ORW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAQ | sing | 1.51Å | 1.53Å | |
| CAP | NAO | sing | 1.47Å | 1.47Å | |
| CAV | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| NAO | CAN | sing | 1.35Å | 1.37Å | |
| O | C | doub | 1.21Å | 1.20Å | |
| CAR | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.42Å | Aromatic |
| CAD | NAC | sing | 1.46Å | 1.45Å | |
| CAN | OAW | doub | 1.22Å | 1.28Å | |
| CAN | N | sing | 1.35Å | 1.40Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| NAA | CAB | doub | 1.29Å | 1.24Å | |
| NAC | CAB | sing | 1.37Å | 1.37Å | |
| NAC | NAE | sing | 1.40Å | 1.38Å | |
| C | NAE | sing | 1.35Å | 1.37Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| NAE | CAF | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CG | CD1 | sing | 1.53Å | 1.53Å | |
| CG | CD2 | sing | 1.53Å | 1.54Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CD2 | H6 | sing | 1.09Å | 1.10Å | |
| CD2 | H7 | sing | 1.09Å | 1.10Å | |
| CD2 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.09Å | 1.10Å | |
| CD1 | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CAD | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.08Å | 1.08Å | |
| NAA | H19 | sing | 0.97Å | 1.00Å | |
| NAO | H20 | sing | 0.97Å | 1.00Å | |
| CAP | H21 | sing | 1.09Å | 1.10Å | |
| CAP | H22 | sing | 1.09Å | 1.10Å | |
| CAV | H23 | sing | 1.08Å | 1.08Å | |
| CAU | H24 | sing | 1.08Å | 1.08Å | |
| CAT | H25 | sing | 1.08Å | 1.08Å | |
| CAS | H26 | sing | 1.08Å | 1.08Å | |
| CAR | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAP | NAO | 116.3° | 109.4° |
| CAP | CAQ | CAV | 118.1° | 120.0° |
| CAP | CAQ | CAR | 122.7° | 120.0° |
| CAQ | CAP | H21 | 107.7° | 109.5° |
| CAQ | CAP | H22 | 107.7° | 109.5° |
| CAP | NAO | CAN | 124.0° | 120.0° |
| CAP | NAO | H20 | 118.1° | 120.0° |
| NAO | CAP | H21 | 107.8° | 109.4° |
| NAO | CAP | H22 | 107.8° | 109.5° |
| CAQ | CAV | CAU | 120.5° | 120.0° |
| CAV | CAQ | CAR | 119.2° | 120.0° |
| CAQ | CAV | H23 | 119.7° | 120.0° |
| CAV | CAU | CAT | 119.9° | 120.0° |
| CAU | CAV | H23 | 119.7° | 120.0° |
| CAV | CAU | H24 | 120.0° | 120.0° |
| CAQ | CAR | CAS | 121.4° | 120.0° |
| CAQ | CAR | H27 | 119.3° | 120.0° |
| CAU | CAT | CAS | 120.5° | 120.1° |
| CAT | CAU | H24 | 120.0° | 120.1° |
| CAU | CAT | H25 | 119.7° | 119.9° |
| NAO | CAN | OAW | 123.5° | 120.0° |
| NAO | CAN | N | 113.9° | 120.0° |
| CAN | NAO | H20 | 118.0° | 120.0° |
| O | C | NAE | 120.5° | 120.0° |
| O | C | CA | 120.6° | 120.0° |
| CAR | CAS | CAT | 118.4° | 120.0° |
| CAR | CAS | H26 | 120.8° | 120.0° |
| CAS | CAR | H27 | 119.3° | 120.0° |
| CAS | CAT | H25 | 119.7° | 120.0° |
| CAT | CAS | H26 | 120.8° | 120.1° |
| CAD | NAC | CAB | 125.4° | 120.0° |
| CAD | NAC | NAE | 116.2° | 120.0° |
| NAC | CAD | H15 | 109.5° | 109.5° |
| NAC | CAD | H16 | 109.4° | 109.5° |
| NAC | CAD | H17 | 109.5° | 109.5° |
| OAW | CAN | N | 122.4° | 120.0° |
