1PC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CP | CO | sing | 1.53Å | 1.51Å | |
| CP | CQ | sing | 1.53Å | 1.54Å | |
| CP | HP1 | sing | 1.09Å | 1.11Å | |
| CP | HP2 | sing | 1.09Å | 1.11Å | |
| CA | CB | doub | 1.38Å | 1.40Å | Aromatic |
| CA | CF | sing | 1.38Å | 1.42Å | Aromatic |
| CA | CG | sing | 1.51Å | 1.58Å | |
| CB | CC | sing | 1.38Å | 1.42Å | Aromatic |
| CB | HB | sing | 1.08Å | 1.10Å | |
| CC | CD | doub | 1.38Å | 1.43Å | Aromatic |
| CC | HC | sing | 1.08Å | 1.10Å | |
| CD | CE | sing | 1.38Å | 1.39Å | Aromatic |
| CD | HD | sing | 1.08Å | 1.10Å | |
| CE | CF | doub | 1.38Å | 1.41Å | Aromatic |
| CE | HE | sing | 1.08Å | 1.10Å | |
| CF | HF | sing | 1.08Å | 1.10Å | |
| CG | CH | sing | 1.53Å | 1.62Å | |
| CG | CL | sing | 1.53Å | 1.61Å | |
| CG | NM | sing | 1.47Å | 1.58Å | |
| CH | CI | sing | 1.53Å | 1.52Å | |
| CH | HH1 | sing | 1.09Å | 1.12Å | |
| CH | HH2 | sing | 1.09Å | 1.11Å | |
| CI | CJ | sing | 1.53Å | 1.59Å | |
| CI | HI1 | sing | 1.09Å | 1.12Å | |
| CI | HI2 | sing | 1.09Å | 1.11Å | |
| CJ | CK | sing | 1.53Å | 1.55Å | |
| CJ | HJ1 | sing | 1.09Å | 1.12Å | |
| CJ | HJ2 | sing | 1.09Å | 1.12Å | |
| CK | CL | sing | 1.53Å | 1.54Å | |
| CK | HK1 | sing | 1.09Å | 1.12Å | |
| CK | HK2 | sing | 1.09Å | 1.11Å | |
| CL | HL1 | sing | 1.09Å | 1.12Å | |
| CL | HL2 | sing | 1.09Å | 1.12Å | |
| NM | CN | sing | 1.47Å | 1.54Å | |
| NM | CR | sing | 1.47Å | 1.50Å | |
| CN | CO | sing | 1.53Å | 1.53Å | |
| CN | HN1 | sing | 1.09Å | 1.12Å | |
| CN | HN2 | sing | 1.09Å | 1.11Å | |
| CO | HO1 | sing | 1.09Å | 1.11Å | |
| CO | HO2 | sing | 1.09Å | 1.12Å | |
| CQ | CR | sing | 1.53Å | 1.50Å | |
| CQ | HQ1 | sing | 1.09Å | 1.12Å | |
| CQ | HQ2 | sing | 1.09Å | 1.11Å | |
| CR | HR1 | sing | 1.09Å | 1.11Å | |
| CR | HR2 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CO | CP | CQ | 107.9° | 108.9° |
| CO | CP | HP1 | 112.8° | 109.6° |
| CO | CP | HP2 | 112.8° | 109.6° |
| CP | CO | CN | 111.9° | 109.2° |
| CP | CO | HO1 | 111.4° | 109.6° |
| CP | CO | HO2 | 111.3° | 109.5° |
| CQ | CP | HP1 | 112.7° | 109.5° |
| CQ | CP | HP2 | 112.7° | 109.5° |
| CP | CQ | CR | 113.9° | 109.2° |
| CP | CQ | HQ1 | 110.6° | 109.5° |
| CP | CQ | HQ2 | 110.7° | 109.5° |
| HP1 | CP | HP2 | 97.8° | 109.6° |
| CB | CA | CF | 117.2° | 120.0° |
| CB | CA | CG | 120.8° | 120.0° |
| CA | CB | CC | 122.2° | 120.0° |
| CA | CB | HB | 118.4° | 120.0° |
| CF | CA | CG | 122.1° | 120.0° |
| CA | CF | CE | 120.9° | 120.0° |
| CA | CF | HF | 120.0° | 120.0° |
