0EH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAS | sing | 1.53Å | 1.38Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CAR | CAS | sing | 1.53Å | 1.53Å | |
| CAR | CAQ | sing | 1.53Å | 1.52Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CAA | CA | sing | 1.53Å | 1.55Å | |
| CAO | CAP | sing | 1.53Å | 1.55Å | |
| CAO | CAB | sing | 1.53Å | 1.48Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CA | CAB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAR | H16 | sing | 1.09Å | 1.10Å | |
| CAR | H17 | sing | 1.09Å | 1.10Å | |
| CAS | H18 | sing | 1.09Å | 1.10Å | |
| CAS | H19 | sing | 1.09Å | 1.10Å | |
| CAT | H20 | sing | 1.09Å | 1.10Å | |
| CAT | H21 | sing | 1.09Å | 1.10Å | |
| CAT | H22 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 10.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAS | CAR | 110.2° | 109.5° |
| CAT | CAS | H18 | 109.3° | 109.5° |
| CAT | CAS | H19 | 109.3° | 109.5° |
| CAS | CAT | H20 | 109.5° | 109.5° |
| CAS | CAT | H21 | 109.5° | 109.5° |
| CAS | CAT | H22 | 109.5° | 109.5° |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 25.6° | 120.0° |
| CAS | CAR | CAQ | 109.6° | 109.5° |
| CAS | CAR | H16 | 109.4° | 109.5° |
| CAS | CAR | H17 | 109.5° | 109.5° |
| CAR | CAS | H18 | 109.3° | 109.5° |
| CAR | CAS | H19 | 109.3° | 109.5° |
| CAR | CAQ | CAP | 110.5° | 109.5° |
| CAR | CAQ | H14 | 109.2° | 109.5° |
| CAR | CAQ | H15 | 109.2° | 109.5° |
| CAQ | CAR | H16 | 109.4° | 109.5° |
| CAQ | CAR | H17 | 109.4° | 109.5° |
| C | CA | CAA | 110.3° | 109.4° |
| C | CA | CAB | 110.6° | 109.4° |
| C | CA | N | 109.1° | 109.5° |
| CA | C | OXT | 94.8° | 120.0° |
| CAA | CA | CAB | 108.8° | 109.5° |
| CAA | CA | N | 109.8° | 109.5° |
| CA | CAA | H1 | 109.5° | 109.5° |
| CA | CAA | H3 | 109.5° | 109.4° |
| CA | CAA | H4 | 109.5° | 109.5° |
| CAP | CAO | CAB | 102.9° | 109.5° |
| CAO | CAP | CAQ | 111.3° | 109.5° |
| CAP | CAO | H10 | 111.1° | 109.5° |
| CAP | CAO | H11 | 111.1° | 109.5° |
| CAO | CAP | H12 | 109.0° | 109.5° |
| CAO | CAP | H13 | 109.0° | 109.5° |
| CAO | CAB | CA | 123.4° | 109.5° |
| CAO | CAB | H5 | 105.9° | 109.4° |
| CAO | CAB | H6 | 105.9° | 109.5° |
| CAB | CAO | H10 | 111.1° | 109.5° |
| CAB | CAO | H11 | 111.1° | 109.5° |
| CAQ | CAP | H12 | 109.0° | 109.4° |
| CAQ | CAP | H13 | 109.0° | 109.4° |
| CAP | CAQ | H14 | 109.2° | 109.4° |
| CAP | CAQ | H15 | 109.2° | 109.4° |
| CAB | CA | N | 108.3° | 109.5° |
| CA | CAB | H5 | 105.9° | 109.5° |
| CA | CAB | H6 | 105.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H1 | CAA | H4 | 109.5° | 109.5° |
| H3 | CAA | H4 | 109.5° | 109.4° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H | N | H2 | 109.4° | 111.1° |
| H10 | CAO | H11 | 109.5° | 109.4° |
