UM0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.47Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| N2 | CBC | sing | 1.35Å | 1.32Å | |
| CBC | CBE | sing | 1.51Å | 1.56Å | |
| CBC | OBD | doub | 1.21Å | 1.24Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| O3 | CBN | sing | 1.43Å | 1.52Å | |
| CBN | CBQ | sing | 1.53Å | 1.56Å | |
| CBN | CBO | sing | 1.51Å | 1.51Å | |
| CBO | OBP | doub | 1.21Å | 1.27Å | |
| CBO | N | sing | 1.35Å | 1.33Å | |
| N | CBA | sing | 1.46Å | 1.46Å | |
| CBA | CBB | sing | 1.53Å | 1.56Å | |
| CBA | C | sing | 1.51Å | 1.48Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CBE | HBE | sing | 1.09Å | 1.10Å | |
| CBE | HBEA | sing | 1.09Å | 1.10Å | |
| CBE | HBEB | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| CBN | HBN | sing | 1.09Å | 1.10Å | |
| CBQ | HBQ | sing | 1.09Å | 1.10Å | |
| CBQ | HBQA | sing | 1.09Å | 1.10Å | |
| CBQ | HBQB | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| CBB | HBBA | sing | 1.09Å | 1.10Å | |
| CBB | HBBB | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 113.9° | 109.5° |
| O1 | C1 | O5 | 104.1° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | O5 | 106.6° | 109.4° |
| C1 | C2 | N2 | 102.4° | 109.5° |
| C1 | C2 | C3 | 110.3° | 109.1° |
| C2 | C1 | H1 | 106.9° | 109.5° |
| C1 | C2 | H2 | 113.9° | 109.5° |
| C1 | O5 | C5 | 110.7° | 114.1° |
| O5 | C1 | H1 | 116.2° | 109.4° |
| N2 | C2 | C3 | 110.6° | 109.5° |
| C2 | N2 | CBC | 123.3° | 120.0° |
| N2 | C2 | H2 | 113.7° | 109.5° |
| C2 | N2 | HN2 | 118.4° | 120.0° |
| C2 | C3 | C4 | 105.5° | 109.0° |
| C2 | C3 | O3 | 113.2° | 109.5° |
| C3 | C2 | H2 | 106.1° | 109.6° |
| C2 | C3 | H3 | 109.9° | 109.5° |
| N2 | CBC | CBE | 114.0° | 120.0° |
| N2 | CBC | OBD | 122.3° | 120.0° |
| CBC | N2 | HN2 | 118.3° | 120.0° |
| CBE | CBC | OBD | 123.3° | 120.0° |
| CBC | CBE | HBE | 109.5° | 109.5° |
| CBC | CBE | HBEA | 109.4° | 109.5° |
| CBC | CBE | HBEB | 109.5° | 109.5° |
| O5 | C5 | C6 | 105.4° | 109.5° |
| O5 | C5 | C4 | 112.3° | 109.4° |
| O5 | C5 | H5 | 111.5° | 109.5° |
| C6 | C5 | C4 | 112.8° | 109.5° |
| C5 | C6 | O6 | 111.5° | 109.4° |
| C6 | C5 | H5 | 111.0° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C5 | C6 | H6A | 108.8° | 109.4° |
| C5 | C4 | O4 | 108.4° | 109.6° |
| C5 | C4 | C3 | 111.0° | 109.2° |
| C4 | C5 | H5 | 103.9° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| O6 | C6 | H6 | 108.8° | 109.5° |
| O6 | C6 | H6A | 108.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| O4 | C4 | C3 | 109.0° | 109.5° |
| O4 | C4 | H4 | 111.0° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C3 | O3 | 110.1° | 109.6° |
| C3 | C4 | H4 | 108.5° | 109.6° |
| C4 | C3 | H3 | 113.0° | 109.6° |
| C3 | O3 | CBN | 115.9° | 114.0° |
| O3 | C3 | H3 | 105.3° | 109.6° |
| O3 | CBN | CBQ | 105.5° | 109.5° |
