2R7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAV | doub | 1.21Å | 1.26Å | |
| OAB | CAV | sing | 1.34Å | 1.24Å | |
| CAV | CBB | sing | 1.51Å | 1.44Å | |
| CAQ | CBB | sing | 1.53Å | 1.43Å | |
| CAQ | CAP | sing | 1.53Å | 1.52Å | |
| CBB | CAP | sing | 1.53Å | 1.51Å | |
| CBB | NAT | sing | 1.47Å | 1.49Å | |
| OAC | CAW | doub | 1.22Å | 1.24Å | |
| NAT | CAW | sing | 1.35Å | 1.36Å | |
| CAL | CAN | sing | 1.53Å | 1.56Å | |
| CAL | CAM | sing | 1.53Å | 1.57Å | |
| CAN | NAR | sing | 1.46Å | 1.49Å | |
| CAW | N | sing | 1.35Å | 1.34Å | |
| CB | CAM | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.58Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| OAD | CAX | doub | 1.22Å | 1.24Å | |
| NAR | CAX | sing | 1.35Å | 1.35Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CAX | CAZ | sing | 1.48Å | 1.57Å | |
| C | O | doub | 1.21Å | 1.30Å | |
| C | OXT | sing | 1.34Å | 1.27Å | |
| CAZ | CAJ | doub | 1.40Å | 1.41Å | Aromatic |
| CAZ | CAK | sing | 1.40Å | 1.41Å | Aromatic |
| CAJ | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.43Å | Aromatic |
| CAH | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAY | sing | 1.38Å | 1.41Å | Aromatic |
| CAY | IAG | sing | 2.09Å | 2.21Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAQ | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| OAB | H5 | sing | 0.97Å | 0.95Å | |
| NAT | H6 | sing | 0.97Å | 1.00Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| OXT | H9 | sing | 0.97Å | 0.95Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAN | H16 | sing | 1.09Å | 1.10Å | |
| CAN | H17 | sing | 1.09Å | 1.10Å | |
| NAR | H18 | sing | 0.97Å | 1.00Å | |
| CAJ | H19 | sing | 1.08Å | 1.08Å | |
| CAH | H20 | sing | 1.08Å | 1.08Å | |
| CAI | H21 | sing | 1.08Å | 1.08Å | |
| CAK | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAV | OAB | 125.2° | 120.0° |
| OAF | CAV | CBB | 116.4° | 120.0° |
| OAB | CAV | CBB | 118.4° | 120.0° |
| CAV | OAB | H5 | 109.5° | 117.0° |
| CAV | CBB | CAQ | 130.8° | 117.5° |
| CAV | CBB | CAP | 113.9° | 117.5° |
| CAV | CBB | NAT | 107.6° | 115.5° |
| CBB | CAQ | CAP | 61.5° | 60.0° |
| CAQ | CBB | CAP | 62.1° | 60.0° |
| CAQ | CBB | NAT | 119.1° | 117.5° |
| CBB | CAQ | H3 | 119.7° | 117.5° |
| CBB | CAQ | H4 | 119.7° | 117.5° |
| CAQ | CAP | CBB | 56.4° | 60.0° |
| CAQ | CAP | H1 | 120.6° | 117.5° |
| CAQ | CAP | H2 | 120.6° | 117.5° |
| CAP | CAQ | H3 | 119.8° | 117.5° |
