2H9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.27Å | |
| OE1 | CD | doub | 1.21Å | 1.26Å | |
| CD | OE2 | sing | 1.34Å | 1.26Å | |
| CD | CG | sing | 1.51Å | 1.55Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.58Å | |
| CA | N | sing | 1.47Å | 1.51Å | |
| CAL | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAL | CAN | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAN | CAY | doub | 1.40Å | 1.40Å | Aromatic |
| OAE | PBB | doub | 1.48Å | 1.55Å | |
| N | PBB | sing | 1.68Å | 1.66Å | |
| CAK | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| CAY | CAX | sing | 1.48Å | 1.53Å | |
| CAQ | OAT | sing | 1.43Å | 1.45Å | |
| CAQ | CBA | sing | 1.53Å | 1.55Å | |
| PBB | OAT | sing | 1.61Å | 1.54Å | |
| PBB | OAI | sing | 1.61Å | 1.48Å | |
| NAR | CAX | sing | 1.35Å | 1.33Å | |
| NAR | CBA | sing | 1.47Å | 1.48Å | |
| CAX | OAD | doub | 1.22Å | 1.23Å | |
| CBA | CAW | sing | 1.51Å | 1.56Å | |
| CAW | OAH | doub | 1.21Å | 1.25Å | |
| CAW | OAC | sing | 1.34Å | 1.25Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| NAR | H6 | sing | 0.97Å | 1.00Å | |
| CBA | H7 | sing | 1.09Å | 1.10Å | |
| OAC | H8 | sing | 0.97Å | 0.95Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| OAI | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| OXT | H14 | sing | 0.97Å | 0.95Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CG | H18 | sing | 1.09Å | 1.10Å | |
| OE2 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 127.4° | 120.0° |
| O | C | CA | 114.9° | 120.0° |
| OE1 | CD | OE2 | 123.8° | 120.0° |
| OE1 | CD | CG | 119.5° | 120.0° |
| OE2 | CD | CG | 116.6° | 120.0° |
| CD | OE2 | H19 | 109.5° | 117.0° |
| CD | CG | CB | 113.8° | 109.5° |
| CD | CG | H17 | 108.4° | 109.4° |
| CD | CG | H18 | 108.3° | 109.4° |
| OXT | C | CA | 117.7° | 120.0° |
| C | OXT | H14 | 109.5° | 117.0° |
| C | CA | CB | 107.2° | 109.5° |
| C | CA | N | 113.5° | 109.4° |
| C | CA | H13 | 108.2° | 109.4° |
| CG | CB | CA | 110.2° | 109.5° |
| CG | CB | H15 | 109.3° | 109.5° |
| CG | CB | H16 | 109.3° | 109.4° |
| CB | CG | H17 | 108.3° | 109.5° |
| CB | CG | H18 | 108.4° | 109.5° |
| CB | CA | N | 111.2° | 109.5° |
| CB | CA | H13 | 107.9° | 109.5° |
| CA | CB | H15 | 109.3° | 109.5° |
| CA | CB | H16 | 109.3° | 109.5° |
| CA | N | PBB | 112.4° | 111.0° |
| CA | N | H12 | 108.7° | 111.1° |
| N | CA | H13 | 108.7° | 109.5° |
| CAJ | CAL | CAN | 118.3° | 120.2° |
| CAL | CAJ | CAK | 122.0° | 120.3° |
| CAL | CAJ | H3 | 119.0° | 119.9° |
| CAJ | CAL | H4 | 120.9° | 119.9° |
| CAL | CAN | CAY | 119.6° | 119.8° |
| CAN | CAL | H4 | 120.9° | 119.9° |