| CA | CG | CH | 110.6° | 109.4° |
| CA | CG | CL | 117.1° | 109.5° |
| CA | CG | NM | 110.0° | 109.5° |
| CC | CB | HB | 119.4° | 120.0° |
| CB | CC | CD | 120.0° | 120.0° |
| CB | CC | HC | 119.6° | 120.0° |
| CD | CC | HC | 120.4° | 120.0° |
| CC | CD | CE | 117.7° | 119.9° |
| CC | CD | HD | 122.4° | 120.0° |
| CE | CD | HD | 120.0° | 120.0° |
| CD | CE | CF | 122.2° | 120.1° |
| CD | CE | HE | 118.4° | 120.0° |
| CF | CE | HE | 119.5° | 119.9° |
| CE | CF | HF | 119.2° | 120.0° |
| CH | CG | CL | 103.1° | 109.4° |
| CH | CG | NM | 108.2° | 109.4° |
| CG | CH | CI | 108.2° | 109.5° |
| CG | CH | HH1 | 112.7° | 109.5° |
| CG | CH | HH2 | 112.7° | 109.5° |
| CL | CG | NM | 107.3° | 109.5° |
| CG | CL | CK | 113.9° | 109.5° |
| CG | CL | HL1 | 110.6° | 109.4° |
| CG | CL | HL2 | 110.6° | 109.5° |
| CG | NM | CN | 117.0° | 106.6° |
| CG | NM | CR | 110.8° | 106.7° |
| CI | CH | HH1 | 112.6° | 109.5° |
| CI | CH | HH2 | 112.7° | 109.4° |
| CH | CI | CJ | 109.1° | 109.5° |
| CH | CI | HI1 | 112.4° | 109.5° |
| CH | CI | HI2 | 112.4° | 109.5° |
| HH1 | CH | HH2 | 97.8° | 109.5° |
| CJ | CI | HI1 | 112.3° | 109.4° |
| CJ | CI | HI2 | 112.3° | 109.5° |
| CI | CJ | CK | 109.7° | 109.5° |
| CI | CJ | HJ1 | 112.1° | 109.5° |
| CI | CJ | HJ2 | 112.1° | 109.5° |
| HI1 | CI | HI2 | 98.1° | 109.5° |
| CK | CJ | HJ1 | 112.1° | 109.5° |
| CK | CJ | HJ2 | 112.1° | 109.4° |
| CJ | CK | CL | 108.3° | 109.4° |
| CJ | CK | HK1 | 112.6° | 109.5° |
| CJ | CK | HK2 | 112.6° | 109.5° |
| HJ1 | CJ | HJ2 | 98.3° | 109.5° |
| CL | CK | HK1 | 112.7° | 109.4° |
| CL | CK | HK2 | 112.7° | 109.5° |
| CK | CL | HL1 | 110.5° | 109.5° |
| CK | CL | HL2 | 110.6° | 109.5° |
| HK1 | CK | HK2 | 97.8° | 109.5° |
| HL1 | CL | HL2 | 99.7° | 109.5° |
| CN | NM | CR | 109.0° | 107.3° |
| NM | CN | CO | 110.5° | 109.7° |
| NM | CN | HN1 | 111.8° | 109.4° |
| NM | CN | HN2 | 111.8° | 109.5° |
| NM | CR | CQ | 115.2° | 109.7° |
| NM | CR | HR1 | 110.1° | 109.4° |
| NM | CR | HR2 | 110.1° | 109.4° |
| CO | CN | HN1 | 111.8° | 109.4° |
| CO | CN | HN2 | 111.8° | 109.4° |
| CN | CO | HO1 | 111.3° | 109.5° |
| CN | CO | HO2 | 111.3° | 109.5° |
| HN1 | CN | HN2 | 98.6° | 109.4° |
| HO1 | CO | HO2 | 99.1° | 109.5° |
| CR | CQ | HQ1 | 110.6° | 109.5° |
| CR | CQ | HQ2 | 110.6° | 109.5° |
| CQ | CR | HR1 | 110.2° | 109.4° |
| CQ | CR | HR2 | 110.1° | 109.4° |
| HQ1 | CQ | HQ2 | 99.7° | 109.6° |
| HR1 | CR | HR2 | 100.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CO | CP | CQ | HP1 | 125.2° | 119.9° |