| CAP | CAQ | H4 | 119.7° | 117.6° |
| CAP | CBB | NAT | 112.7° | 117.5° |
| CBB | CAP | H1 | 120.6° | 117.5° |
| CBB | CAP | H2 | 120.6° | 117.5° |
| CBB | NAT | CAW | 122.7° | 120.0° |
| CBB | NAT | H6 | 118.7° | 120.0° |
| OAC | CAW | NAT | 123.0° | 120.0° |
| OAC | CAW | N | 122.0° | 120.0° |
| NAT | CAW | N | 114.8° | 120.0° |
| CAW | NAT | H6 | 118.6° | 120.0° |
| CAN | CAL | CAM | 113.5° | 109.5° |
| CAL | CAN | NAR | 112.4° | 109.5° |
| CAN | CAL | H14 | 108.4° | 109.5° |
| CAN | CAL | H15 | 108.4° | 109.5° |
| CAL | CAN | H16 | 108.7° | 109.5° |
| CAL | CAN | H17 | 108.7° | 109.4° |
| CAL | CAM | CB | 109.2° | 109.5° |
| CAL | CAM | H12 | 109.5° | 109.4° |
| CAL | CAM | H13 | 109.5° | 109.5° |
| CAM | CAL | H14 | 108.4° | 109.5° |
| CAM | CAL | H15 | 108.4° | 109.5° |
| CAN | NAR | CAX | 124.2° | 120.0° |
| NAR | CAN | H16 | 108.7° | 109.5° |
| NAR | CAN | H17 | 108.7° | 109.5° |
| CAN | NAR | H18 | 117.9° | 120.0° |
| CAW | N | CA | 126.6° | 120.0° |
| CAW | N | H7 | 116.7° | 120.0° |
| CAM | CB | CA | 119.3° | 109.4° |
| CAM | CB | H10 | 107.0° | 109.5° |
| CAM | CB | H11 | 107.0° | 109.5° |
| CB | CAM | H12 | 109.5° | 109.5° |
| CB | CAM | H13 | 109.5° | 109.5° |
| CB | CA | N | 100.7° | 109.5° |
| CB | CA | C | 109.6° | 109.4° |
| CB | CA | H8 | 112.2° | 109.5° |
| CA | CB | H10 | 107.0° | 109.5° |
| CA | CB | H11 | 107.0° | 109.5° |
| N | CA | C | 106.5° | 109.5° |
| CA | N | H7 | 116.7° | 120.0° |
| N | CA | H8 | 114.5° | 109.5° |
| OAD | CAX | NAR | 121.7° | 120.0° |
| OAD | CAX | CAZ | 119.7° | 120.0° |
| NAR | CAX | CAZ | 118.0° | 120.0° |
| CAX | NAR | H18 | 117.9° | 120.0° |
| CA | C | O | 117.8° | 120.0° |
| CA | C | OXT | 113.7° | 120.1° |
| C | CA | H8 | 112.6° | 109.5° |
| CAX | CAZ | CAJ | 120.7° | 120.1° |
| CAX | CAZ | CAK | 123.0° | 120.1° |
| O | C | OXT | 128.5° | 120.0° |
| C | OXT | H9 | 109.5° | 117.1° |
| CAJ | CAZ | CAK | 116.2° | 119.8° |
| CAZ | CAJ | CAH | 121.5° | 119.8° |
| CAZ | CAJ | H19 | 119.3° | 120.1° |
| CAZ | CAK | CAI | 121.4° | 119.9° |
| CAZ | CAK | H22 | 119.3° | 120.1° |
| CAJ | CAH | CAY | 122.9° | 120.1° |
| CAH | CAJ | H19 | 119.2° | 120.1° |
| CAJ | CAH | H20 | 118.6° | 119.9° |
| CAK | CAI | CAY | 122.6° | 120.1° |
| CAK | CAI | H21 | 118.7° | 119.9° |
| CAI | CAK | H22 | 119.3° | 120.1° |
| CAH | CAY | CAI | 115.3° | 120.3° |
| CAH | CAY | IAG | 121.9° | 119.9° |
| CAY | CAH | H20 | 118.6° | 120.0° |