| CAL | CAN | H5 | 120.2° | 120.1° |
| CAJ | CAK | CAM | 120.1° | 120.2° |
| CAJ | CAK | H2 | 120.0° | 119.9° |
| CAK | CAJ | H3 | 119.0° | 119.9° |
| CAN | CAY | CAM | 122.4° | 119.7° |
| CAN | CAY | CAX | 120.2° | 120.1° |
| CAY | CAN | H5 | 120.2° | 120.1° |
| OAE | PBB | N | 111.4° | 109.5° |
| OAE | PBB | OAT | 110.7° | 109.5° |
| OAE | PBB | OAI | 110.4° | 109.5° |
| N | PBB | OAT | 107.4° | 109.5° |
| N | PBB | OAI | 110.5° | 109.4° |
| PBB | N | H12 | 108.8° | 111.0° |
| CAK | CAM | CAY | 117.7° | 119.9° |
| CAK | CAM | H1 | 121.1° | 120.1° |
| CAM | CAK | H2 | 120.0° | 120.0° |
| CAM | CAY | CAX | 117.4° | 120.2° |
| CAY | CAM | H1 | 121.2° | 120.1° |
| CAY | CAX | NAR | 116.3° | 120.0° |
| CAY | CAX | OAD | 119.5° | 120.0° |
| OAT | CAQ | CBA | 102.7° | 109.4° |
| CAQ | OAT | PBB | 121.1° | 123.0° |
| OAT | CAQ | H9 | 111.2° | 109.5° |
| OAT | CAQ | H10 | 111.2° | 109.5° |
| CAQ | CBA | NAR | 109.6° | 109.5° |
| CAQ | CBA | CAW | 107.8° | 109.5° |
| CAQ | CBA | H7 | 107.4° | 109.4° |
| CBA | CAQ | H9 | 111.1° | 109.5° |
| CBA | CAQ | H10 | 111.1° | 109.5° |
| OAT | PBB | OAI | 106.4° | 109.5° |
| PBB | OAI | H11 | 109.5° | 114.1° |
| CAX | NAR | CBA | 121.4° | 120.1° |
| NAR | CAX | OAD | 124.2° | 120.0° |
| CAX | NAR | H6 | 119.3° | 120.0° |
| NAR | CBA | CAW | 116.2° | 109.4° |
| CBA | NAR | H6 | 119.3° | 119.9° |
| NAR | CBA | H7 | 108.2° | 109.4° |
| CBA | CAW | OAH | 115.9° | 120.0° |
| CBA | CAW | OAC | 117.4° | 119.9° |
| CAW | CBA | H7 | 107.3° | 109.5° |
| OAH | CAW | OAC | 126.7° | 120.0° |
| CAW | OAC | H8 | 109.5° | 116.9° |
| H9 | CAQ | H10 | 109.4° | 109.5° |
| H15 | CB | H16 | 109.5° | 109.4° |
| H17 | CG | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 178.2° | 179.9° |
| O | C | CA | CB | 77.7° | 119.9° |
| O | C | CA | N | 159.2° | 0.1° |
| O | C | CA | H13 | 38.4° | 120.0° |
| O | C | OXT | H14 | 0.0° | 0.1° |
| OE1 | CD | OE2 | CG | 175.4° | 180.0° |
| OE1 | CD | CG | CB | 20.9° | 0.0° |
| OE1 | CD | CG | H17 | 99.7° | 120.0° |
| OE1 | CD | CG | H18 | 141.5° | 120.0° |
| OE1 | CD | OE2 | H19 | 0.0° | 0.0° |
| OE2 | CD | CG | CB | 163.5° | 180.0° |
| OE2 | CD | CG | H17 | 75.9° | 60.0° |
| OE2 | CD | CG | H18 | 42.8° | 60.0° |
| CD | CG | CB | H17 | 120.6° | 120.0° |
| CD | CG | CB | H18 | 120.6° | 120.0° |
| CD | CG | CB | CA | 170.6° | 180.0° |
| CD | CG | CB | H15 | 69.3° | 60.0° |
| CD | CG | CB | H16 | 50.5° | 60.0° |
| CD | CG | H17 | H18 | 118.0° | 120.0° |
| CG | CD | OE2 | H19 | 175.4° | 180.0° |
| OXT | C | CA | CB | 100.7° | 60.0° |
| OXT | C | CA | N | 22.4° | 180.0° |
