Obsolete: UCD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAP | sing | 1.51Å | 1.53Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAP | OAB | doub | 1.21Å | 1.23Å | |
| CAP | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C2 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | CAX | sing | 1.43Å | 1.44Å | |
| CAX | OAM | sing | 1.42Å | 1.44Å | |
| CAX | CAU | sing | 1.54Å | 1.53Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| OAM | CAR | sing | 1.34Å | 1.36Å | |
| CAR | CAQ | sing | 1.47Å | 1.53Å | |
| CAR | CAJ | doub | 1.32Å | 1.39Å | |
| CAQ | OAE | sing | 1.35Å | 1.25Å | |
| CAQ | OAC | doub | 1.22Å | 1.25Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAJ | CAS | sing | 1.51Å | 1.53Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAS | OAF | sing | 1.43Å | 1.43Å | |
| CAS | CAU | sing | 1.54Å | 1.53Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAU | OAH | sing | 1.43Å | 1.43Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| OAH | HAH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAA | HAA1 | 109.4° | 109.5° |
| CAP | CAA | HAA2 | 109.5° | 109.5° |
| CAP | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAP | OAB | 120.8° | 120.0° |
| CAA | CAP | N2 | 114.9° | 120.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| OAB | CAP | N2 | 124.3° | 120.0° |
| CAP | N2 | C2 | 122.6° | 120.0° |
| CAP | N2 | HN2 | 118.7° | 120.0° |
| C2 | N2 | HN2 | 118.7° | 120.0° |
| N2 | C2 | C1 | 110.0° | 109.5° |
| N2 | C2 | C3 | 109.3° | 109.5° |
| N2 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.1° |
| C1 | C2 | H2 | 108.3° | 109.6° |
| C2 | C1 | O1 | 109.1° | 109.4° |
| C2 | C1 | O5 | 109.4° | 109.7° |
| C2 | C1 | H1 | 109.8° | 109.4° |
| C3 | C2 | H2 | 109.1° | 109.6° |
| C2 | C3 | C4 | 109.7° | 108.6° |
| C2 | C3 | O3 | 107.7° | 109.9° |
| C2 | C3 | H3 | 111.2° | 109.5° |
| O1 | C1 | O5 | 109.4° | 109.4° |
| O1 | C1 | H1 | 109.7° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 106.8° |
| O5 | C1 | H1 | 109.5° | 109.4° |
| C1 | O5 | C5 | 111.9° | 107.6° |
| O5 | C5 | C6 | 108.5° | 109.4° |
| O5 | C5 | C4 | 109.4° | 109.8° |
| O5 | C5 | H5 | 110.4° | 109.4° |
| C6 | C5 | C4 | 110.2° | 109.4° |
| C6 | C5 | H5 | 109.6° | 109.4° |
| C5 | C6 | O6 | 109.3° | 109.5° |
| C5 | C6 | H61 | 109.6° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C4 | C5 | H5 | 108.7° | 109.5° |
| C5 | C4 | O4 | 109.6° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.1° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| O6 | C6 | H61 | 109.5° | 109.4° |
| O6 | C6 | H62 | 109.5° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 106.8° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| O4 | C4 | C3 | 109.6° | 109.5° |
| O4 | C4 | H4 | 109.5° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 106.8° |
