9TB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAY | doub | 1.21Å | 1.24Å | |
| OAF | CAW | doub | 1.21Å | 1.26Å | |
| OAH | CAY | sing | 1.34Å | 1.27Å | |
| CAY | CBE | sing | 1.51Å | 1.54Å | |
| CAW | OAA | sing | 1.34Å | 1.25Å | |
| CAW | CAP | sing | 1.51Å | 1.53Å | |
| CAP | CAS | sing | 1.53Å | 1.54Å | |
| CAS | CBE | sing | 1.53Å | 1.56Å | |
| CBE | NAV | sing | 1.47Å | 1.46Å | |
| OAE | CBA | doub | 1.22Å | 1.23Å | |
| NAV | CBA | sing | 1.35Å | 1.33Å | |
| CBA | N | sing | 1.35Å | 1.33Å | |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAO | CAZ | sing | 1.51Å | 1.52Å | |
| CB | CAN | sing | 1.53Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| OAD | CAZ | doub | 1.21Å | 1.24Å | |
| CAZ | NAT | sing | 1.35Å | 1.37Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| NAT | CAQ | sing | 1.46Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| CAQ | CBC | sing | 1.51Å | 1.41Å | |
| CBC | CAM | doub | 1.38Å | 1.42Å | Aromatic |
| CBC | CAL | sing | 1.38Å | 1.36Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.41Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CBB | doub | 1.39Å | 1.41Å | Aromatic |
| CAJ | CBB | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | FAI | sing | 1.35Å | 1.42Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CBE | H6 | sing | 1.09Å | 1.10Å | |
| OAH | H7 | sing | 0.97Å | 0.95Å | |
| NAV | H8 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| OXT | H11 | sing | 0.97Å | 0.95Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CAN | H14 | sing | 1.09Å | 1.10Å | |
| CAN | H15 | sing | 1.09Å | 1.10Å | |
| CAO | H16 | sing | 1.09Å | 1.10Å | |
| CAO | H17 | sing | 1.09Å | 1.10Å | |
| NAT | H18 | sing | 0.97Å | 1.00Å | |
| CAQ | H19 | sing | 1.09Å | 1.10Å | |
| CAQ | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.08Å | 1.08Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAK | H23 | sing | 1.08Å | 1.08Å | |
| CAM | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAY | OAH | 124.3° | 120.0° |
| OAC | CAY | CBE | 115.7° | 120.0° |
| OAF | CAW | OAA | 125.3° | 120.0° |
| OAF | CAW | CAP | 118.4° | 120.0° |
| OAH | CAY | CBE | 120.0° | 120.0° |
| CAY | OAH | H7 | 109.5° | 117.0° |
| CAY | CBE | CAS | 109.8° | 109.5° |
| CAY | CBE | NAV | 107.4° | 109.5° |
| CAY | CBE | H6 | 108.8° | 109.5° |
| OAA | CAW | CAP | 116.2° | 120.0° |
| CAW | OAA | H1 | 109.5° | 117.0° |
| CAW | CAP | CAS | 114.5° | 109.5° |
| CAW | CAP | H2 | 108.2° | 109.5° |
| CAW | CAP | H3 | 108.2° | 109.5° |
| CAP | CAS | CBE | 109.3° | 109.5° |
| CAS | CAP | H2 | 108.2° | 109.5° |
| CAS | CAP | H3 | 108.2° | 109.5° |