| CAN | N | CA | 117.0° | 120.0° |
| CAN | N | H1 | 121.5° | 120.0° |
| N | CA | C | 109.9° | 109.5° |
| N | CA | CB | 114.7° | 109.5° |
| CA | N | H1 | 121.5° | 120.0° |
| N | CA | H2 | 109.3° | 109.4° |
| NAA | CAB | NAC | 128.0° | 120.0° |
| NAA | CAB | H18 | 116.0° | 120.0° |
| CAB | NAA | H19 | 112.0° | 120.0° |
| CAB | NAC | NAE | 118.0° | 120.0° |
| NAC | CAB | H18 | 116.0° | 120.0° |
| NAC | NAE | C | 119.5° | 120.0° |
| NAC | NAE | CAF | 113.4° | 120.0° |
| NAE | C | CA | 118.9° | 120.0° |
| C | NAE | CAF | 126.8° | 120.0° |
| C | CA | CB | 106.3° | 109.5° |
| C | CA | H2 | 108.2° | 109.5° |
| NAE | CAF | H12 | 109.5° | 109.4° |
| NAE | CAF | H13 | 109.5° | 109.4° |
| NAE | CAF | H14 | 109.5° | 109.5° |
| CA | CB | CG | 113.2° | 109.5° |
| CB | CA | H2 | 108.3° | 109.5° |
| CA | CB | H3 | 108.5° | 109.5° |
| CA | CB | H4 | 108.5° | 109.5° |
| CB | CG | CD1 | 109.7° | 109.5° |
| CB | CG | CD2 | 114.4° | 109.5° |
| CG | CB | H3 | 108.6° | 109.5° |
| CG | CB | H4 | 108.5° | 109.5° |
| CB | CG | H5 | 107.8° | 109.5° |
| CD1 | CG | CD2 | 109.0° | 109.5° |
| CD1 | CG | H5 | 107.9° | 109.4° |
| CG | CD1 | H9 | 109.5° | 109.5° |
| CG | CD1 | H10 | 109.4° | 109.5° |
| CG | CD1 | H11 | 109.4° | 109.4° |
| CD2 | CG | H5 | 107.8° | 109.5° |
| CG | CD2 | H6 | 109.5° | 109.5° |
| CG | CD2 | H7 | 109.5° | 109.5° |
| CG | CD2 | H8 | 109.5° | 109.5° |
| H3 | CB | H4 | 109.4° | 109.5° |
| H6 | CD2 | H7 | 109.5° | 109.4° |
| H6 | CD2 | H8 | 109.5° | 109.5° |
| H7 | CD2 | H8 | 109.5° | 109.5° |
| H9 | CD1 | H10 | 109.5° | 109.5° |
| H9 | CD1 | H11 | 109.5° | 109.5° |
| H10 | CD1 | H11 | 109.5° | 109.5° |
| H12 | CAF | H13 | 109.4° | 109.5° |
| H12 | CAF | H14 | 109.5° | 109.5° |
| H13 | CAF | H14 | 109.5° | 109.5° |
| H15 | CAD | H16 | 109.5° | 109.4° |
| H15 | CAD | H17 | 109.5° | 109.4° |
| H16 | CAD | H17 | 109.5° | 109.5° |
| H21 | CAP | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAP | NAO | H21 | 121.0° | 120.0° |
| CAQ | CAP | NAO | H22 | 121.0° | 120.0° |
| CAP | CAQ | CAV | CAR | 179.0° | 179.8° |
| CAP | CAQ | CAV | CAU | 179.7° | 180.0° |
| CAQ | CAP | NAO | CAN | 81.5° | 180.0° |
| CAP | CAQ | CAR | CAS | 179.3° | 179.8° |
| CAQ | CAP | NAO | H20 | 98.5° | 0.0° |
| CAQ | CAP | H21 | H22 | 116.9° | 120.0° |
| CAP | CAQ | CAV | H23 | 0.3° | 0.1° |
| CAP | CAQ | CAR | H27 | 0.7° | 0.1° |
| NAO | CAP | CAQ | CAV | 158.3° | 89.8° |
| NAO | CAP | CAQ | CAR | 20.6° | 90.0° |
| CAP | NAO | CAN | H20 | 180.0° | 180.0° |
| CAP | NAO | CAN | OAW | 5.8° | 0.0° |
| CAP | NAO | CAN | N | 169.7° | 179.7° |
| NAO | CAP | H21 | H22 | 116.9° | 120.0° |
| CAQ | CAV | CAU | H23 | 180.0° | 180.0° |
| CAQ | CAV | CAU | CAT | 0.4° | 0.0° |
| CAV | CAQ | CAR | CAS | 0.4° | 0.4° |
| CAV | CAQ | CAP | H21 | 80.7° | 150.2° |
| CAV | CAQ | CAP | H22 | 37.4° | 30.2° |
| CAQ | CAV | CAU | H24 | 179.6° | 179.9° |