| OXT | C | CA | H13 | 143.2° | 60.1° |
| C | CA | CB | CG | 69.5° | 175.0° |
| C | CA | CB | N | 124.6° | 120.0° |
| C | CA | CB | H13 | 116.3° | 120.0° |
| C | CA | N | H13 | 120.5° | 119.9° |
| C | CA | N | PBB | 75.0° | 95.0° |
| C | CA | N | H12 | 45.4° | 29.0° |
| CA | C | OXT | H14 | 178.2° | 180.0° |
| C | CA | CB | H15 | 170.4° | 65.0° |
| C | CA | CB | H16 | 50.6° | 55.0° |
| CG | CB | CA | H15 | 120.1° | 120.0° |
| CG | CB | CA | H16 | 120.1° | 120.0° |
| CG | CB | CA | N | 55.1° | 65.0° |
| CG | CB | CA | H13 | 174.2° | 55.0° |
| CG | CB | H15 | H16 | 119.7° | 119.9° |
| CB | CG | H17 | H18 | 118.0° | 120.0° |
| CB | CA | N | H13 | 118.6° | 120.1° |
| CB | CA | N | PBB | 164.1° | 145.0° |
| CB | CA | N | H12 | 75.5° | 91.1° |
| CA | CB | H15 | H16 | 119.6° | 120.0° |
| CA | CB | CG | H17 | 49.9° | 60.0° |
| CA | CB | CG | H18 | 68.8° | 60.0° |
| CA | N | PBB | OAE | 19.2° | 180.0° |
| CA | N | PBB | H12 | 120.4° | 124.0° |
| CA | N | PBB | OAT | 140.5° | 59.9° |
| CA | N | PBB | OAI | 103.9° | 60.0° |
| N | CA | CB | H15 | 65.1° | 55.0° |
| N | CA | CB | H16 | 175.2° | 175.0° |
| CAJ | CAL | CAN | H4 | 180.0° | 180.0° |
| CAL | CAJ | CAK | H3 | 180.0° | 179.9° |
| CAJ | CAL | CAN | CAY | 0.7° | 0.3° |
| CAL | CAJ | CAK | CAM | 0.4° | 0.0° |
| CAL | CAJ | CAK | H2 | 179.5° | 180.0° |
| CAJ | CAL | CAN | H5 | 179.3° | 180.0° |
| CAN | CAL | CAJ | CAK | 0.3° | 0.0° |
| CAL | CAN | CAY | H5 | 180.0° | 179.7° |
| CAL | CAN | CAY | CAM | 0.5° | 0.6° |
| CAL | CAN | CAY | CAX | 178.9° | 180.0° |
| CAN | CAL | CAJ | H3 | 179.7° | 179.9° |
| CAJ | CAK | CAM | H2 | 180.0° | 180.0° |
| CAJ | CAK | CAM | CAY | 0.7° | 0.3° |
| CAJ | CAK | CAM | H1 | 179.3° | 180.0° |
| CAK | CAJ | CAL | H4 | 179.7° | 180.0° |
| CAN | CAY | CAM | CAK | 0.2° | 0.6° |
| CAN | CAY | CAM | CAX | 179.4° | 179.4° |
| CAN | CAY | CAX | NAR | 25.7° | 180.0° |
| CAN | CAY | CAX | OAD | 155.9° | 0.0° |
| CAN | CAY | CAM | H1 | 179.8° | 179.7° |
| CAY | CAN | CAL | H4 | 179.3° | 179.7° |
| OAE | PBB | N | OAT | 121.3° | 120.0° |
| OAE | PBB | N | OAI | 123.1° | 120.0° |
| OAE | PBB | OAT | CAQ | 56.9° | 50.0° |
| OAE | PBB | OAT | OAI | 119.9° | 120.0° |
| OAE | PBB | OAI | H11 | 0.0° | 180.0° |
| OAE | PBB | N | H12 | 101.3° | 56.0° |
| N | PBB | OAT | CAQ | 64.9° | 70.0° |
| N | PBB | OAT | OAI | 118.3° | 120.0° |
| N | PBB | OAI | H11 | 123.6° | 60.0° |
| PBB | N | CA | H13 | 45.5° | 24.9° |
| CAK | CAM | CAY | H1 | 180.0° | 179.7° |
| CAK | CAM | CAY | CAX | 179.6° | 180.0° |
| CAM | CAK | CAJ | H3 | 179.6° | 179.9° |
| CAM | CAY | CAX | NAR | 154.9° | 0.6° |
