120.0° |
| OAC | CAO | CAQ | 118.7° | 120.0° |
| CAF | CAD | CAP | 119.6° | 120.0° |
| CAF | CAD | HAD | 120.2° | 120.0° |
| CAD | CAF | CAQ | 120.4° | 120.0° |
| CAD | CAF | HAF | 119.8° | 120.0° |
| CAP | CAD | HAD | 120.2° | 120.0° |
| CAD | CAP | CAE | 119.6° | 120.0° |
| CAD | CAP | CAN | 122.6° | 120.0° |
| CAP | CAE | CAG | 120.9° | 120.0° |
| CAP | CAE | HAE | 119.6° | 120.0° |
| CAE | CAP | CAN | 117.6° | 120.0° |
| CAG | CAE | HAE | 119.5° | 120.0° |
| CAE | CAG | CAQ | 120.0° | 120.0° |
| CAE | CAG | HAG | 120.0° | 120.0° |
| CAQ | CAF | HAF | 119.8° | 120.0° |
| CAF | CAQ | CAG | 119.4° | 120.0° |
| CAF | CAQ | CAO | 119.1° | 120.0° |
| CAQ | CAG | HAG | 120.0° | 120.0° |
| CAG | CAQ | CAO | 121.5° | 120.0° |
| CAS | CAH | CAR | 104.3° | 107.9° |
| CAS | CAH | HAH | 127.9° | 126.1° |
| CAH | CAS | CAT | 131.9° | 126.1° |
| CAR | CAH | HAH | 127.9° | 126.0° |
| CAJ | CAI | CAT | 59.7° | 60.0° |
| CAJ | CAI | HAI | 131.0° | 117.4° |
| CAJ | CAI | HAIA | 131.1° | 117.5° |
| CAI | CAJ | CAT | 60.2° | 60.0° |
| CAI | CAJ | HAJ | 130.8° | 117.5° |
| CAI | CAJ | HAJA | 130.8° | 117.5° |
| CAT | CAI | HAI | 131.0° | 117.5° |
| CAT | CAI | HAIA | 131.1° | 117.5° |
| CAI | CAT | CAJ | 60.1° | 60.0° |
| CAI | CAT | CAS | 117.5° | 117.5° |
| CAI | CAT | HAT | 135.0° | 117.5° |
| HAI | CAI | HAIA | 81.6° | 115.6° |
| CAT | CAJ | HAJ | 130.8° | 117.5° |
| CAT | CAJ | HAJA | 130.8° | 117.5° |
| CAJ | CAT | CAS | 117.5° | 117.5° |
| CAJ | CAT | HAT | 135.0° | 117.5° |
| HAJ | CAJ | HAJA | 81.9° | 115.5° |
| CAS | CAT | HAT | 93.0° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | N1L | CAR | HN1L | 180.0° | 179.8° |
| CAO | N1L | CAR | N4M | 166.1° | 179.9° |
| N1L | CAO | OAC | CAQ | 177.3° | 180.0° |
| N1L | CAO | CAQ | CAF | 148.1° | 180.0° |
| N1L | CAO | CAQ | CAG | 33.5° | 0.0° |
| CAO | N1L | CAR | CAH | 13.0° | 0.2° |
| N1L | CAR | N4M | N3K | 178.0° | 179.7° |
| N1L | CAR | N4M | CAH | 179.3° | 179.7° |
| CAR | N1L | CAO | OAC | 2.4° | 0.2° |
| N1L | CAR | CAH | CAS | 179.0° | 180.0° |
| N1L | CAR | CAH | HAH | 1.1° | 0.0° |
| CAR | N1L | CAO | CAQ | 179.7° | 179.8° |
| HN1L | N1L | CAR | N4M | 13.9° | 0.3° |
| HN1L | N1L | CAO | OAC | 177.6° | 179.9° |
| HN1L | N1L | CAR | CAH | 167.0° | 180.0° |
| HN1L | N1L | CAO | CAQ | 0.3° | 0.0° |
| CAN | N2A | HN2A | HN2B | 180.0° | 180.0° |
| N2A | CAN | OAB | CAP | 179.8° | 180.0° |
| N2A | CAN | CAP | CAD | 34.6° | 180.0° |
| N2A | CAN | CAP | CAE | 149.9° | 0.0° |
| HN2A | N2A | CAN | OAB | 0.0° | 0.0° |
| HN2A | N2A | CAN | CAP | 179.8° | 180.0° |
| HN2B | N2A | CAN | OAB | 180.0° | 180.0° |
| HN2B | N2A | CAN | CAP | 0.2° | 0.0° |
| CAS | N3K | N4M | HN3K | 180.0° | 179.8° |
| CAS | N3K | N4M | CAR | 1.8° | 0.3° |
| N3K | CAS | CAH | CAT | 179.8° | 179.6° |
| N3K | CAS | CAH | CAR | 0.9° | 0.4° |
| N3K | CAS | CAH | HAH | 179.2° | 179.6° |
| N3K | CAS | CAT | CAI | 143.7° | 35.0° |
| N3K | CAS | CAT | CAJ | 147.5° | 33.6° |
| N3K | CAS | CAT | HAT | 1.9° | 179.3° |
| N4M | N3K | CAS | CAH | 1.7° | 0.4° |
