C55
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| OL | CK | doub | 1.21Å | 1.21Å | |
| N1 | C2 | sing | 1.46Å | 1.49Å | |
| N1 | C3 | sing | 1.35Å | 1.30Å | |
| C4 | C3 | sing | 1.48Å | 1.38Å | |
| C4 | NM | doub | 1.29Å | 1.31Å | |
| C3 | O3 | doub | 1.22Å | 1.21Å | |
| OM | NM | sing | 1.42Å | 1.42Å | |
| OM | CL | sing | 1.43Å | 1.42Å | |
| CK | CL | sing | 1.51Å | 1.53Å | |
| CK | NJ | sing | 1.35Å | 1.31Å | |
| CI | NJ | sing | 1.47Å | 1.49Å | |
| CI | CH | sing | 1.51Å | 1.53Å | |
| CH | OI | doub | 1.21Å | 1.22Å | |
| C1 | O1 | sing | 1.34Å | 1.30Å | |
| CH | O4 | sing | 1.34Å | 1.30Å | |
| C2 | HC22 | sing | 1.09Å | 1.10Å | |
| C2 | HC21 | sing | 1.09Å | 1.10Å | |
| C4 | HC43 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CI | HI1 | sing | 1.09Å | 1.10Å | |
| CI | HI2 | sing | 1.09Å | 1.10Å | |
| NJ | HNJ | sing | 0.97Å | 1.00Å | |
| CL | HL1 | sing | 1.09Å | 1.10Å | |
| CL | HL2 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | C2 | 121.2° | 120.0° |
| O2 | C1 | O1 | 121.2° | 120.0° |
| C1 | C2 | N1 | 109.6° | 109.5° |
| C2 | C1 | O1 | 117.5° | 120.0° |
| C1 | C2 | HC22 | 109.5° | 109.4° |
| C1 | C2 | HC21 | 109.5° | 109.5° |
| OL | CK | CL | 121.3° | 120.0° |
| OL | CK | NJ | 121.3° | 120.0° |
| C2 | N1 | C3 | 120.0° | 120.0° |
| N1 | C2 | HC22 | 109.4° | 109.4° |
| N1 | C2 | HC21 | 109.5° | 109.5° |
| C2 | N1 | HN1 | 120.0° | 120.0° |
| N1 | C3 | C4 | 112.0° | 120.0° |
| N1 | C3 | O3 | 124.7° | 120.0° |
| C3 | N1 | HN1 | 120.0° | 120.0° |
| C3 | C4 | NM | 126.0° | 119.9° |
| C4 | C3 | O3 | 123.3° | 120.0° |
| C3 | C4 | HC43 | 117.0° | 120.0° |
| C4 | NM | OM | 120.0° | 120.0° |
| NM | C4 | HC43 | 117.0° | 120.0° |
| NM | OM | CL | 110.4° | 114.0° |
| OM | CL | CK | 109.4° | 109.5° |
| OM | CL | HL1 | 109.5° | 109.5° |
| OM | CL | HL2 | 109.5° | 109.5° |
| CL | CK | NJ | 117.4° | 120.0° |
| CK | CL | HL1 | 109.5° | 109.4° |
| CK | CL | HL2 | 109.5° | 109.5° |
| CK | NJ | CI | 119.9° | 120.0° |
| CK | NJ | HNJ | 120.1° | 120.1° |
| NJ | CI | CH | 109.5° | 109.5° |
| NJ | CI | HI1 | 109.5° | 109.4° |
| NJ | CI | HI2 | 109.5° | 109.5° |
| CI | NJ | HNJ | 120.0° | 120.0° |
| CI | CH | OI | 121.2° | 120.0° |
| CI | CH | O4 | 117.5° | 120.0° |
| CH | CI | HI1 | 109.5° | 109.4° |
| CH | CI | HI2 | 109.4° | 109.5° |
| OI | CH | O4 | 121.3° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| CH | O4 | H2 | 109.5° | 117.0° |
| HC22 | C2 | HC21 | 109.5° | 109.5° |
| HI1 | CI | HI2 | 109.5° | 109.5° |
| HL1 | CL | HL2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | C2 | O1 | 180.0° | 179.7° |
| O2 | C1 | C2 | N1 | 17.3° | 0.3° |
| O2 | C1 | C2 | HC22 | 137.3° | 120.3° |
| O2 | C1 | C2 | HC21 | 102.7° | 119.7° |