| O3 | CBN | CBO | 106.5° | 109.5° |
| O3 | CBN | HBN | 113.5° | 109.5° |
| CBQ | CBN | CBO | 108.6° | 109.5° |
| CBQ | CBN | HBN | 111.6° | 109.5° |
| CBN | CBQ | HBQ | 109.5° | 109.5° |
| CBN | CBQ | HBQA | 109.5° | 109.5° |
| CBN | CBQ | HBQB | 109.4° | 109.5° |
| CBN | CBO | OBP | 119.1° | 120.0° |
| CBN | CBO | N | 116.6° | 120.0° |
| CBO | CBN | HBN | 110.7° | 109.5° |
| OBP | CBO | N | 123.8° | 120.0° |
| CBO | N | CBA | 118.2° | 120.0° |
| CBO | N | HN | 120.9° | 120.0° |
| N | CBA | CBB | 106.0° | 109.5° |
| N | CBA | C | 112.7° | 109.5° |
| CBA | N | HN | 120.9° | 120.0° |
| N | CBA | HBA | 110.8° | 109.5° |
| CBB | CBA | C | 112.7° | 109.5° |
| CBB | CBA | HBA | 110.9° | 109.4° |
| CBA | CBB | HBB | 109.5° | 109.5° |
| CBA | CBB | HBBA | 109.4° | 109.5° |
| CBA | CBB | HBBB | 109.5° | 109.5° |
| CBA | C | O | 119.3° | 120.0° |
| CBA | C | OXT | 120.5° | 120.0° |
| C | CBA | HBA | 103.9° | 109.4° |
| O | C | OXT | 120.0° | 120.0° |
| C | OXT | HOXT | 109.5° | 117.1° |
| HBE | CBE | HBEA | 109.5° | 109.5° |
| HBE | CBE | HBEB | 109.4° | 109.5° |
| HBEA | CBE | HBEB | 109.5° | 109.5° |
| H6 | C6 | H6A | 110.1° | 109.5° |
| HBQ | CBQ | HBQA | 109.4° | 109.5° |
| HBQ | CBQ | HBQB | 109.5° | 109.4° |
| HBQA | CBQ | HBQB | 109.5° | 109.5° |
| HBB | CBB | HBBA | 109.5° | 109.5° |
| HBB | CBB | HBBB | 109.4° | 109.5° |
| HBBA | CBB | HBBB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 114.2° | 120.0° |
| O1 | C1 | C2 | H1 | 120.8° | 120.0° |
| O1 | C1 | O5 | H1 | 120.3° | 120.0° |
| O1 | C1 | C2 | N2 | 68.4° | 57.5° |
| O1 | C1 | C2 | C3 | 49.3° | 62.4° |
| O1 | C1 | O5 | C5 | 58.5° | 58.8° |
| O1 | C1 | C2 | H2 | 168.5° | 177.6° |
| C2 | C1 | O5 | H1 | 119.1° | 120.0° |
| C1 | C2 | N2 | C3 | 117.5° | 119.7° |
| C1 | C2 | N2 | H2 | 123.2° | 120.1° |
| C1 | C2 | C3 | H2 | 123.8° | 120.0° |
| C1 | C2 | N2 | CBC | 130.7° | 86.7° |
| C2 | C1 | O5 | C5 | 62.2° | 61.2° |
| C1 | C2 | C3 | C4 | 61.4° | 57.0° |
| C1 | C2 | C3 | O3 | 178.1° | 176.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C1 | C2 | N2 | HN2 | 49.3° | 93.3° |
| C1 | C2 | C3 | H3 | 60.7° | 62.9° |
| O5 | C1 | C2 | N2 | 177.4° | 177.5° |
| O5 | C1 | C2 | C3 | 64.9° | 57.6° |
| C1 | O5 | C5 | C6 | 177.4° | 178.8° |
| C1 | O5 | C5 | C4 | 59.4° | 61.2° |
| O5 | C1 | O1 | HO1 | 64.3° | 60.0° |
| O5 | C1 | C2 | H2 | 54.3° | 62.4° |
| C1 | O5 | C5 | H5 | 56.9° | 58.8° |
| N2 | C2 | C3 | H2 | 123.7° | 120.2° |
| C2 | N2 | CBC | HN2 | 180.0° | 180.0° |
| C2 | N2 | CBC | CBE | 171.5° | 180.0° |
| C2 | N2 | CBC | OBD | 1.8° | 0.0° |
| N2 | C2 | C3 | C4 | 174.0° | 176.9° |
| N2 | C2 | C3 | O3 | 65.6° | 63.2° |
| N2 | C2 | C1 | H1 | 52.4° | 62.5° |
| N2 | C2 | C3 | H3 | 51.8° | 57.0° |
| C3 | C2 | N2 | CBC | 111.8° | 153.6° |
| C2 | C3 | C4 | C5 | 55.5° | 57.0° |