| CO | CP | CQ | HP2 | 125.3° | 119.8° |
| CO | CP | HP1 | HP2 | 118.8° | 120.3° |
| CP | CO | CN | NM | 61.8° | 61.5° |
| CP | CO | CN | HO1 | 125.3° | 120.0° |
| CP | CO | CN | HO2 | 125.2° | 119.9° |
| CP | CO | CN | HN1 | 172.9° | 178.5° |
| CP | CO | CN | HN2 | 63.4° | 58.7° |
| CP | CO | HO1 | HO2 | 117.2° | 120.1° |
| CO | CP | CQ | CR | 51.3° | 55.6° |
| CO | CP | CQ | HQ1 | 73.9° | 175.5° |
| CO | CP | CQ | HQ2 | 176.6° | 64.2° |
| CQ | CP | HP1 | HP2 | 118.7° | 120.2° |
| CP | CQ | CR | NM | 50.7° | 61.4° |
| CQ | CP | CO | CN | 57.3° | 55.6° |
| CQ | CP | CO | HO1 | 177.4° | 64.3° |
| CQ | CP | CO | HO2 | 67.9° | 175.5° |
| CP | CQ | CR | HQ1 | 125.3° | 119.9° |
| CP | CQ | CR | HQ2 | 125.3° | 119.9° |
| CP | CQ | HQ1 | HQ2 | 116.5° | 120.2° |
| CP | CQ | CR | HR1 | 74.6° | 178.6° |
| CP | CQ | CR | HR2 | 175.9° | 58.7° |
| HP1 | CP | CO | CN | 177.5° | 64.2° |
| HP1 | CP | CO | HO1 | 52.2° | 175.9° |
| HP1 | CP | CO | HO2 | 57.3° | 55.7° |
| HP1 | CP | CQ | CR | 176.5° | 64.3° |
| HP1 | CP | CQ | HQ1 | 51.3° | 55.6° |
| HP1 | CP | CQ | HQ2 | 58.2° | 175.8° |
| HP2 | CP | CO | CN | 67.9° | 175.4° |
| HP2 | CP | CO | HO1 | 57.4° | 55.5° |
| HP2 | CP | CO | HO2 | 166.9° | 64.7° |
| HP2 | CP | CQ | CR | 73.9° | 175.5° |
| HP2 | CP | CQ | HQ1 | 160.8° | 64.7° |
| HP2 | CP | CQ | HQ2 | 51.3° | 55.6° |
| CB | CA | CF | CG | 179.3° | 179.7° |
| CA | CB | CC | HB | 179.9° | 180.0° |
| CA | CB | CC | CD | 0.3° | 0.0° |
| CA | CB | CC | HC | 179.8° | 180.0° |
| CB | CA | CF | CE | 0.1° | 0.5° |
| CB | CA | CF | HF | 180.0° | 180.0° |
| CB | CA | CG | CH | 24.2° | 59.8° |
| CB | CA | CG | CL | 141.9° | 60.2° |
| CB | CA | CG | NM | 95.3° | 179.7° |
| CF | CA | CB | CC | 0.0° | 0.3° |
| CF | CA | CB | HB | 179.9° | 179.7° |
| CA | CF | CE | CD | 0.1° | 0.5° |
| CA | CF | CE | HF | 180.0° | 179.5° |
| CA | CF | CE | HE | 180.0° | 179.8° |
| CF | CA | CG | CH | 155.0° | 120.6° |
| CF | CA | CG | CL | 37.4° | 119.5° |
| CF | CA | CG | NM | 85.5° | 0.6° |
| CG | CA | CB | CC | 179.3° | 180.0° |
| CG | CA | CB | HB | 0.6° | 0.0° |
| CG | CA | CF | CE | 179.2° | 179.8° |
| CG | CA | CF | HF | 0.8° | 0.3° |
| CA | CG | CH | CL | 126.0° | 120.0° |
| CA | CG | CH | NM | 120.6° | 120.0° |
| CA | CG | CL | NM | 124.2° | 120.1° |
| CA | CG | CH | CI | 62.7° | 180.0° |
| CA | CG | CH | HH1 | 172.1° | 60.0° |
| CA | CG | CH | HH2 | 62.5° | 60.0° |
| CA | CG | CL | CK | 61.0° | 180.0° |
| CA | CG | CL | HL1 | 64.3° | 60.1° |
| CA | CG | CL | HL2 | 173.8° | 59.9° |