| C3 | C4 | H4 | 109.0° | 109.6° |
| C4 | C3 | O3 | 111.3° | 109.6° |
| C4 | C3 | H3 | 107.5° | 109.6° |
| O3 | C3 | H3 | 109.6° | 109.6° |
| C3 | O3 | CAX | 112.3° | 106.8° |
| O3 | CAX | OAM | 108.7° | 109.5° |
| O3 | CAX | CAU | 108.6° | 109.5° |
| O3 | CAX | HAX | 110.2° | 109.5° |
| OAM | CAX | CAU | 108.4° | 109.3° |
| OAM | CAX | HAX | 110.3° | 109.6° |
| CAX | OAM | CAR | 116.0° | 110.2° |
| CAU | CAX | HAX | 110.5° | 109.5° |
| CAX | CAU | CAS | 109.8° | 107.4° |
| CAX | CAU | OAH | 111.1° | 110.0° |
| CAX | CAU | HAU | 108.3° | 109.7° |
| OAM | CAR | CAQ | 118.4° | 116.8° |
| OAM | CAR | CAJ | 122.5° | 126.5° |
| CAQ | CAR | CAJ | 119.1° | 116.8° |
| CAR | CAQ | OAE | 117.5° | 120.0° |
| CAR | CAQ | OAC | 118.1° | 120.0° |
| CAR | CAJ | CAS | 121.2° | 122.3° |
| CAR | CAJ | HAJ | 119.4° | 118.9° |
| OAE | CAQ | OAC | 124.4° | 120.0° |
| CAQ | OAE | HAE | 109.5° | 120.0° |
| CAS | CAJ | HAJ | 119.4° | 118.8° |
| CAJ | CAS | OAF | 109.7° | 109.7° |
| CAJ | CAS | CAU | 109.6° | 108.2° |
| CAJ | CAS | HAS | 109.3° | 109.7° |
| OAF | CAS | CAU | 109.6° | 109.8° |
| OAF | CAS | HAS | 109.3° | 109.7° |
| CAS | OAF | HAF | 109.5° | 106.8° |
| CAU | CAS | HAS | 109.3° | 109.7° |
| CAS | CAU | OAH | 109.8° | 109.9° |
| CAS | CAU | HAU | 109.6° | 109.9° |
| OAH | CAU | HAU | 108.2° | 109.9° |
| CAU | OAH | HAH | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAA | HAA1 | HAA2 | 120.0° | 120.1° |
| CAP | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAP | CAA | HAA2 | HAA3 | 120.1° | 120.0° |
| CAA | CAP | OAB | N2 | 179.4° | 179.9° |
| CAA | CAP | N2 | C2 | 179.7° | 180.0° |
| CAA | CAP | N2 | HN2 | 0.3° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| HAA1 | CAA | CAP | OAB | 81.0° | 0.0° |
| HAA1 | CAA | CAP | N2 | 99.6° | 180.0° |
| HAA2 | CAA | CAP | OAB | 39.0° | 120.0° |
| HAA2 | CAA | CAP | N2 | 140.4° | 59.9° |
| HAA3 | CAA | CAP | OAB | 159.0° | 120.0° |
| HAA3 | CAA | CAP | N2 | 20.4° | 60.0° |
| OAB | CAP | N2 | C2 | 0.9° | 0.1° |
| OAB | CAP | N2 | HN2 | 179.1° | 180.0° |
| CAP | N2 | C2 | HN2 | 180.0° | 180.0° |
| CAP | N2 | C2 | C1 | 128.7° | 85.1° |
| CAP | N2 | C2 | C3 | 109.7° | 155.2° |
| CAP | N2 | C2 | H2 | 9.7° | 35.0° |
| N2 | C2 | C1 | C3 | 120.8° | 119.9° |
| N2 | C2 | C1 | H2 | 119.8° | 120.1° |
| N2 | C2 | C3 | H2 | 119.8° | 120.1° |
| N2 | C2 | C1 | O1 | 62.2° | 58.9° |
| N2 | C2 | C1 | O5 | 178.1° | 178.9° |
| N2 | C2 | C1 | H1 | 58.0° | 61.1° |
| N2 | C2 | C3 | C4 | 174.4° | 173.5° |
| N2 | C2 | C3 | O3 | 64.4° | 66.6° |
| N2 | C2 | C3 | H3 | 55.6° | 53.9° |
| HN2 | N2 | C2 | C1 | 51.3° | 94.8° |
| HN2 | N2 | C2 | C3 | 70.3° | 24.8° |
| HN2 | N2 | C2 | H2 | 170.3° | 145.0° |
| C1 | C2 | C3 | H2 | 118.9° | 120.0° |
| C2 | C1 | O1 | O5 | 119.6° | 120.2° |
| C2 | C1 | O1 | H1 | 120.3° | 119.9° |