| C2 | C3 | C4 | O4 | 174.8° | 176.9° |
| C2 | C3 | C4 | O3 | 122.5° | 119.9° |
| C2 | C3 | C4 | H3 | 120.1° | 119.9° |
| C2 | C3 | O3 | H3 | 120.0° | 120.2° |
| C2 | C3 | O3 | CBN | 102.8° | 100.0° |
| C3 | C2 | C1 | H1 | 170.1° | 177.6° |
| C3 | C2 | N2 | HN2 | 68.3° | 26.4° |
| C2 | C3 | C4 | H4 | 64.2° | 63.0° |
| N2 | CBC | CBE | OBD | 173.3° | 179.9° |
| CBC | N2 | C2 | H2 | 7.5° | 33.4° |
| N2 | CBC | CBE | HBE | 173.2° | 90.0° |
| N2 | CBC | CBE | HBEA | 66.7° | 150.0° |
| N2 | CBC | CBE | HBEB | 53.3° | 30.0° |
| CBE | CBC | N2 | HN2 | 8.5° | 0.0° |
| CBC | CBE | HBE | HBEA | 120.0° | 120.0° |
| CBC | CBE | HBE | HBEB | 120.0° | 120.0° |
| CBC | CBE | HBEA | HBEB | 120.0° | 120.0° |
| OBD | CBC | N2 | HN2 | 178.2° | 179.9° |
| OBD | CBC | CBE | HBE | 0.0° | 90.0° |
| OBD | CBC | CBE | HBEA | 120.0° | 29.9° |
| OBD | CBC | CBE | HBEB | 120.0° | 150.0° |
| O5 | C5 | C6 | C4 | 122.9° | 120.0° |
| O5 | C5 | C6 | H5 | 120.9° | 120.1° |
| O5 | C5 | C4 | H5 | 120.7° | 120.0° |
| O5 | C5 | C6 | O6 | 70.7° | 65.0° |
| O5 | C5 | C4 | O4 | 176.2° | 177.5° |
| O5 | C5 | C4 | C3 | 56.6° | 57.6° |
| C5 | O5 | C1 | H1 | 178.8° | 178.8° |
| O5 | C5 | C6 | H6 | 49.3° | 175.0° |
| O5 | C5 | C6 | H6A | 169.3° | 55.0° |
| O5 | C5 | C4 | H4 | 62.9° | 62.4° |
| C6 | C5 | C4 | H5 | 120.3° | 120.0° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.0° |
| C6 | C5 | C4 | O4 | 64.8° | 62.4° |
| C6 | C5 | C4 | C3 | 175.6° | 177.6° |
| C5 | C6 | H6 | H6A | 119.2° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 56.1° | 57.7° |
| C4 | C5 | C6 | O6 | 52.2° | 175.0° |
| C5 | C4 | O4 | C3 | 120.8° | 119.7° |
| C5 | C4 | O4 | H4 | 119.7° | 120.1° |
| C5 | C4 | C3 | H4 | 119.8° | 119.9° |
| C5 | C4 | C3 | O3 | 178.0° | 176.8° |
| C4 | C5 | C6 | H6 | 172.2° | 55.0° |
| C4 | C5 | C6 | H6A | 67.8° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C5 | C4 | C3 | H3 | 64.6° | 62.9° |
| O6 | C6 | C5 | H5 | 168.4° | 55.0° |
| O6 | C6 | H6 | H6A | 119.2° | 120.1° |
| O4 | C4 | C3 | H4 | 121.0° | 120.1° |
| O4 | C4 | C3 | O3 | 62.7° | 63.2° |
| O4 | C4 | C5 | H5 | 55.5° | 57.5° |
| O4 | C4 | C3 | H3 | 54.7° | 57.0° |
| C4 | C3 | O3 | H3 | 122.1° | 120.3° |
| C4 | C3 | O3 | CBN | 139.3° | 140.5° |
| C4 | C3 | C2 | H2 | 62.3° | 63.0° |
| C3 | C4 | C5 | H5 | 64.1° | 62.4° |
| C3 | C4 | O4 | HO4 | 59.2° | 179.7° |
| C3 | O3 | CBN | CBQ | 125.5° | 88.6° |
| C3 | O3 | CBN | CBO | 119.2° | 151.4° |
| O3 | C3 | C2 | H2 | 58.1° | 56.9° |
| O3 | C3 | C4 | H4 | 58.2° | 56.9° |
| C3 | O3 | CBN | HBN | 3.0° | 31.4° |
| O3 | CBN | CBQ | CBO | 113.9° | 120.0° |
| O3 | CBN | CBQ | HBN | 123.8° | 120.0° |
| O3 | CBN | CBO | HBN | 123.8° | 120.0° |
| O3 | CBN | CBO | OBP | 122.4° | 5.0° |
| O3 | CBN | CBO | N | 49.7° | 175.1° |
| CBN | O3 | C3 | H3 | 17.2° | 20.2° |
| O3 | CBN | CBQ | HBQ | 180.0° | 55.3° |