| CAP | CAS | H4 | 109.5° | 109.5° |
| CAP | CAS | H5 | 109.5° | 109.5° |
| CAS | CBE | NAV | 112.4° | 109.5° |
| CBE | CAS | H4 | 109.5° | 109.4° |
| CBE | CAS | H5 | 109.5° | 109.4° |
| CAS | CBE | H6 | 108.5° | 109.5° |
| CBE | NAV | CBA | 120.8° | 120.0° |
| NAV | CBE | H6 | 109.8° | 109.4° |
| CBE | NAV | H8 | 119.6° | 119.9° |
| OAE | CBA | NAV | 119.6° | 120.0° |
| OAE | CBA | N | 124.1° | 120.0° |
| NAV | CBA | N | 115.9° | 120.0° |
| CBA | NAV | H8 | 119.6° | 120.1° |
| CBA | N | CA | 123.2° | 120.0° |
| CBA | N | H9 | 118.4° | 120.0° |
| CAN | CAO | CAZ | 102.6° | 109.5° |
| CAO | CAN | CB | 113.0° | 109.5° |
| CAO | CAN | H14 | 108.6° | 109.4° |
| CAO | CAN | H15 | 108.6° | 109.5° |
| CAN | CAO | H16 | 111.2° | 109.5° |
| CAN | CAO | H17 | 111.2° | 109.5° |
| CAO | CAZ | OAD | 118.5° | 120.0° |
| CAO | CAZ | NAT | 116.4° | 120.0° |
| CAZ | CAO | H16 | 111.1° | 109.5° |
| CAZ | CAO | H17 | 111.2° | 109.5° |
| CAN | CB | CA | 112.1° | 109.4° |
| CAN | CB | H12 | 108.8° | 109.5° |
| CAN | CB | H13 | 108.8° | 109.5° |
| CB | CAN | H14 | 108.6° | 109.5° |
| CB | CAN | H15 | 108.6° | 109.5° |
| CB | CA | N | 110.4° | 109.5° |
| CB | CA | C | 116.1° | 109.5° |
| CB | CA | H10 | 106.5° | 109.5° |
| CA | CB | H12 | 108.8° | 109.4° |
| CA | CB | H13 | 108.8° | 109.5° |
| N | CA | C | 109.3° | 109.5° |
| CA | N | H9 | 118.4° | 120.0° |
| N | CA | H10 | 107.5° | 109.5° |
| OAD | CAZ | NAT | 125.0° | 120.0° |
| CAZ | NAT | CAQ | 120.9° | 120.0° |
| CAZ | NAT | H18 | 119.6° | 120.0° |
| CA | C | O | 119.7° | 120.0° |
| CA | C | OXT | 113.0° | 120.0° |
| C | CA | H10 | 106.7° | 109.5° |
| NAT | CAQ | CBC | 112.2° | 109.5° |
| CAQ | NAT | H18 | 119.5° | 120.0° |
| NAT | CAQ | H19 | 108.8° | 109.5° |
| NAT | CAQ | H20 | 108.8° | 109.5° |
| O | C | OXT | 127.3° | 120.0° |
| C | OXT | H11 | 109.5° | 117.0° |
| CAQ | CBC | CAM | 125.5° | 120.0° |
| CAQ | CBC | CAL | 117.9° | 120.0° |
| CBC | CAQ | H19 | 108.8° | 109.5° |
| CBC | CAQ | H20 | 108.8° | 109.5° |
| CAM | CBC | CAL | 116.6° | 120.0° |
| CBC | CAM | CAK | 120.5° | 120.0° |
| CBC | CAM | H24 | 119.8° | 120.0° |
| CBC | CAL | CAJ | 123.7° | 120.0° |
| CBC | CAL | H21 | 118.2° | 119.9° |
| CAM | CAK | CBB | 121.5° | 120.0° |
| CAM | CAK | H23 | 119.3° | 120.0° |
| CAK | CAM | H24 | 119.8° | 120.0° |
| CAL | CAJ | CBB | 120.6° | 120.0° |
| CAJ | CAL | H21 | 118.1° | 120.0° |
| CAL | CAJ | H22 | 119.7° | 120.0° |
| CAK | CBB | CAJ | 117.2° | 119.9° |
| CAK | CBB | FAI | 123.5° | 120.0° |
| CBB | CAK | H23 | 119.3° | 120.0° |
| CAJ | CBB | FAI | 119.3° | 120.1° |
| CBB | CAJ | H22 | 119.7° | 120.0° |