| CA | CG | NM | CN | 58.0° | 57.6° |
| CA | CG | NM | CR | 67.8° | 56.8° |
| CB | CC | CD | HC | 179.9° | 180.0° |
| CB | CC | CD | CE | 0.4° | 0.0° |
| CB | CC | CD | HD | 179.5° | 180.0° |
| HB | CB | CC | CD | 179.7° | 180.0° |
| HB | CB | CC | HC | 0.3° | 0.0° |
| CC | CD | CE | HD | 179.9° | 180.0° |
| CC | CD | CE | CF | 0.3° | 0.2° |
| CC | CD | CE | HE | 179.8° | 180.0° |
| HC | CC | CD | CE | 179.7° | 180.0° |
| HC | CC | CD | HD | 0.4° | 0.0° |
| CD | CE | CF | HE | 179.9° | 179.8° |
| CD | CE | CF | HF | 179.9° | 180.0° |
| HD | CD | CE | CF | 179.6° | 179.8° |
| HD | CD | CE | HE | 0.3° | 0.0° |
| HE | CE | CF | HF | 0.0° | 0.3° |
| CH | CG | CL | NM | 114.1° | 119.9° |
| CG | CH | CI | HH1 | 125.2° | 120.0° |
| CG | CH | CI | HH2 | 125.3° | 120.0° |
| CG | CH | HH1 | HH2 | 118.6° | 120.0° |
| CG | CH | CI | CJ | 67.2° | 60.0° |
| CG | CH | CI | HI1 | 167.6° | 180.0° |
| CG | CH | CI | HI2 | 58.1° | 60.0° |
| CH | CG | CL | CK | 60.7° | 60.0° |
| CH | CG | CL | HL1 | 174.0° | 180.0° |
| CH | CG | CL | HL2 | 64.5° | 60.0° |
| CH | CG | NM | CN | 179.0° | 177.5° |
| CH | CG | NM | CR | 53.2° | 63.1° |
| CL | CG | CH | CI | 63.3° | 60.0° |
| CL | CG | CH | HH1 | 62.0° | 60.0° |
| CL | CG | CH | HH2 | 171.5° | 180.0° |
| CG | CL | CK | CJ | 59.1° | 60.0° |
| CG | CL | CK | HL1 | 125.3° | 119.9° |
| CG | CL | CK | HL2 | 125.3° | 120.1° |
| CG | CL | CK | HK1 | 175.7° | 180.0° |
| CG | CL | CK | HK2 | 66.2° | 60.0° |
| CG | CL | HL1 | HL2 | 116.5° | 120.0° |
| CL | CG | NM | CN | 70.4° | 62.5° |
| CL | CG | NM | CR | 163.8° | 176.9° |
| NM | CG | CH | CI | 176.7° | 60.0° |
| NM | CG | CH | HH1 | 51.5° | 180.0° |
| NM | CG | CH | HH2 | 58.0° | 60.0° |
| NM | CG | CL | CK | 174.8° | 59.9° |
| NM | CG | CL | HL1 | 59.9° | 60.0° |
| NM | CG | CL | HL2 | 49.6° | 180.0° |
| CG | NM | CN | CR | 126.7° | 114.0° |
| CG | NM | CN | CO | 177.6° | 179.7° |
| CG | NM | CN | HN1 | 52.4° | 60.3° |
| CG | NM | CN | HN2 | 57.1° | 59.6° |
| CG | NM | CR | CQ | 178.6° | 179.7° |
| CG | NM | CR | HR1 | 56.1° | 60.3° |
| CG | NM | CR | HR2 | 53.3° | 59.6° |
| CI | CH | HH1 | HH2 | 118.6° | 120.0° |
| CH | CI | CJ | HI1 | 125.3° | 120.0° |
| CH | CI | CJ | HI2 | 125.3° | 120.0° |
| CH | CI | HI1 | HI2 | 118.3° | 120.0° |
| CH | CI | CJ | CK | 63.2° | 60.1° |
| CH | CI | CJ | HJ1 | 62.1° | 60.0° |
| CH | CI | CJ | HJ2 | 171.5° | 180.0° |
| HH1 | CH | CI | CJ | 58.0° | 60.0° |
| HH1 | CH | CI | HI1 | 67.2° | 60.0° |
| HH1 | CH | CI | HI2 | 176.7° | 179.9° |