| O3 | CBN | CBQ | HBQA | 60.0° | 175.3° |
| O3 | CBN | CBQ | HBQB | 60.0° | 64.7° |
| CBQ | CBN | CBO | HBN | 122.9° | 120.0° |
| CBQ | CBN | CBO | OBP | 124.3° | 115.0° |
| CBQ | CBN | CBO | N | 63.5° | 64.9° |
| CBN | CBQ | HBQ | HBQA | 120.0° | 120.0° |
| CBN | CBQ | HBQ | HBQB | 120.0° | 120.0° |
| CBN | CBQ | HBQA | HBQB | 120.0° | 120.0° |
| CBN | CBO | OBP | N | 171.6° | 179.9° |
| CBN | CBO | N | CBA | 174.4° | 180.0° |
| CBO | CBN | CBQ | HBQ | 66.1° | 175.3° |
| CBO | CBN | CBQ | HBQA | 53.9° | 64.7° |
| CBO | CBN | CBQ | HBQB | 173.9° | 55.4° |
| CBN | CBO | N | HN | 5.6° | 0.1° |
| OBP | CBO | N | CBA | 2.6° | 0.1° |
| OBP | CBO | CBN | HBN | 1.4° | 125.1° |
| OBP | CBO | N | HN | 177.3° | 180.0° |
| CBO | N | CBA | HN | 180.0° | 179.9° |
| CBO | N | CBA | CBB | 154.5° | 85.1° |
| CBO | N | CBA | C | 81.9° | 155.0° |
| N | CBO | CBN | HBN | 173.6° | 55.0° |
| CBO | N | CBA | HBA | 34.1° | 34.9° |
| N | CBA | CBB | C | 123.7° | 120.0° |
| N | CBA | CBB | HBA | 120.3° | 120.0° |
| N | CBA | C | HBA | 120.0° | 120.1° |
| N | CBA | C | O | 178.6° | 0.0° |
| N | CBA | C | OXT | 7.0° | 180.0° |
| N | CBA | CBB | HBB | 180.0° | 60.0° |
| N | CBA | CBB | HBBA | 60.0° | 180.0° |
| N | CBA | CBB | HBBB | 60.0° | 60.0° |
| CBB | CBA | C | HBA | 120.1° | 120.0° |
| CBB | CBA | C | O | 61.5° | 120.0° |
| CBB | CBA | C | OXT | 112.9° | 60.0° |
| CBB | CBA | N | HN | 25.5° | 95.0° |
| CBA | CBB | HBB | HBBA | 120.0° | 120.0° |
| CBA | CBB | HBB | HBBB | 120.0° | 120.0° |
| CBA | CBB | HBBA | HBBB | 120.0° | 120.0° |
| CBA | C | O | OXT | 174.4° | 180.0° |
| C | CBA | N | HN | 98.2° | 25.0° |
| C | CBA | CBB | HBB | 56.3° | 60.0° |
| C | CBA | CBB | HBBA | 176.3° | 60.0° |
| C | CBA | CBB | HBBB | 63.7° | 180.0° |
| CBA | C | OXT | HOXT | 174.4° | 180.0° |
| O | C | CBA | HBA | 58.5° | 120.1° |
| O | C | OXT | HOXT | 0.0° | 0.0° |
| OXT | C | CBA | HBA | 127.0° | 60.0° |
| HO1 | O1 | C1 | H1 | 60.5° | 60.0° |
| H1 | C1 | C2 | H2 | 70.7° | 57.6° |
| H2 | C2 | N2 | HN2 | 172.5° | 146.6° |
| H2 | C2 | C3 | H3 | 175.5° | 177.1° |
| HBE | CBE | HBEA | HBEB | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 71.6° | 65.0° |
| H5 | C5 | C6 | H6A | 48.4° | 175.1° |
| H5 | C5 | C4 | H4 | 176.4° | 177.6° |
| H6 | C6 | O6 | HO6 | 60.0° | 60.0° |
| H6A | C6 | O6 | HO6 | 60.0° | 60.0° |
| H4 | C4 | O4 | HO4 | 60.2° | 60.1° |
| H4 | C4 | C3 | H3 | 175.7° | 177.2° |
| HBN | CBN | CBQ | HBQ | 56.3° | 64.7° |
| HBN | CBN | CBQ | HBQA | 176.3° | 55.3° |
| HBN | CBN | CBQ | HBQB | 63.8° | 175.3° |
| HBQ | CBQ | HBQA | HBQB | 120.0° | 120.0° |
| HN | N | CBA | HBA | 145.8° | 145.0° |
| HBA | CBA | CBB | HBB | 59.7° | 179.9° |
| HBA | CBA | CBB | HBBA | 60.3° | 59.9° |
| HBA | CBA | CBB | HBBB | 179.7° | 60.0° |
| HBB | CBB | HBBA | HBBB | 120.0° | 120.0° |