| H12 | CAP | H13 | 109.5° | 109.5° |
| H14 | CAQ | H15 | 109.5° | 109.5° |
| H16 | CAR | H17 | 109.5° | 109.4° |
| H18 | CAS | H19 | 109.5° | 109.4° |
| H20 | CAT | H21 | 109.5° | 109.5° |
| H20 | CAT | H22 | 109.5° | 109.5° |
| H21 | CAT | H22 | 109.4° | 109.4° |
| C | OXT | HXT | 90.0° | 116.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAS | CAR | H18 | 120.1° | 120.0° |
| CAT | CAS | CAR | H19 | 120.1° | 120.0° |
| CAT | CAS | CAR | CAQ | 134.1° | 180.0° |
| CAT | CAS | CAR | H16 | 14.1° | 60.0° |
| CAT | CAS | CAR | H17 | 105.9° | 60.0° |
| CAT | CAS | H18 | H19 | 119.7° | 120.0° |
| CAS | CAT | H20 | H21 | 120.1° | 120.0° |
| CAS | CAT | H20 | H22 | 120.0° | 120.0° |
| CAS | CAT | H21 | H22 | 120.0° | 119.9° |
| O | C | CA | OXT | 1.9° | 179.7° |
| O | C | CA | CAA | 131.2° | 95.0° |
| O | C | CA | CAB | 10.7° | 25.0° |
| O | C | CA | N | 108.3° | 145.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CAS | CAR | CAQ | H16 | 120.0° | 120.0° |
| CAS | CAR | CAQ | H17 | 120.0° | 120.0° |
| CAS | CAR | CAQ | CAP | 71.9° | 180.0° |
| CAS | CAR | CAQ | H14 | 167.9° | 60.1° |
| CAS | CAR | CAQ | H15 | 48.3° | 60.0° |
| CAS | CAR | H16 | H17 | 120.0° | 120.0° |
| CAR | CAS | H18 | H19 | 119.7° | 120.0° |
| CAR | CAS | CAT | H20 | 180.0° | 60.0° |
| CAR | CAS | CAT | H21 | 60.0° | 60.0° |
| CAR | CAS | CAT | H22 | 60.0° | 179.9° |
| CAR | CAQ | CAP | CAO | 91.5° | 180.0° |
| CAR | CAQ | CAP | H14 | 120.2° | 120.0° |
| CAR | CAQ | CAP | H15 | 120.2° | 120.0° |
| CAR | CAQ | CAP | H12 | 28.8° | 60.0° |
| CAR | CAQ | CAP | H13 | 148.2° | 60.1° |
| CAR | CAQ | H14 | H15 | 119.5° | 120.0° |
| CAQ | CAR | H16 | H17 | 119.9° | 120.0° |
| CAQ | CAR | CAS | H18 | 105.8° | 60.0° |
| CAQ | CAR | CAS | H19 | 14.0° | 60.0° |
| C | CA | CAA | CAB | 121.5° | 119.9° |
| C | CA | CAA | N | 120.2° | 120.0° |
| C | CA | CAB | CAO | 78.8° | 180.0° |
| C | CA | CAB | N | 119.4° | 120.0° |
| C | CA | CAA | H1 | 180.0° | 60.0° |
| C | CA | CAA | H3 | 60.0° | 180.0° |
| C | CA | CAA | H4 | 60.0° | 60.1° |
| C | CA | CAB | H5 | 159.3° | 60.0° |
| C | CA | CAB | H6 | 43.1° | 60.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 64.0° |
| CA | C | OXT | HXT | 90.0° | 179.7° |
| CAA | CA | CAB | CAO | 42.5° | 60.0° |
| CAA | CA | CAB | N | 119.3° | 120.0° |
| CA | CAA | H1 | H3 | 120.0° | 120.0° |
| CA | CAA | H1 | H4 | 120.0° | 120.1° |
| CA | CAA | H3 | H4 | 120.0° | 120.0° |
| CAA | CA | CAB | H5 | 79.4° | 60.0° |
| CAA | CA | CAB | H6 | 164.4° | 180.0° |
| CAA | CA | N | H | 59.1° | 180.0° |
| CAA | CA | N | H2 | 179.1° | 56.0° |
| CAA | CA | C | OXT | 133.0° | 85.3° |
| CAP | CAO | CAB | H10 | 118.9° | 120.0° |
| CAP | CAO | CAB | H11 | 118.9° | 120.0° |
| CAO | CAP | CAQ | H12 | 120.3° | 120.0° |