| CAI | CAY | IAG | 122.7° | 119.9° |
| CAY | CAI | H21 | 118.7° | 120.0° |
| H1 | CAP | H2 | 109.5° | 115.5° |
| H3 | CAQ | H4 | 109.5° | 115.6° |
| H10 | CB | H11 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.5° |
| H14 | CAL | H15 | 109.5° | 109.4° |
| H16 | CAN | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAV | OAB | CBB | 179.1° | 180.0° |
| OAF | CAV | CBB | CAQ | 50.6° | 24.4° |
| OAF | CAV | CBB | CAP | 22.3° | 44.2° |
| OAF | CAV | CBB | NAT | 147.9° | 170.1° |
| OAF | CAV | OAB | H5 | 0.0° | 0.0° |
| OAB | CAV | CBB | CAQ | 128.6° | 155.6° |
| OAB | CAV | CBB | CAP | 158.6° | 135.8° |
| OAB | CAV | CBB | NAT | 33.0° | 9.9° |
| CAV | CBB | CAQ | CAP | 98.5° | 107.5° |
| CAV | CBB | CAQ | NAT | 159.8° | 145.0° |
| CAV | CBB | CAP | NAT | 122.9° | 145.0° |
| CAV | CBB | NAT | CAW | 48.6° | 80.4° |
| CAV | CBB | CAP | H1 | 126.4° | 145.0° |
| CAV | CBB | CAP | H2 | 16.6° | 0.0° |
| CAV | CBB | CAQ | H3 | 151.6° | 0.0° |
| CAV | CBB | CAQ | H4 | 11.4° | 145.0° |
| CBB | CAV | OAB | H5 | 179.1° | 180.0° |
| CAV | CBB | NAT | H6 | 131.4° | 99.6° |
| CBB | CAQ | CAP | H3 | 109.9° | 107.4° |
| CBB | CAQ | CAP | H4 | 109.9° | 107.5° |
| CAQ | CBB | CAP | NAT | 112.1° | 107.5° |
| CAQ | CBB | NAT | CAW | 147.3° | 65.3° |
| CBB | CAQ | CAP | H1 | 108.5° | 107.6° |
| CBB | CAQ | CAP | H2 | 108.4° | 107.5° |
| CBB | CAQ | H3 | H4 | 143.9° | 145.7° |
| CAQ | CBB | NAT | H6 | 32.7° | 114.7° |
| CAQ | CAP | H1 | H2 | 146.7° | 145.6° |
| CAP | CAQ | H3 | H4 | 143.9° | 145.8° |
| CAP | CBB | NAT | CAW | 77.7° | 133.9° |
| CBB | CAP | H1 | H2 | 146.7° | 145.7° |
| CAP | CBB | NAT | H6 | 102.3° | 46.1° |
| CBB | NAT | CAW | OAC | 11.3° | 5.0° |
| CBB | NAT | CAW | H6 | 180.0° | 180.0° |
| CBB | NAT | CAW | N | 174.2° | 175.0° |
| NAT | CBB | CAP | H1 | 3.6° | 0.0° |
| NAT | CBB | CAP | H2 | 139.4° | 145.0° |
| NAT | CBB | CAQ | H3 | 8.1° | 145.0° |
| NAT | CBB | CAQ | H4 | 148.4° | 0.0° |
| OAC | CAW | NAT | N | 174.5° | 179.9° |
| OAC | CAW | N | CA | 9.2° | 0.0° |
| OAC | CAW | NAT | H6 | 168.7° | 174.9° |
| OAC | CAW | N | H7 | 170.8° | 180.0° |
| NAT | CAW | N | CA | 176.2° | 180.0° |
| NAT | CAW | N | H7 | 3.8° | 0.0° |
| CAN | CAL | CAM | H14 | 120.6° | 120.0° |
| CAN | CAL | CAM | H15 | 120.6° | 120.0° |
| CAL | CAN | NAR | H16 | 120.5° | 120.1° |
| CAL | CAN | NAR | H17 | 120.4° | 120.0° |
| CAN | CAL | CAM | CB | 91.2° | 180.0° |
| CAL | CAN | NAR | CAX | 145.3° | 180.0° |