| CAM | CAY | CAX | OAD | 23.5° | 179.4° |
| CAY | CAM | CAK | H2 | 179.3° | 179.7° |
| CAM | CAY | CAN | H5 | 179.6° | 179.7° |
| CAY | CAX | NAR | OAD | 178.3° | 180.0° |
| CAY | CAX | NAR | CBA | 173.9° | 180.0° |
| CAX | CAY | CAM | H1 | 0.4° | 0.3° |
| CAX | CAY | CAN | H5 | 1.1° | 0.3° |
| CAY | CAX | NAR | H6 | 6.1° | 0.0° |
| OAT | CAQ | CBA | H9 | 118.9° | 120.0° |
| OAT | CAQ | CBA | H10 | 118.9° | 120.0° |
| CAQ | OAT | PBB | OAI | 176.8° | 170.0° |
| OAT | CAQ | CBA | NAR | 177.9° | 65.0° |
| OAT | CAQ | CBA | CAW | 54.8° | 55.0° |
| OAT | CAQ | CBA | H7 | 60.5° | 175.0° |
| OAT | CAQ | H9 | H10 | 123.2° | 120.0° |
| CBA | CAQ | OAT | PBB | 148.8° | 180.0° |
| CAQ | CBA | NAR | CAX | 163.0° | 155.0° |
| CAQ | CBA | NAR | CAW | 122.5° | 120.1° |
| CAQ | CBA | NAR | H7 | 116.8° | 119.9° |
| CAQ | CBA | CAW | H7 | 115.4° | 120.0° |
| CAQ | CBA | CAW | OAH | 66.5° | 120.0° |
| CAQ | CBA | CAW | OAC | 111.2° | 60.0° |
| CAQ | CBA | NAR | H6 | 17.0° | 25.1° |
| CBA | CAQ | H9 | H10 | 123.1° | 120.0° |
| PBB | OAT | CAQ | H9 | 29.9° | 60.1° |
| PBB | OAT | CAQ | H10 | 92.2° | 60.0° |
| OAT | PBB | OAI | H11 | 120.1° | 60.0° |
| OAT | PBB | N | H12 | 20.0° | 176.0° |
| OAI | PBB | N | H12 | 135.7° | 64.0° |
| CAX | NAR | CBA | H6 | 180.0° | 180.0° |
| CAX | NAR | CBA | CAW | 40.5° | 85.0° |
| CAX | NAR | CBA | H7 | 80.1° | 35.0° |
| CBA | NAR | CAX | OAD | 4.4° | 0.0° |
| NAR | CBA | CAW | H7 | 121.2° | 119.9° |
| NAR | CBA | CAW | OAH | 56.9° | 0.1° |
| NAR | CBA | CAW | OAC | 125.3° | 180.0° |
| NAR | CBA | CAQ | H9 | 59.0° | 54.9° |
| NAR | CBA | CAQ | H10 | 63.2° | 175.0° |
| OAD | CAX | NAR | H6 | 175.6° | 180.0° |
| CBA | CAW | OAH | OAC | 177.5° | 179.9° |
| CAW | CBA | NAR | H6 | 139.5° | 95.0° |
| CBA | CAW | OAC | H8 | 177.5° | 179.9° |
| CAW | CBA | CAQ | H9 | 173.7° | 175.0° |
| CAW | CBA | CAQ | H10 | 64.1° | 65.0° |
| OAH | CAW | CBA | H7 | 178.1° | 120.0° |
| OAH | CAW | OAC | H8 | 0.0° | 0.0° |
| OAC | CAW | CBA | H7 | 4.2° | 60.0° |
| H1 | CAM | CAK | H2 | 0.7° | 0.0° |
| H2 | CAK | CAJ | H3 | 0.5° | 0.0° |
| H3 | CAJ | CAL | H4 | 0.3° | 0.1° |
| H4 | CAL | CAN | H5 | 0.7° | 0.0° |
| H6 | NAR | CBA | H7 | 99.8° | 145.0° |
| H7 | CBA | CAQ | H9 | 58.4° | 65.0° |
| H7 | CBA | CAQ | H10 | 179.5° | 55.1° |
| H12 | N | CA | H13 | 165.9° | 148.9° |
| H13 | CA | CB | H15 | 54.0° | 175.0° |
| H13 | CA | CB | H16 | 65.7° | 65.0° |
| H15 | CB | CG | H17 | 170.0° | 180.0° |
| H15 | CB | CG | H18 | 51.3° | 60.0° |
| H16 | CB | CG | H17 | 70.2° | 60.0° |
| H16 | CB | CG | H18 | 171.1° | 179.9° |