| H2 | CAP | H3 | 109.5° | 109.5° |
| H4 | CAS | H5 | 109.4° | 109.5° |
| H12 | CB | H13 | 109.5° | 109.5° |
| H14 | CAN | H15 | 109.5° | 109.5° |
| H16 | CAO | H17 | 109.5° | 109.4° |
| H19 | CAQ | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAY | OAH | CBE | 179.6° | 179.9° |
| OAC | CAY | CBE | CAS | 82.2° | 120.1° |
| OAC | CAY | CBE | NAV | 155.2° | 0.1° |
| OAC | CAY | CBE | H6 | 36.4° | 119.9° |
| OAC | CAY | OAH | H7 | 0.0° | 0.0° |
| OAF | CAW | OAA | CAP | 177.1° | 180.0° |
| OAF | CAW | CAP | CAS | 30.0° | 0.0° |
| OAF | CAW | OAA | H1 | 0.0° | 0.0° |
| OAF | CAW | CAP | H2 | 90.8° | 120.0° |
| OAF | CAW | CAP | H3 | 150.7° | 120.0° |
| OAH | CAY | CBE | CAS | 97.4° | 60.0° |
| OAH | CAY | CBE | NAV | 25.2° | 180.0° |
| OAH | CAY | CBE | H6 | 144.0° | 60.0° |
| CAY | CBE | CAS | CAP | 65.9° | 175.0° |
| CAY | CBE | CAS | NAV | 119.5° | 120.0° |
| CAY | CBE | CAS | H6 | 118.8° | 120.0° |
| CAY | CBE | NAV | H6 | 118.1° | 120.0° |
| CAY | CBE | NAV | CBA | 52.9° | 85.0° |
| CAY | CBE | CAS | H4 | 174.1° | 55.0° |
| CAY | CBE | CAS | H5 | 54.1° | 65.0° |
| CBE | CAY | OAH | H7 | 179.6° | 179.9° |
| CAY | CBE | NAV | H8 | 127.0° | 95.0° |
| OAA | CAW | CAP | CAS | 152.8° | 180.0° |
| OAA | CAW | CAP | H2 | 86.5° | 60.0° |
| OAA | CAW | CAP | H3 | 32.0° | 60.0° |
| CAW | CAP | CAS | H2 | 120.7° | 120.0° |
| CAW | CAP | CAS | H3 | 120.7° | 120.0° |
| CAW | CAP | CAS | CBE | 169.9° | 180.0° |
| CAP | CAW | OAA | H1 | 177.1° | 180.0° |
| CAW | CAP | H2 | H3 | 117.7° | 120.0° |
| CAW | CAP | CAS | H4 | 70.1° | 60.0° |
| CAW | CAP | CAS | H5 | 49.9° | 60.0° |
| CAP | CAS | CBE | H4 | 120.0° | 120.0° |
| CAP | CAS | CBE | H5 | 120.0° | 120.0° |
| CAP | CAS | CBE | NAV | 53.6° | 65.0° |
| CAS | CAP | H2 | H3 | 117.7° | 120.0° |
| CAP | CAS | H4 | H5 | 120.1° | 120.1° |
| CAP | CAS | CBE | H6 | 175.3° | 55.0° |
| CAS | CBE | NAV | H6 | 121.0° | 120.0° |
| CAS | CBE | NAV | CBA | 173.8° | 155.0° |
| CBE | CAS | CAP | H2 | 49.2° | 60.0° |
| CBE | CAS | CAP | H3 | 69.3° | 60.0° |
| CBE | CAS | H4 | H5 | 120.1° | 119.9° |
| CAS | CBE | NAV | H8 | 6.2° | 25.0° |
| CBE | NAV | CBA | OAE | 18.6° | 0.0° |
| CBE | NAV | CBA | H8 | 180.0° | 180.0° |
| CBE | NAV | CBA | N | 168.2° | 180.0° |
| NAV | CBE | CAS | H4 | 66.4° | 175.0° |
| NAV | CBE | CAS | H5 | 173.6° | 55.0° |
| OAE | CBA | NAV | N | 173.2° | 180.0° |
| OAE | CBA | N | CA | 1.9° | 0.0° |
| OAE | CBA | NAV | H8 | 161.5° | 180.0° |
| OAE | CBA | N | H9 | 178.1° | 180.0° |
| NAV | CBA | N | CA | 171.0° | 180.0° |
| CBA | NAV | CBE | H6 | 65.2° | 35.0° |
| NAV | CBA | N | H9 | 9.0° | 0.0° |