| CAN | CAL | CAM | H12 | 148.8° | 60.0° |
| CAN | CAL | CAM | H13 | 28.7° | 60.0° |
| CAN | CAL | H14 | H15 | 118.1° | 120.0° |
| CAL | CAN | H16 | H17 | 118.7° | 119.9° |
| CAL | CAN | NAR | H18 | 34.7° | 0.1° |
| CAM | CAL | CAN | NAR | 34.2° | 179.9° |
| CAL | CAM | CB | H12 | 119.9° | 120.0° |
| CAL | CAM | CB | H13 | 119.9° | 120.0° |
| CAL | CAM | CB | CA | 179.9° | 180.0° |
| CAL | CAM | CB | H10 | 58.8° | 60.0° |
| CAL | CAM | CB | H11 | 58.4° | 60.0° |
| CAL | CAM | H12 | H13 | 120.1° | 120.0° |
| CAM | CAL | H14 | H15 | 118.1° | 120.0° |
| CAM | CAL | CAN | H16 | 154.7° | 60.0° |
| CAM | CAL | CAN | H17 | 86.2° | 60.0° |
| CAN | NAR | CAX | OAD | 2.2° | 0.1° |
| CAN | NAR | CAX | H18 | 180.0° | 179.9° |
| CAN | NAR | CAX | CAZ | 174.2° | 180.0° |
| NAR | CAN | CAL | H14 | 154.8° | 59.9° |
| NAR | CAN | CAL | H15 | 86.4° | 60.0° |
| NAR | CAN | H16 | H17 | 118.6° | 120.0° |
| CAW | N | CA | CB | 79.2° | 155.1° |
| CAW | N | CA | H7 | 180.0° | 180.0° |
| CAW | N | CA | C | 166.5° | 85.0° |
| N | CAW | NAT | H6 | 5.8° | 5.0° |
| CAW | N | CA | H8 | 41.3° | 35.0° |
| CAM | CB | CA | H10 | 121.4° | 120.0° |
| CAM | CB | CA | H11 | 121.4° | 120.0° |
| CAM | CB | CA | N | 169.1° | 65.0° |
| CAM | CB | CA | C | 57.1° | 175.0° |
| CAM | CB | CA | H8 | 68.8° | 55.0° |
| CAM | CB | H10 | H11 | 115.6° | 120.0° |
| CB | CAM | H12 | H13 | 120.1° | 120.0° |
| CB | CAM | CAL | H14 | 29.4° | 60.0° |
| CB | CAM | CAL | H15 | 148.2° | 60.0° |
| CB | CA | N | C | 114.3° | 120.0° |
| CB | CA | N | H8 | 120.6° | 120.0° |
| CB | CA | C | H8 | 125.6° | 120.0° |
| CB | CA | C | O | 72.5° | 120.0° |
| CB | CA | C | OXT | 107.8° | 60.0° |
| CB | CA | N | H7 | 100.8° | 25.0° |
| CA | CB | H10 | H11 | 115.6° | 120.0° |
| CA | CB | CAM | H12 | 59.9° | 60.0° |
| CA | CB | CAM | H13 | 60.2° | 60.0° |
| N | CA | C | H8 | 126.2° | 120.0° |
| N | CA | C | O | 35.7° | 0.0° |
| N | CA | C | OXT | 144.1° | 180.0° |
| N | CA | CB | H10 | 47.7° | 54.9° |
| N | CA | CB | H11 | 69.5° | 175.0° |
| OAD | CAX | NAR | CAZ | 172.0° | 179.9° |
| OAD | CAX | CAZ | CAJ | 30.6° | 0.0° |
| OAD | CAX | CAZ | CAK | 146.6° | 179.7° |
| OAD | CAX | NAR | H18 | 177.8° | 180.0° |
| NAR | CAX | CAZ | CAJ | 157.2° | 179.9° |
| NAR | CAX | CAZ | CAK | 25.6° | 0.2° |
| CAX | NAR | CAN | H16 | 94.2° | 59.9° |
| CAX | NAR | CAN | H17 | 24.9° | 60.1° |
| CA | C | O | OXT | 179.7° | 180.0° |
| C | CA | N | H7 | 13.5° | 95.0° |