| C2 | C1 | O5 | H1 | 120.3° | 120.0° |
| C2 | C1 | O1 | HO1 | 117.1° | 180.0° |
| C2 | C1 | O5 | C5 | 63.3° | 67.6° |
| C1 | C2 | C3 | C4 | 53.1° | 53.6° |
| C1 | C2 | C3 | O3 | 174.3° | 173.5° |
| C1 | C2 | C3 | H3 | 65.7° | 66.0° |
| C3 | C2 | C1 | O1 | 176.9° | 178.8° |
| C3 | C2 | C1 | O5 | 57.3° | 61.2° |
| C3 | C2 | C1 | H1 | 62.9° | 58.8° |
| C2 | C3 | C4 | C5 | 53.2° | 53.6° |
| C2 | C3 | C4 | O4 | 67.4° | 66.3° |
| C2 | C3 | C4 | O3 | 119.0° | 120.1° |
| C2 | C3 | C4 | H3 | 121.0° | 119.6° |
| C2 | C3 | C4 | H4 | 172.8° | 173.5° |
| C2 | C3 | O3 | H3 | 121.0° | 120.4° |
| C2 | C3 | O3 | CAX | 145.5° | 150.7° |
| H2 | C2 | C1 | O1 | 57.5° | 61.2° |
| H2 | C2 | C1 | O5 | 62.2° | 58.8° |
| H2 | C2 | C1 | H1 | 177.7° | 178.8° |
| H2 | C2 | C3 | C4 | 65.9° | 66.4° |
| H2 | C2 | C3 | O3 | 55.4° | 53.5° |
| H2 | C2 | C3 | H3 | 175.4° | 174.0° |
| O1 | C1 | O5 | H1 | 120.2° | 119.9° |
| O1 | C1 | O5 | C5 | 177.2° | 172.4° |
| O5 | C1 | O1 | HO1 | 123.3° | 59.8° |
| C1 | O5 | C5 | C6 | 176.0° | 172.4° |
| C1 | O5 | C5 | C4 | 63.7° | 67.7° |
| C1 | O5 | C5 | H5 | 55.9° | 52.5° |
| H1 | C1 | O1 | HO1 | 3.1° | 60.1° |
| H1 | C1 | O5 | C5 | 57.0° | 52.4° |
| O5 | C5 | C6 | C4 | 119.8° | 120.2° |
| O5 | C5 | C6 | H5 | 120.6° | 119.9° |
| O5 | C5 | C4 | H5 | 120.6° | 120.1° |
| O5 | C5 | C6 | O6 | 55.8° | 65.1° |
| O5 | C5 | C6 | H61 | 64.3° | 175.0° |
| O5 | C5 | C6 | H62 | 175.8° | 55.0° |
| O5 | C5 | C4 | O4 | 62.8° | 58.7° |
| O5 | C5 | C4 | C3 | 57.9° | 61.2° |
| O5 | C5 | C4 | H4 | 177.4° | 178.9° |
| C6 | C5 | C4 | H5 | 120.1° | 119.9° |
| C5 | C6 | O6 | H61 | 120.1° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | O6 | HO6 | 145.6° | 180.0° |
| C6 | C5 | C4 | O4 | 56.5° | 61.3° |
| C6 | C5 | C4 | C3 | 177.1° | 178.8° |
| C6 | C5 | C4 | H4 | 63.4° | 58.9° |
| C4 | C5 | C6 | O6 | 175.6° | 174.7° |
| C4 | C5 | C6 | H61 | 55.5° | 54.8° |
| C4 | C5 | C6 | H62 | 64.4° | 65.3° |
| C5 | C4 | O4 | C3 | 121.0° | 119.6° |
| C5 | C4 | O4 | H4 | 119.5° | 120.2° |
| C5 | C4 | C3 | H4 | 119.5° | 119.9° |
| C5 | C4 | O4 | HO4 | 56.9° | 60.0° |
| C5 | C4 | C3 | O3 | 172.2° | 173.7° |
| C5 | C4 | C3 | H3 | 67.8° | 66.0° |
| H5 | C5 | C6 | O6 | 64.8° | 54.8° |
| H5 | C5 | C6 | H61 | 175.1° | 65.1° |
| H5 | C5 | C6 | H62 | 55.2° | 174.8° |
| H5 | C5 | C4 | O4 | 176.6° | 178.8° |
| H5 | C5 | C4 | C3 | 62.7° | 58.9° |
| H5 | C5 | C4 | H4 | 56.8° | 61.0° |
| O6 | C6 | H61 | H62 | 120.0° | 119.9° |
| H61 | C6 | O6 | HO6 | 25.6° | 60.1° |
| H62 | C6 | O6 | HO6 | 94.4° | 59.9° |
| O4 | C4 | C3 | H4 | 119.8° | 120.2° |
| O4 | C4 | C3 | O3 | 51.6° | 53.8° |
| O4 | C4 | C3 | H3 | 171.6° | 174.1° |
| C3 | C4 | O4 | HO4 | 64.1° | 179.6° |
| C4 | C3 | O3 | H3 | 118.8° | 120.3° |
| C4 | C3 | O3 | CAX | 94.3° | 90.0° |
| H4 | C4 | O4 | HO4 | 176.4° | 60.1° |