| CBA | N | CA | CB | 82.2° | 155.0° |
| CBA | N | CA | H9 | 180.0° | 180.0° |
| CBA | N | CA | C | 148.9° | 85.0° |
| N | CBA | NAV | H8 | 11.8° | 0.0° |
| CBA | N | CA | H10 | 33.5° | 35.0° |
| CAN | CAO | CAZ | H16 | 118.9° | 120.0° |
| CAN | CAO | CAZ | H17 | 118.9° | 120.0° |
| CAO | CAN | CB | H14 | 120.5° | 120.0° |
| CAO | CAN | CB | H15 | 120.6° | 120.0° |
| CAO | CAN | CB | CA | 108.4° | 180.0° |
| CAN | CAO | CAZ | OAD | 74.1° | 0.0° |
| CAN | CAO | CAZ | NAT | 102.6° | 180.0° |
| CAO | CAN | CB | H12 | 12.0° | 60.1° |
| CAO | CAN | CB | H13 | 131.2° | 60.0° |
| CAO | CAN | H14 | H15 | 118.4° | 120.0° |
| CAN | CAO | H16 | H17 | 123.2° | 120.0° |
| CAZ | CAO | CAN | CB | 176.9° | 180.0° |
| CAO | CAZ | OAD | NAT | 176.3° | 180.0° |
| CAO | CAZ | NAT | CAQ | 174.2° | 180.0° |
| CAZ | CAO | CAN | H14 | 56.4° | 59.9° |
| CAZ | CAO | CAN | H15 | 62.5° | 60.0° |
| CAZ | CAO | H16 | H17 | 123.2° | 120.0° |
| CAO | CAZ | NAT | H18 | 5.8° | 0.0° |
| CAN | CB | CA | H12 | 120.4° | 119.9° |
| CAN | CB | CA | H13 | 120.4° | 120.0° |
| CAN | CB | CA | N | 118.9° | 65.0° |
| CAN | CB | CA | C | 6.2° | 175.0° |
| CAN | CB | CA | H10 | 124.7° | 55.0° |
| CAN | CB | H12 | H13 | 118.8° | 120.1° |
| CB | CAN | H14 | H15 | 118.4° | 120.0° |
| CB | CAN | CAO | H16 | 58.0° | 60.0° |
| CB | CAN | CAO | H17 | 64.2° | 60.0° |
| CB | CA | N | C | 128.9° | 120.0° |
| CB | CA | N | H10 | 115.7° | 120.0° |
| CB | CA | C | H10 | 118.4° | 120.0° |
| CB | CA | C | O | 87.0° | 120.0° |
| CB | CA | C | OXT | 94.9° | 60.0° |
| CB | CA | N | H9 | 97.8° | 25.0° |
| CA | CB | H12 | H13 | 118.8° | 120.0° |
| CA | CB | CAN | H14 | 131.1° | 60.1° |
| CA | CB | CAN | H15 | 12.2° | 60.0° |
| N | CA | C | H10 | 115.9° | 120.0° |
| N | CA | C | O | 38.6° | 0.0° |
| N | CA | C | OXT | 139.5° | 180.0° |
| N | CA | CB | H12 | 1.5° | 55.0° |
| N | CA | CB | H13 | 120.7° | 175.0° |
| OAD | CAZ | NAT | CAQ | 2.2° | 0.0° |
| OAD | CAZ | CAO | H16 | 44.8° | 120.0° |
| OAD | CAZ | CAO | H17 | 167.0° | 120.0° |
| OAD | CAZ | NAT | H18 | 177.8° | 179.9° |
| CAZ | NAT | CAQ | H18 | 180.0° | 179.9° |
| CAZ | NAT | CAQ | CBC | 118.3° | 180.0° |
| NAT | CAZ | CAO | H16 | 138.5° | 60.0° |
| NAT | CAZ | CAO | H17 | 16.3° | 60.0° |
| CAZ | NAT | CAQ | H19 | 2.1° | 60.0° |
| CAZ | NAT | CAQ | H20 | 121.3° | 60.0° |
| CA | C | O | OXT | 177.8° | 180.0° |
| C | CA | N | H9 | 31.0° | 95.1° |
| CA | C | OXT | H11 | 177.9° | 180.0° |
| C | CA | CB | H12 | 126.6° | 65.1° |
| C | CA | CB | H13 | 114.2° | 55.0° |
| NAT | CAQ | CBC | H19 | 120.4° | 120.0° |
| NAT | CAQ | CBC | H20 | 120.4° | 120.0° |