| CA | C | OXT | H9 | 179.7° | 180.0° |
| C | CA | CB | H10 | 64.3° | 65.0° |
| C | CA | CB | H11 | 178.5° | 55.0° |
| CAX | CAZ | CAJ | CAK | 177.3° | 179.7° |
| CAX | CAZ | CAJ | CAH | 178.7° | 180.0° |
| CAX | CAZ | CAK | CAI | 178.3° | 179.7° |
| CAZ | CAX | NAR | H18 | 5.7° | 0.1° |
| CAX | CAZ | CAJ | H19 | 1.3° | 0.0° |
| CAX | CAZ | CAK | H22 | 1.7° | 0.1° |
| O | C | CA | H8 | 161.9° | 120.0° |
| O | C | OXT | H9 | 0.0° | 0.0° |
| OXT | C | CA | H8 | 17.9° | 60.0° |
| CAZ | CAJ | CAH | H19 | 180.0° | 180.0° |
| CAJ | CAZ | CAK | CAI | 1.1° | 0.6° |
| CAZ | CAJ | CAH | CAY | 1.2° | 0.0° |
| CAZ | CAJ | CAH | H20 | 178.8° | 180.0° |
| CAJ | CAZ | CAK | H22 | 179.0° | 179.7° |
| CAK | CAZ | CAJ | CAH | 1.4° | 0.3° |
| CAZ | CAK | CAI | H22 | 180.0° | 179.8° |
| CAZ | CAK | CAI | CAY | 0.5° | 0.5° |
| CAK | CAZ | CAJ | H19 | 178.6° | 179.7° |
| CAZ | CAK | CAI | H21 | 179.5° | 179.7° |
| CAJ | CAH | CAY | H20 | 180.0° | 180.0° |
| CAJ | CAH | CAY | CAI | 0.6° | 0.0° |
| CAJ | CAH | CAY | IAG | 179.3° | 180.0° |
| CAK | CAI | CAY | CAH | 0.2° | 0.3° |
| CAK | CAI | CAY | H21 | 180.0° | 179.8° |
| CAK | CAI | CAY | IAG | 179.6° | 179.7° |
| CAH | CAY | CAI | IAG | 179.8° | 180.0° |
| CAY | CAH | CAJ | H19 | 178.8° | 180.0° |
| CAH | CAY | CAI | H21 | 179.8° | 180.0° |
| CAI | CAY | CAH | H20 | 179.4° | 180.0° |
| CAY | CAI | CAK | H22 | 179.5° | 179.7° |
| IAG | CAY | CAH | H20 | 0.8° | 0.0° |
| IAG | CAY | CAI | H21 | 0.4° | 0.0° |
| H1 | CAP | CAQ | H3 | 1.4° | 145.0° |
| H1 | CAP | CAQ | H4 | 141.7° | 0.1° |
| H2 | CAP | CAQ | H3 | 141.7° | 0.0° |
| H2 | CAP | CAQ | H4 | 1.4° | 145.0° |
| H7 | N | CA | H8 | 138.6° | 145.0° |
| H8 | CA | CB | H10 | 169.8° | 175.0° |
| H8 | CA | CB | H11 | 52.6° | 65.0° |
| H10 | CB | CAM | H12 | 178.7° | 180.0° |
| H10 | CB | CAM | H13 | 61.2° | 59.9° |
| H11 | CB | CAM | H12 | 61.5° | 60.0° |
| H11 | CB | CAM | H13 | 178.4° | 180.0° |
| H12 | CAM | CAL | H14 | 90.6° | 180.0° |
| H12 | CAM | CAL | H15 | 28.2° | 60.0° |
| H13 | CAM | CAL | H14 | 149.3° | 60.0° |
| H13 | CAM | CAL | H15 | 91.8° | 180.0° |
| H14 | CAL | CAN | H16 | 84.7° | 180.0° |
| H14 | CAL | CAN | H17 | 34.4° | 60.1° |
| H15 | CAL | CAN | H16 | 34.1° | 60.1° |
| H15 | CAL | CAN | H17 | 153.2° | 180.0° |
| H16 | CAN | NAR | H18 | 85.8° | 120.0° |
| H17 | CAN | NAR | H18 | 155.1° | 120.0° |
| H19 | CAJ | CAH | H20 | 1.2° | 0.0° |
| H21 | CAI | CAK | H22 | 0.5° | 0.1° |
