7YT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | NAT | sing | 1.32Å | 1.41Å | Aromatic |
| CAV | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| NAT | CAR | doub | 1.32Å | 1.35Å | Aromatic |
| CAW | CAQ | doub | 1.39Å | 1.34Å | Aromatic |
| CAR | CAQ | sing | 1.38Å | 1.36Å | Aromatic |
| CAR | CAS | sing | 1.51Å | 1.41Å | |
| CAQ | CAP | sing | 1.51Å | 1.40Å | |
| CAS | NAO | sing | 1.47Å | 1.47Å | |
| CAP | NAO | sing | 1.47Å | 1.47Å | |
| NAO | CAN | sing | 1.35Å | 1.34Å | |
| CAN | OAX | doub | 1.22Å | 1.23Å | |
| CAN | NAM | sing | 1.35Å | 1.37Å | |
| NAM | CAL | sing | 1.40Å | 1.35Å | |
| CAL | CAK | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAZ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAB | sing | 1.47Å | 1.41Å | |
| CAB | NAC | doub | 1.29Å | 1.34Å | |
| CAB | CAA | sing | 1.51Å | 1.41Å | |
| NAC | NAD | sing | 1.40Å | 1.33Å | |
| CAA | CBA | sing | 1.53Å | 1.55Å | |
| CAA | CAG | sing | 1.53Å | 1.55Å | |
| NAD | CAH | sing | 1.47Å | 1.48Å | |
| NAD | CAE | sing | 1.35Å | 1.33Å | |
| CAG | CAE | sing | 1.51Å | 1.39Å | |
| CAE | OAF | doub | 1.21Å | 1.23Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.08Å | 1.08Å | |
| CAV | H4 | sing | 1.08Å | 1.08Å | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| NAM | H8 | sing | 0.97Å | 1.00Å | |
| CAY | H9 | sing | 1.08Å | 1.08Å | |
| CAZ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| CAG | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CBA | H19 | sing | 1.09Å | 1.10Å | |
| CBA | H20 | sing | 1.09Å | 1.10Å | |
| CBA | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | NAT | 118.8° | 120.8° |
| CAU | CAV | CAW | 118.4° | 119.0° |
| CAU | CAV | H4 | 120.8° | 120.5° |
| CAV | CAU | H5 | 120.6° | 119.6° |
| CAU | NAT | CAR | 120.6° | 121.9° |
| NAT | CAU | H5 | 120.6° | 119.6° |
| CAV | CAW | CAQ | 121.3° | 118.5° |
| CAV | CAW | H3 | 119.4° | 120.8° |
| CAW | CAV | H4 | 120.8° | 120.5° |
| NAT | CAR | CAQ | 119.7° | 120.4° |
| NAT | CAR | CAS | 130.2° | 131.0° |
| CAW | CAQ | CAR | 121.2° | 119.4° |
| CAW | CAQ | CAP | 129.0° | 131.5° |
| CAQ | CAW | H3 | 119.4° | 120.7° |
| CAQ | CAR | CAS | 110.0° | 108.7° |
| CAR | CAQ | CAP | 109.8° | 109.1° |
| CAR | CAS | NAO | 103.1° | 107.8° |
| CAR | CAS | H6 | 111.0° | 109.8° |
| CAR | CAS | H7 | 111.0° | 109.8° |
| CAQ | CAP | NAO | 103.9° | 107.6° |
| CAQ | CAP | H1 | 110.8° | 109.8° |
| CAQ | CAP | H2 | 110.9° | 109.9° |
| CAS | NAO | CAP | 104.1° | 106.9° |
| CAS | NAO | CAN | 125.9° | 126.6° |
| NAO | CAS | H6 | 111.1° | 109.8° |