| N3K | N4M | CAR | CAH | 1.3° | 0.0° |
| N4M | N3K | CAS | CAT | 178.1° | 180.0° |
| N4M | CAR | CAH | CAS | 0.2° | 0.3° |
| N4M | CAR | CAH | HAH | 179.8° | 179.7° |
| CAR | N4M | N3K | HN3K | 178.2° | 179.9° |
| OAB | CAN | CAP | CAD | 145.2° | 0.1° |
| OAB | CAN | CAP | CAE | 30.3° | 180.0° |
| OAC | CAO | CAQ | CAF | 34.4° | 0.1° |
| OAC | CAO | CAQ | CAG | 144.0° | 180.0° |
| CAF | CAD | CAP | HAD | 180.0° | 179.6° |
| CAF | CAD | CAP | CAE | 4.2° | 0.4° |
| CAD | CAF | CAQ | HAF | 180.0° | 179.9° |
| CAD | CAF | CAQ | CAG | 1.7° | 0.1° |
| CAF | CAD | CAP | CAN | 179.7° | 179.7° |
| CAD | CAF | CAQ | CAO | 176.7° | 180.0° |
| CAD | CAP | CAE | CAN | 175.7° | 179.9° |
| CAD | CAP | CAE | CAG | 3.8° | 0.7° |
| CAD | CAP | CAE | HAE | 176.2° | 180.0° |
| CAP | CAD | CAF | CAQ | 3.2° | 0.1° |
| CAP | CAD | CAF | HAF | 176.8° | 180.0° |
| HAD | CAD | CAP | CAE | 175.8° | 180.0° |
| HAD | CAD | CAF | CAQ | 176.8° | 179.7° |
| HAD | CAD | CAF | HAF | 3.2° | 0.4° |
| HAD | CAD | CAP | CAN | 0.3° | 0.1° |
| CAP | CAE | CAG | HAE | 180.0° | 179.4° |
| CAP | CAE | CAG | CAQ | 2.3° | 0.7° |
| CAP | CAE | CAG | HAG | 177.7° | 179.4° |
| CAE | CAG | CAQ | CAF | 1.3° | 0.4° |
| CAE | CAG | CAQ | HAG | 180.0° | 179.9° |
| CAG | CAE | CAP | CAN | 179.5° | 179.4° |
| CAE | CAG | CAQ | CAO | 177.1° | 179.7° |
| HAE | CAE | CAG | CAQ | 177.6° | 180.0° |
| HAE | CAE | CAG | HAG | 2.3° | 0.0° |
| HAE | CAE | CAP | CAN | 0.5° | 0.0° |
| CAF | CAQ | CAG | CAO | 178.4° | 180.0° |
| CAF | CAQ | CAG | HAG | 178.8° | 179.7° |
| HAF | CAF | CAQ | CAG | 178.3° | 180.0° |
| HAF | CAF | CAQ | CAO | 3.3° | 0.1° |
| HAG | CAG | CAQ | CAO | 2.8° | 0.3° |
| CAS | CAH | CAR | HAH | 180.0° | 180.0° |
| CAH | CAS | CAT | CAI | 36.5° | 144.5° |
| CAH | CAS | CAT | CAJ | 32.2° | 146.9° |
| CAH | CAS | CAT | HAT | 177.9° | 1.2° |
| CAH | CAS | N3K | HN3K | 178.4° | 179.8° |
| CAR | CAH | CAS | CAT | 178.9° | 180.0° |
| HAH | CAH | CAS | CAT | 1.1° | 0.0° |
| CAJ | CAI | CAT | HAI | 120.0° | 107.4° |
| CAJ | CAI | CAT | HAIA | 120.0° | 107.5° |
| CAJ | CAI | HAI | HAIA | 138.7° | 145.7° |
| CAI | CAJ | CAT | HAJ | 120.0° | 107.5° |
| CAI | CAJ | CAT | HAJA | 120.0° | 107.5° |
| CAI | CAJ | HAJ | HAJA | 138.5° | 145.6° |
| CAJ | CAI | CAT | CAS | 107.5° | 107.5° |
| CAJ | CAI | CAT | HAT | 125.3° | 107.5° |
| CAT | CAI | HAI | HAIA | 138.7° | 145.7° |
| CAI | CAT | CAS | HAT | 145.6° | 145.7° |
| HAI | CAI | CAJ | HAJ | 120.1° | 145.0° |
| HAI | CAI | CAJ | HAJA | 0.1° | 0.1° |
| HAI | CAI | CAT | CAS | 132.5° | 145.1° |
| HAI | CAI | CAT | HAT | 5.4° | 0.0° |
| HAIA | CAI | CAJ | HAJ | 0.0° | 0.0° |
| HAIA | CAI | CAJ | HAJA | 120.0° | 145.0° |
| HAIA | CAI | CAT | CAS | 12.5° | 0.0° |
| HAIA | CAI | CAT | HAT | 114.7° | 145.0° |
| CAT | CAJ | HAJ | HAJA | 138.5° | 145.7° |
| CAJ | CAT | CAS | HAT | 145.6° | 145.7° |
| HAJ | CAJ | CAT | CAS | 12.4° | 0.0° |
| HAJ | CAJ | CAT | HAT | 114.7° | 145.1° |
| HAJA | CAJ | CAT | CAS | 132.4° | 145.0° |
| HAJA | CAJ | CAT | HAT | 5.3° | 0.0° |
| CAT | CAS | N3K | HN3K | 1.8° | 0.2° |