| H4 | C4 | C3 | O3 | 68.2° | 66.4° |
| H4 | C4 | C3 | H3 | 51.8° | 53.8° |
| C3 | O3 | CAX | OAM | 74.3° | 65.1° |
| C3 | O3 | CAX | CAU | 167.9° | 175.1° |
| C3 | O3 | CAX | HAX | 46.8° | 55.1° |
| H3 | C3 | O3 | CAX | 24.5° | 30.3° |
| O3 | CAX | OAM | CAU | 117.9° | 119.9° |
| O3 | CAX | OAM | HAX | 120.9° | 120.1° |
| O3 | CAX | CAU | HAX | 120.9° | 120.0° |
| O3 | CAX | OAM | CAR | 170.8° | 176.9° |
| O3 | CAX | CAU | CAS | 177.0° | 171.5° |
| O3 | CAX | CAU | OAH | 55.3° | 51.9° |
| O3 | CAX | CAU | HAU | 63.4° | 69.2° |
| OAM | CAX | CAU | HAX | 121.1° | 120.0° |
| CAX | OAM | CAR | CAQ | 160.7° | 156.1° |
| CAX | OAM | CAR | CAJ | 21.3° | 23.9° |
| OAM | CAX | CAU | CAS | 65.0° | 68.6° |
| OAM | CAX | CAU | OAH | 173.3° | 171.8° |
| OAM | CAX | CAU | HAU | 54.6° | 50.8° |
| CAU | CAX | OAM | CAR | 52.9° | 57.0° |
| CAX | CAU | CAS | CAJ | 44.1° | 42.6° |
| CAX | CAU | CAS | OAF | 164.6° | 162.3° |
| CAX | CAU | CAS | OAH | 122.4° | 119.7° |
| CAX | CAU | CAS | HAU | 118.8° | 119.3° |
| CAX | CAU | CAS | HAS | 75.6° | 77.1° |
| CAX | CAU | OAH | HAU | 118.8° | 121.0° |
| CAX | CAU | OAH | HAH | 66.7° | 178.0° |
| HAX | CAX | OAM | CAR | 68.3° | 63.0° |
| HAX | CAX | CAU | CAS | 56.0° | 51.4° |
| HAX | CAX | CAU | OAH | 65.6° | 68.2° |
| HAX | CAX | CAU | HAU | 175.7° | 170.8° |
| OAM | CAR | CAQ | CAJ | 178.1° | 180.0° |
| OAM | CAR | CAQ | OAE | 13.5° | 0.0° |
| OAM | CAR | CAQ | OAC | 166.3° | 180.0° |
| OAM | CAR | CAJ | CAS | 0.5° | 0.8° |
| OAM | CAR | CAJ | HAJ | 179.4° | 179.2° |
| CAR | CAQ | OAE | OAC | 179.8° | 180.0° |
| CAR | CAQ | OAE | HAE | 179.8° | 180.0° |
| CAQ | CAR | CAJ | CAS | 178.5° | 179.2° |
| CAQ | CAR | CAJ | HAJ | 1.4° | 0.8° |
| CAJ | CAR | CAQ | OAE | 168.4° | 180.0° |
| CAJ | CAR | CAQ | OAC | 11.8° | 0.0° |
| CAR | CAJ | CAS | HAJ | 180.0° | 180.0° |
| CAR | CAJ | CAS | OAF | 133.8° | 131.7° |
| CAR | CAJ | CAS | CAU | 13.4° | 11.9° |
| CAR | CAJ | CAS | HAS | 106.4° | 107.7° |
| OAC | CAQ | OAE | HAE | 0.0° | 0.0° |
| CAJ | CAS | OAF | CAU | 120.4° | 118.8° |
| CAJ | CAS | OAF | HAS | 119.8° | 120.6° |
| CAJ | CAS | CAU | HAS | 119.8° | 119.6° |
| CAJ | CAS | OAF | HAF | 111.4° | 60.0° |
| CAJ | CAS | CAU | OAH | 166.5° | 162.3° |
| CAJ | CAS | CAU | HAU | 74.7° | 76.7° |
| HAJ | CAJ | CAS | OAF | 46.1° | 48.3° |
| HAJ | CAJ | CAS | CAU | 166.6° | 168.1° |
| HAJ | CAJ | CAS | HAS | 73.6° | 72.3° |
| OAF | CAS | CAU | HAS | 119.8° | 120.6° |
| OAF | CAS | CAU | OAH | 73.0° | 78.0° |
| OAF | CAS | CAU | HAU | 45.8° | 43.0° |
| CAU | CAS | OAF | HAF | 128.2° | 178.8° |
| CAS | CAU | OAH | HAU | 119.6° | 121.0° |
| CAS | CAU | OAH | HAH | 54.9° | 60.0° |
| HAS | CAS | OAF | HAF | 8.4° | 60.6° |
| HAS | CAS | CAU | OAH | 46.8° | 42.6° |
| HAS | CAS | CAU | HAU | 165.5° | 163.6° |
| HAU | CAU | OAH | HAH | 174.6° | 61.0° |