| CAO | CAP | CAQ | H13 | 120.3° | 119.9° |
| CAP | CAO | CAB | CA | 166.1° | 180.0° |
| CAP | CAO | CAB | H5 | 72.0° | 60.0° |
| CAP | CAO | CAB | H6 | 44.2° | 60.0° |
| CAP | CAO | H10 | H11 | 123.0° | 120.0° |
| CAO | CAP | H12 | H13 | 119.2° | 120.0° |
| CAO | CAP | CAQ | H14 | 28.7° | 60.0° |
| CAO | CAP | CAQ | H15 | 148.3° | 60.0° |
| CAB | CAO | CAP | CAQ | 165.4° | 180.0° |
| CAO | CAB | CA | H5 | 121.9° | 120.0° |
| CAO | CAB | CA | H6 | 121.9° | 120.0° |
| CAO | CAB | CA | N | 161.7° | 60.0° |
| CAO | CAB | H5 | H6 | 113.7° | 120.0° |
| CAB | CAO | H10 | H11 | 123.1° | 120.0° |
| CAB | CAO | CAP | H12 | 74.3° | 60.1° |
| CAB | CAO | CAP | H13 | 45.1° | 60.0° |
| CAQ | CAP | CAO | H10 | 75.7° | 60.0° |
| CAQ | CAP | CAO | H11 | 46.4° | 60.0° |
| CAQ | CAP | H12 | H13 | 119.2° | 119.9° |
| CAP | CAQ | H14 | H15 | 119.5° | 119.9° |
| CAP | CAQ | CAR | H16 | 48.1° | 60.0° |
| CAP | CAQ | CAR | H17 | 168.1° | 60.0° |
| CAB | CA | CAA | H1 | 58.6° | 59.9° |
| CAB | CA | CAA | H3 | 178.6° | 60.0° |
| CAB | CA | CAA | H4 | 61.5° | 180.0° |
| CA | CAB | H5 | H6 | 113.8° | 120.0° |
| CAB | CA | N | H | 59.6° | 60.0° |
| CAB | CA | N | H2 | 60.4° | 176.0° |
| CA | CAB | CAO | H10 | 47.2° | 60.0° |
| CA | CAB | CAO | H11 | 74.9° | 60.0° |
| CAB | CA | C | OXT | 12.6° | 154.7° |
| N | CA | CAA | H1 | 59.8° | 180.0° |
| N | CA | CAA | H3 | 60.2° | 60.0° |
| N | CA | CAA | H4 | 179.8° | 60.0° |
| N | CA | CAB | H5 | 39.8° | 180.0° |
| N | CA | CAB | H6 | 76.3° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 106.4° | 34.7° |
| H1 | CAA | H3 | H4 | 120.0° | 120.0° |
| H5 | CAB | CAO | H10 | 169.1° | 180.0° |
| H5 | CAB | CAO | H11 | 47.0° | 60.1° |
| H6 | CAB | CAO | H10 | 74.7° | 60.0° |
| H6 | CAB | CAO | H11 | 163.2° | 180.0° |
| H10 | CAO | CAP | H12 | 44.6° | 179.9° |
| H10 | CAO | CAP | H13 | 164.1° | 60.0° |
| H11 | CAO | CAP | H12 | 166.7° | 60.0° |
| H11 | CAO | CAP | H13 | 73.8° | 179.9° |
| H12 | CAP | CAQ | H14 | 148.9° | 180.0° |
| H12 | CAP | CAQ | H15 | 91.4° | 60.0° |
| H13 | CAP | CAQ | H14 | 91.6° | 60.0° |
| H13 | CAP | CAQ | H15 | 28.1° | 179.9° |
| H14 | CAQ | CAR | H16 | 72.1° | 179.9° |
| H14 | CAQ | CAR | H17 | 47.9° | 60.0° |
| H15 | CAQ | CAR | H16 | 168.3° | 60.0° |
| H15 | CAQ | CAR | H17 | 71.7° | 180.0° |
| H16 | CAR | CAS | H18 | 134.2° | 180.0° |
| H16 | CAR | CAS | H19 | 106.0° | 60.0° |
| H17 | CAR | CAS | H18 | 14.2° | 60.0° |
| H17 | CAR | CAS | H19 | 134.0° | 180.0° |
| H18 | CAS | CAT | H20 | 60.0° | 180.0° |
| H18 | CAS | CAT | H21 | 60.1° | 60.0° |
| H18 | CAS | CAT | H22 | 180.0° | 59.9° |
| H19 | CAS | CAT | H20 | 59.9° | 60.0° |
| H19 | CAS | CAT | H21 | 179.9° | 179.9° |
| H19 | CAS | CAT | H22 | 60.1° | 60.0° |
| H20 | CAT | H21 | H22 | 119.9° | 120.1° |