| NAT | CAQ | CBC | CAM | 38.8° | 90.0° |
| NAT | CAQ | CBC | CAL | 143.6° | 89.7° |
| NAT | CAQ | H19 | H20 | 118.7° | 120.0° |
| O | C | CA | H10 | 154.5° | 120.0° |
| O | C | OXT | H11 | 0.0° | 0.0° |
| OXT | C | CA | H10 | 23.6° | 60.0° |
| CAQ | CBC | CAM | CAL | 177.6° | 179.8° |
| CAQ | CBC | CAM | CAK | 179.5° | 179.8° |
| CAQ | CBC | CAL | CAJ | 178.2° | 180.0° |
| CBC | CAQ | NAT | H18 | 61.7° | 0.0° |
| CBC | CAQ | H19 | H20 | 118.7° | 120.0° |
| CAQ | CBC | CAL | H21 | 1.8° | 0.0° |
| CAQ | CBC | CAM | H24 | 0.5° | 0.0° |
| CBC | CAM | CAK | H24 | 180.0° | 179.9° |
| CAM | CBC | CAL | CAJ | 0.5° | 0.2° |
| CBC | CAM | CAK | CBB | 2.1° | 0.4° |
| CAM | CBC | CAQ | H19 | 81.6° | 30.0° |
| CAM | CBC | CAQ | H20 | 159.2° | 150.0° |
| CAM | CBC | CAL | H21 | 179.5° | 179.8° |
| CBC | CAM | CAK | H23 | 177.9° | 179.7° |
| CAL | CBC | CAM | CAK | 1.9° | 0.4° |
| CBC | CAL | CAJ | H21 | 180.0° | 180.0° |
| CBC | CAL | CAJ | CBB | 1.0° | 0.0° |
| CAL | CBC | CAQ | H19 | 95.9° | 150.3° |
| CAL | CBC | CAQ | H20 | 23.2° | 30.3° |
| CBC | CAL | CAJ | H22 | 179.0° | 180.0° |
| CAL | CBC | CAM | H24 | 178.1° | 179.7° |
| CAM | CAK | CBB | H23 | 180.0° | 179.9° |
| CAM | CAK | CBB | CAJ | 0.6° | 0.2° |
| CAM | CAK | CBB | FAI | 179.7° | 179.8° |
| CAL | CAJ | CBB | CAK | 0.9° | 0.0° |
| CAL | CAJ | CBB | H22 | 180.0° | 179.9° |
| CAL | CAJ | CBB | FAI | 178.3° | 180.0° |
| CAK | CBB | CAJ | FAI | 179.2° | 180.0° |
| CAK | CBB | CAJ | H22 | 179.1° | 180.0° |
| CBB | CAK | CAM | H24 | 177.9° | 179.7° |
| CBB | CAJ | CAL | H21 | 179.0° | 180.0° |
| CAJ | CBB | CAK | H23 | 179.4° | 180.0° |
| FAI | CBB | CAJ | H22 | 1.7° | 0.0° |
| FAI | CBB | CAK | H23 | 0.2° | 0.0° |
| H2 | CAP | CAS | H4 | 169.2° | 180.0° |
| H2 | CAP | CAS | H5 | 70.8° | 60.0° |
| H3 | CAP | CAS | H4 | 50.6° | 60.0° |
| H3 | CAP | CAS | H5 | 170.7° | 180.0° |
| H4 | CAS | CBE | H6 | 55.3° | 65.1° |
| H5 | CAS | CBE | H6 | 64.7° | 175.0° |
| H6 | CBE | NAV | H8 | 114.8° | 145.0° |
| H9 | N | CA | H10 | 146.5° | 145.0° |
| H10 | CA | CB | H12 | 114.9° | 175.0° |
| H10 | CA | CB | H13 | 4.3° | 65.0° |
| H12 | CB | CAN | H14 | 108.5° | 180.0° |
| H12 | CB | CAN | H15 | 132.6° | 59.9° |
| H13 | CB | CAN | H14 | 10.7° | 59.9° |
| H13 | CB | CAN | H15 | 108.2° | 180.0° |
| H14 | CAN | CAO | H16 | 62.5° | 180.0° |
| H14 | CAN | CAO | H17 | 175.3° | 60.0° |
| H15 | CAN | CAO | H16 | 178.6° | 60.0° |
| H15 | CAN | CAO | H17 | 56.4° | 180.0° |
| H18 | NAT | CAQ | H19 | 177.9° | 120.1° |
| H18 | NAT | CAQ | H20 | 58.7° | 120.0° |
| H21 | CAL | CAJ | H22 | 1.0° | 0.1° |
| H23 | CAK | CAM | H24 | 2.1° | 0.1° |