| NAO | CAS | H7 | 111.1° | 109.9° |
| CAP | NAO | CAN | 130.0° | 126.6° |
| NAO | CAP | H1 | 110.9° | 109.8° |
| NAO | CAP | H2 | 110.9° | 109.8° |
| NAO | CAN | OAX | 118.6° | 120.0° |
| NAO | CAN | NAM | 117.0° | 120.0° |
| OAX | CAN | NAM | 124.3° | 120.0° |
| CAN | NAM | CAL | 124.3° | 120.0° |
| CAN | NAM | H8 | 117.9° | 120.0° |
| NAM | CAL | CAK | 115.5° | 119.9° |
| NAM | CAL | CAY | 127.0° | 119.9° |
| CAL | NAM | H8 | 117.8° | 120.0° |
| CAK | CAL | CAY | 117.1° | 120.2° |
| CAL | CAK | CAJ | 122.1° | 120.1° |
| CAL | CAK | H11 | 119.0° | 119.9° |
| CAL | CAY | CAZ | 120.8° | 120.1° |
| CAL | CAY | H9 | 119.6° | 120.0° |
| CAK | CAJ | CAI | 120.9° | 119.9° |
| CAJ | CAK | H11 | 119.0° | 120.0° |
| CAK | CAJ | H12 | 119.5° | 120.0° |
| CAY | CAZ | CAI | 121.7° | 119.9° |
| CAZ | CAY | H9 | 119.6° | 120.0° |
| CAY | CAZ | H10 | 119.2° | 120.0° |
| CAJ | CAI | CAZ | 117.4° | 119.8° |
| CAJ | CAI | CAB | 122.3° | 120.1° |
| CAI | CAJ | H12 | 119.5° | 120.1° |
| CAZ | CAI | CAB | 120.3° | 120.1° |
| CAI | CAZ | H10 | 119.2° | 120.0° |
| CAI | CAB | NAC | 117.1° | 119.4° |
| CAI | CAB | CAA | 122.5° | 119.4° |
| NAC | CAB | CAA | 120.2° | 121.1° |
| CAB | NAC | NAD | 124.2° | 121.5° |
| CAB | CAA | CBA | 108.6° | 109.4° |
| CAB | CAA | CAG | 115.4° | 109.5° |
| CAB | CAA | H18 | 109.6° | 109.4° |
| NAC | NAD | CAH | 119.4° | 119.7° |
| NAC | NAD | CAE | 121.4° | 120.6° |
| CBA | CAA | CAG | 107.4° | 109.6° |
| CBA | CAA | H18 | 107.8° | 109.5° |
| CAA | CBA | H19 | 109.5° | 109.4° |
| CAA | CBA | H20 | 109.5° | 109.4° |
| CAA | CBA | H21 | 109.5° | 109.5° |
| CAA | CAG | CAE | 116.5° | 109.0° |
| CAA | CAG | H16 | 107.7° | 109.7° |
| CAA | CAG | H17 | 107.7° | 109.5° |
| CAG | CAA | H18 | 107.8° | 109.4° |
| CAH | NAD | CAE | 119.3° | 119.7° |
| NAD | CAH | H13 | 109.5° | 109.5° |
| NAD | CAH | H14 | 109.5° | 109.5° |
| NAD | CAH | H15 | 109.4° | 109.5° |
| NAD | CAE | CAG | 122.2° | 119.6° |
| NAD | CAE | OAF | 118.4° | 120.2° |
| CAG | CAE | OAF | 119.4° | 120.2° |
| CAE | CAG | H16 | 107.7° | 109.6° |
| CAE | CAG | H17 | 107.7° | 109.5° |
| H1 | CAP | H2 | 109.4° | 109.8° |
| H6 | CAS | H7 | 109.5° | 109.9° |
| H13 | CAH | H14 | 109.5° | 109.5° |
| H13 | CAH | H15 | 109.5° | 109.4° |
| H14 | CAH | H15 | 109.5° | 109.4° |
| H16 | CAG | H17 | 109.5° | 109.5° |
| H19 | CBA | H20 | 109.5° | 109.5° |
| H19 | CBA | H21 | 109.4° | 109.5° |
| H20 | CBA | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | NAT | H5 | 180.0° | 180.0° |
| CAU | CAV | CAW | H4 | 180.0° | 180.0° |