| O2 | C1 | O1 | H1 | 0.0° | 0.2° |
| C1 | C2 | N1 | HC22 | 120.0° | 119.9° |
| C1 | C2 | N1 | HC21 | 120.0° | 120.0° |
| C1 | C2 | N1 | C3 | 173.0° | 180.0° |
| C1 | C2 | HC22 | HC21 | 120.0° | 120.0° |
| C1 | C2 | N1 | HN1 | 7.0° | 0.1° |
| C2 | C1 | O1 | H1 | 180.0° | 180.0° |
| OL | CK | CL | OM | 0.1° | 0.0° |
| OL | CK | CL | NJ | 179.9° | 179.9° |
| OL | CK | NJ | CI | 0.1° | 0.1° |
| OL | CK | NJ | HNJ | 179.9° | 180.0° |
| OL | CK | CL | HL1 | 120.1° | 120.0° |
| OL | CK | CL | HL2 | 119.9° | 120.0° |
| C2 | N1 | C3 | HN1 | 180.0° | 179.9° |
| C2 | N1 | C3 | C4 | 180.0° | 180.0° |
| C2 | N1 | C3 | O3 | 0.1° | 0.0° |
| N1 | C2 | C1 | O1 | 162.7° | 180.0° |
| N1 | C2 | HC22 | HC21 | 120.0° | 120.0° |
| N1 | C3 | C4 | O3 | 180.0° | 180.0° |
| N1 | C3 | C4 | NM | 131.3° | 180.0° |
| C3 | N1 | C2 | HC22 | 66.9° | 60.1° |
| C3 | N1 | C2 | HC21 | 53.0° | 60.0° |
| N1 | C3 | C4 | HC43 | 48.7° | 0.1° |
| C3 | C4 | NM | HC43 | 180.0° | 179.9° |
| C3 | C4 | NM | OM | 130.1° | 180.0° |
| C4 | C3 | N1 | HN1 | 0.0° | 0.1° |
| NM | C4 | C3 | O3 | 48.8° | 0.0° |
| C4 | NM | OM | CL | 157.9° | 180.0° |
| O3 | C3 | C4 | HC43 | 131.2° | 179.9° |
| O3 | C3 | N1 | HN1 | 180.0° | 179.9° |
| NM | OM | CL | CK | 180.0° | 180.0° |
| OM | NM | C4 | HC43 | 49.9° | 0.1° |
| NM | OM | CL | HL1 | 60.0° | 60.0° |
| NM | OM | CL | HL2 | 60.0° | 60.1° |
| OM | CL | CK | HL1 | 120.0° | 120.0° |
| OM | CL | CK | HL2 | 120.0° | 120.0° |
| OM | CL | CK | NJ | 179.9° | 180.0° |
| OM | CL | HL1 | HL2 | 120.1° | 120.0° |
| CL | CK | NJ | CI | 180.0° | 180.0° |
| CL | CK | NJ | HNJ | 0.0° | 0.1° |
| CK | CL | HL1 | HL2 | 120.0° | 120.0° |
| CK | NJ | CI | HNJ | 180.0° | 179.9° |
| CK | NJ | CI | CH | 170.0° | 180.0° |
| CK | NJ | CI | HI1 | 50.0° | 60.0° |
| CK | NJ | CI | HI2 | 70.0° | 59.9° |
| NJ | CK | CL | HL1 | 60.1° | 60.1° |
| NJ | CK | CL | HL2 | 59.9° | 60.0° |
| NJ | CI | CH | HI1 | 120.0° | 120.0° |
| NJ | CI | CH | HI2 | 120.0° | 120.1° |
| NJ | CI | CH | OI | 71.0° | 0.1° |
| NJ | CI | CH | O4 | 108.9° | 180.0° |
| NJ | CI | HI1 | HI2 | 120.0° | 120.0° |
| CI | CH | OI | O4 | 179.9° | 179.9° |
| CH | CI | HI1 | HI2 | 120.0° | 120.0° |
| CH | CI | NJ | HNJ | 10.0° | 0.1° |
| CI | CH | O4 | H2 | 179.9° | 179.9° |
| OI | CH | CI | HI1 | 49.0° | 120.0° |
| OI | CH | CI | HI2 | 169.0° | 120.0° |
| OI | CH | O4 | H2 | 0.0° | 0.0° |
| O1 | C1 | C2 | HC22 | 42.7° | 60.0° |
| O1 | C1 | C2 | HC21 | 77.3° | 60.0° |
| O4 | CH | CI | HI1 | 131.1° | 60.0° |
| O4 | CH | CI | HI2 | 11.1° | 59.9° |
| HC22 | C2 | N1 | HN1 | 113.0° | 120.0° |
| HC21 | C2 | N1 | HN1 | 127.0° | 120.0° |
| HI1 | CI | NJ | HNJ | 130.0° | 120.0° |
| HI2 | CI | NJ | HNJ | 110.0° | 120.0° |