| HH2 | CH | CI | CJ | 167.5° | 180.0° |
| HH2 | CH | CI | HI1 | 42.3° | 60.0° |
| HH2 | CH | CI | HI2 | 67.2° | 60.0° |
| CJ | CI | HI1 | HI2 | 118.2° | 120.0° |
| CI | CJ | CK | HJ1 | 125.3° | 120.1° |
| CI | CJ | CK | HJ2 | 125.3° | 120.0° |
| CI | CJ | HJ1 | HJ2 | 118.0° | 120.1° |
| CI | CJ | CK | CL | 56.5° | 60.0° |
| CI | CJ | CK | HK1 | 178.2° | 180.0° |
| CI | CJ | CK | HK2 | 68.8° | 60.0° |
| HI1 | CI | CJ | CK | 171.5° | 180.0° |
| HI1 | CI | CJ | HJ1 | 63.2° | 60.0° |
| HI1 | CI | CJ | HJ2 | 46.2° | 60.1° |
| HI2 | CI | CJ | CK | 62.1° | 60.0° |
| HI2 | CI | CJ | HJ1 | 172.6° | 180.0° |
| HI2 | CI | CJ | HJ2 | 63.2° | 59.9° |
| CK | CJ | HJ1 | HJ2 | 118.0° | 119.9° |
| CJ | CK | CL | HK1 | 125.2° | 120.0° |
| CJ | CK | CL | HK2 | 125.2° | 120.0° |
| CJ | CK | HK1 | HK2 | 118.5° | 120.1° |
| CJ | CK | CL | HL1 | 175.7° | 180.0° |
| CJ | CK | CL | HL2 | 66.2° | 60.0° |
| HJ1 | CJ | CK | CL | 68.8° | 60.0° |
| HJ1 | CJ | CK | HK1 | 56.5° | 59.9° |
| HJ1 | CJ | CK | HK2 | 165.9° | 180.0° |
| HJ2 | CJ | CK | CL | 178.2° | 180.0° |
| HJ2 | CJ | CK | HK1 | 52.9° | 60.0° |
| HJ2 | CJ | CK | HK2 | 56.5° | 60.0° |
| CL | CK | HK1 | HK2 | 118.7° | 120.0° |
| CK | CL | HL1 | HL2 | 116.4° | 120.0° |
| HK1 | CK | CL | HL1 | 50.4° | 60.0° |
| HK1 | CK | CL | HL2 | 59.0° | 60.0° |
| HK2 | CK | CL | HL1 | 59.1° | 60.0° |
| HK2 | CK | CL | HL2 | 168.6° | 179.9° |
| NM | CN | CO | HN1 | 125.2° | 120.1° |
| NM | CN | CO | HN2 | 125.2° | 120.2° |
| NM | CN | HN1 | HN2 | 117.7° | 119.9° |
| NM | CN | CO | HO1 | 172.8° | 58.5° |
| NM | CN | CO | HO2 | 63.4° | 178.6° |
| CN | NM | CR | CQ | 51.2° | 65.7° |
| CN | NM | CR | HR1 | 74.1° | 174.3° |
| CN | NM | CR | HR2 | 176.5° | 54.4° |
| CR | NM | CN | CO | 55.6° | 65.7° |
| CR | NM | CN | HN1 | 179.1° | 174.2° |
| CR | NM | CN | HN2 | 69.6° | 54.4° |
| NM | CR | CQ | HR1 | 125.3° | 120.0° |
| NM | CR | CQ | HR2 | 125.2° | 120.1° |
| NM | CR | CQ | HQ1 | 74.6° | 178.7° |
| NM | CR | CQ | HQ2 | 176.0° | 58.5° |
| NM | CR | HR1 | HR2 | 115.9° | 119.9° |
| CO | CN | HN1 | HN2 | 117.8° | 119.8° |
| CN | CO | HO1 | HO2 | 117.2° | 120.1° |
| HN1 | CN | CO | HO1 | 47.6° | 61.6° |
| HN1 | CN | CO | HO2 | 61.8° | 58.6° |
| HN2 | CN | CO | HO1 | 61.9° | 178.7° |
| HN2 | CN | CO | HO2 | 171.4° | 61.2° |
| CR | CQ | HQ1 | HQ2 | 116.4° | 120.1° |
| CQ | CR | HR1 | HR2 | 116.0° | 119.9° |
| HQ1 | CQ | CR | HR1 | 160.1° | 58.6° |
| HQ1 | CQ | CR | HR2 | 50.6° | 61.3° |
| HQ2 | CQ | CR | HR1 | 50.7° | 61.6° |
| HQ2 | CQ | CR | HR2 | 58.8° | 178.5° |