| CAV | CAQ | CAR | H27 | 179.7° | 179.8° |
| CAU | CAV | CAQ | CAR | 0.7° | 0.2° |
| CAV | CAU | CAT | H24 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAS | 0.2° | 0.1° |
| CAV | CAU | CAT | H25 | 179.8° | 180.0° |
| CAQ | CAR | CAS | H27 | 180.0° | 179.8° |
| CAQ | CAR | CAS | CAT | 0.3° | 0.4° |
| CAR | CAQ | CAP | H21 | 100.4° | 29.9° |
| CAR | CAQ | CAP | H22 | 141.6° | 149.9° |
| CAR | CAQ | CAV | H23 | 179.3° | 179.8° |
| CAQ | CAR | CAS | H26 | 179.7° | 179.8° |
| CAU | CAT | CAS | CAR | 0.6° | 0.1° |
| CAU | CAT | CAS | H25 | 180.0° | 180.0° |
| CAT | CAU | CAV | H23 | 179.6° | 180.0° |
| CAU | CAT | CAS | H26 | 179.4° | 180.0° |
| NAO | CAN | OAW | N | 175.1° | 179.7° |
| NAO | CAN | N | CA | 170.9° | 179.7° |
| NAO | CAN | N | H1 | 9.1° | 0.3° |
| CAN | NAO | CAP | H21 | 157.5° | 60.0° |
| CAN | NAO | CAP | H22 | 39.5° | 60.0° |
| O | C | CA | N | 47.1° | 18.8° |
| O | C | NAE | NAC | 5.6° | 4.5° |
| O | C | NAE | CA | 179.8° | 180.0° |
| O | C | NAE | CAF | 179.0° | 175.4° |
| O | C | CA | CB | 77.5° | 101.2° |
| O | C | CA | H2 | 166.4° | 138.8° |
| CAR | CAS | CAT | H26 | 180.0° | 179.9° |
| CAR | CAS | CAT | H25 | 179.4° | 179.8° |
| CAS | CAT | CAU | H24 | 179.7° | 179.9° |
| CAT | CAS | CAR | H27 | 179.7° | 179.8° |
| CAD | NAC | CAB | NAA | 1.4° | 0.0° |
| CAD | NAC | CAB | NAE | 173.7° | 180.0° |
| CAD | NAC | NAE | C | 87.0° | 95.1° |
| CAD | NAC | NAE | CAF | 87.2° | 84.9° |
| NAC | CAD | H15 | H16 | 120.0° | 120.0° |
| NAC | CAD | H15 | H17 | 120.0° | 120.0° |
| NAC | CAD | H16 | H17 | 120.0° | 120.0° |
| CAD | NAC | CAB | H18 | 178.6° | 180.0° |
| OAW | CAN | N | CA | 4.6° | 0.0° |
| OAW | CAN | N | H1 | 175.4° | 180.0° |
| OAW | CAN | NAO | H20 | 174.2° | 180.0° |
| CAN | N | CA | H1 | 180.0° | 180.0° |
| CAN | N | CA | C | 62.5° | 155.0° |
| CAN | N | CA | CB | 177.9° | 85.0° |
| CAN | N | CA | H2 | 56.1° | 35.0° |
| N | CAN | NAO | H20 | 10.3° | 0.3° |
| N | CA | C | NAE | 133.1° | 161.2° |
| N | CA | C | CB | 124.6° | 120.0° |
| N | CA | C | H2 | 119.2° | 119.9° |
| N | CA | CB | H2 | 122.3° | 119.9° |
| N | CA | CB | CG | 74.5° | 66.3° |
| N | CA | CB | H3 | 46.1° | 53.7° |
| N | CA | CB | H4 | 164.9° | 173.6° |
| NAA | CAB | NAC | H18 | 180.0° | 180.0° |
| NAA | CAB | NAC | NAE | 172.3° | 180.0° |
| CAB | NAC | NAE | C | 98.7° | 84.9° |
| CAB | NAC | NAE | CAF | 87.0° | 95.1° |
| CAB | NAC | CAD | H15 | 180.0° | 90.0° |
| CAB | NAC | CAD | H16 | 60.0° | 150.0° |
| CAB | NAC | CAD | H17 | 60.0° | 30.0° |
| NAC | CAB | NAA | H19 | 180.0° | 180.0° |
| NAC | NAE | C | CAF | 173.4° | 180.0° |
| NAC | NAE | C | CA | 174.6° | 175.5° |
| NAC | NAE | CAF | H12 | 180.0° | 89.9° |
| NAC | NAE | CAF | H13 | 60.0° | 30.0° |
| NAC | NAE | CAF | H14 | 60.0° | 150.0° |
| NAE | NAC | CAD | H15 | 6.2° | 90.0° |
| NAE | NAC | CAD | H16 | 113.8° | 30.0° |
| NAE | NAC | CAD | H17 | 126.2° | 150.0° |
| NAE | NAC | CAB | H18 | 7.7° | 0.0° |
| NAE | C | CA | CB | 102.2° | 78.8° |
| NAE | C | CA | H2 | 13.9° | 41.2° |
| C | NAE | CAF | H12 | 6.3° | 90.0° |
| C | NAE | CAF | H13 | 126.3° | 150.0° |
| C | NAE | CAF | H14 | 113.7° | 30.0° |
| CA | C | NAE | CAF | 1.3° | 4.6° |
| C | CA | CB | H2 | 116.1° | 120.0° |
| C | CA | CB | CG | 163.9° | 173.6° |
| C | CA | N | H1 | 117.5° | 25.0° |
| C | CA | CB | H3 | 75.5° | 66.4° |
| C | CA | CB | H4 | 43.3° | 53.6° |
| NAE | CAF | H12 | H13 | 120.0° | 119.9° |
| NAE | CAF | H12 | H14 | 120.0° | 120.0° |
| NAE | CAF | H13 | H14 | 120.0° | 120.0° |
| CA | CB | CG | H3 | 120.6° | 120.0° |
| CA | CB | CG | H4 | 120.6° | 120.0° |
| CA | CB | CG | CD1 | 172.7° | 65.0° |
| CA | CB | CG | CD2 | 64.5° | 175.0° |
| CB | CA | N | H1 | 2.1° | 95.0° |
| CA | CB | H3 | H4 | 118.3° | 120.0° |
| CA | CB | CG | H5 | 55.4° | 55.0° |
| CB | CG | CD1 | CD2 | 126.0° | 120.0° |
| CB | CG | CD1 | H5 | 117.2° | 120.0° |
| CB | CG | CD2 | H5 | 119.9° | 120.0° |
| CG | CB | CA | H2 | 47.8° | 53.6° |
| CG | CB | H3 | H4 | 118.3° | 120.0° |
| CB | CG | CD2 | H6 | 180.0° | 60.0° |
| CB | CG | CD2 | H7 | 60.0° | 180.0° |
| CB | CG | CD2 | H8 | 60.0° | 60.0° |
| CB | CG | CD1 | H9 | 180.0° | 60.0° |
| CB | CG | CD1 | H10 | 60.0° | 180.0° |
| CB | CG | CD1 | H11 | 60.0° | 60.0° |
| CD1 | CG | CD2 | H5 | 116.9° | 120.0° |
| CD1 | CG | CB | H3 | 52.1° | 175.0° |
| CD1 | CG | CB | H4 | 66.8° | 55.0° |
| CD1 | CG | CD2 | H6 | 56.8° | 60.0° |
| CD1 | CG | CD2 | H7 | 63.2° | 60.0° |
| CD1 | CG | CD2 | H8 | 176.8° | 180.0° |
| CG | CD1 | H9 | H10 | 120.0° | 120.0° |
| CG | CD1 | H9 | H11 | 120.0° | 120.0° |
| CG | CD1 | H10 | H11 | 120.0° | 120.0° |
| CD2 | CG | CB | H3 | 174.9° | 55.0° |
| CD2 | CG | CB | H4 | 56.0° | 65.0° |
| CG | CD2 | H6 | H7 | 120.0° | 120.0° |
| CG | CD2 | H6 | H8 | 120.0° | 120.0° |
| CG | CD2 | H7 | H8 | 120.0° | 120.1° |
| CD2 | CG | CD1 | H9 | 54.0° | 180.0° |
| CD2 | CG | CD1 | H10 | 174.1° | 60.0° |
| CD2 | CG | CD1 | H11 | 66.0° | 60.0° |
| H1 | N | CA | H2 | 123.9° | 145.0° |
| H2 | CA | CB | H3 | 168.4° | 173.6° |
| H2 | CA | CB | H4 | 72.8° | 66.4° |
| H3 | CB | CG | H5 | 65.2° | 65.0° |
| H4 | CB | CG | H5 | 176.0° | 175.0° |
| H5 | CG | CD2 | H6 | 60.1° | 180.0° |
| H5 | CG | CD2 | H7 | 179.9° | 60.0° |
| H5 | CG | CD2 | H8 | 59.9° | 60.0° |
| H5 | CG | CD1 | H9 | 62.8° | 60.0° |
| H5 | CG | CD1 | H10 | 57.2° | 60.0° |
| H5 | CG | CD1 | H11 | 177.2° | 180.0° |
| H6 | CD2 | H7 | H8 | 120.0° | 120.0° |
| H9 | CD1 | H10 | H11 | 120.0° | 120.0° |
| H12 | CAF | H13 | H14 | 120.0° | 120.1° |
| H15 | CAD | H16 | H17 | 120.0° | 120.0° |
| H18 | CAB | NAA | H19 | 0.0° | 0.0° |
| H20 | NAO | CAP | H21 | 22.5° | 120.0° |
| H20 | NAO | CAP | H22 | 140.5° | 120.0° |
| H23 | CAV | CAU | H24 | 0.4° | 0.0° |
| H24 | CAU | CAT | H25 | 0.3° | 0.1° |
| H25 | CAT | CAS | H26 | 0.6° | 0.0° |
| H26 | CAS | CAR | H27 | 0.3° | 0.1° |