| CAV | CAU | NAT | CAR | 0.1° | 0.0° |
| CAU | CAV | CAW | CAQ | 0.7° | 0.0° |
| CAU | CAV | CAW | H3 | 179.3° | 179.9° |
| NAT | CAU | CAV | CAW | 0.5° | 0.0° |
| CAU | NAT | CAR | CAQ | 0.1° | 0.1° |
| CAU | NAT | CAR | CAS | 179.8° | 180.0° |
| NAT | CAU | CAV | H4 | 179.6° | 180.0° |
| CAV | CAW | CAQ | H3 | 180.0° | 179.9° |
| CAV | CAW | CAQ | CAR | 0.5° | 0.0° |
| CAV | CAW | CAQ | CAP | 179.7° | 180.0° |
| CAW | CAV | CAU | H5 | 179.5° | 180.0° |
| NAT | CAR | CAQ | CAW | 0.2° | 0.1° |
| NAT | CAR | CAQ | CAS | 179.9° | 179.9° |
| NAT | CAR | CAQ | CAP | 179.9° | 179.9° |
| NAT | CAR | CAS | NAO | 161.7° | 179.9° |
| CAR | NAT | CAU | H5 | 179.9° | 179.9° |
| NAT | CAR | CAS | H6 | 42.7° | 60.4° |
| NAT | CAR | CAS | H7 | 79.3° | 60.5° |
| CAW | CAQ | CAR | CAP | 179.8° | 180.0° |
| CAW | CAQ | CAR | CAS | 179.9° | 180.0° |
| CAW | CAQ | CAP | NAO | 161.5° | 180.0° |
| CAW | CAQ | CAP | H1 | 79.4° | 60.5° |
| CAW | CAQ | CAP | H2 | 42.4° | 60.5° |
| CAQ | CAW | CAV | H4 | 179.3° | 180.0° |
| CAQ | CAR | CAS | NAO | 18.4° | 0.0° |
| CAR | CAQ | CAP | NAO | 18.3° | 0.0° |
| CAR | CAQ | CAP | H1 | 100.9° | 119.5° |
| CAR | CAQ | CAP | H2 | 137.4° | 119.6° |
| CAR | CAQ | CAW | H3 | 179.4° | 180.0° |
| CAQ | CAR | CAS | H6 | 137.4° | 119.5° |
| CAQ | CAR | CAS | H7 | 100.6° | 119.6° |
| CAS | CAR | CAQ | CAP | 0.2° | 0.0° |
| CAR | CAS | NAO | H6 | 119.0° | 119.5° |
| CAR | CAS | NAO | H7 | 119.0° | 119.6° |
| CAR | CAS | NAO | CAP | 28.6° | 0.1° |
| CAR | CAS | NAO | CAN | 149.4° | 179.9° |
| CAR | CAS | H6 | H7 | 122.9° | 120.8° |
| CAQ | CAP | NAO | CAS | 28.8° | 0.1° |
| CAQ | CAP | NAO | H1 | 119.1° | 119.5° |
| CAQ | CAP | NAO | H2 | 119.1° | 119.6° |
| CAQ | CAP | NAO | CAN | 149.1° | 179.9° |
| CAQ | CAP | H1 | H2 | 122.6° | 121.0° |
| CAP | CAQ | CAW | H3 | 0.3° | 0.1° |
| CAS | NAO | CAP | CAN | 177.9° | 179.9° |
| CAS | NAO | CAN | OAX | 1.4° | 179.9° |
| CAS | NAO | CAN | NAM | 178.0° | 0.1° |
| CAS | NAO | CAP | H1 | 90.3° | 119.5° |
| CAS | NAO | CAP | H2 | 147.9° | 119.7° |
| NAO | CAS | H6 | H7 | 123.0° | 120.9° |
| CAP | NAO | CAN | OAX | 178.9° | 0.1° |
| CAP | NAO | CAN | NAM | 4.5° | 180.0° |
| NAO | CAP | H1 | H2 | 122.6° | 120.8° |
| CAP | NAO | CAS | H6 | 147.6° | 119.6° |
| CAP | NAO | CAS | H7 | 90.3° | 119.5° |
| NAO | CAN | OAX | NAM | 176.3° | 179.9° |
| NAO | CAN | NAM | CAL | 169.1° | 175.4° |
| CAN | NAO | CAP | H1 | 91.8° | 60.4° |
| CAN | NAO | CAP | H2 | 30.0° | 60.5° |
| CAN | NAO | CAS | H6 | 30.4° | 60.5° |
| CAN | NAO | CAS | H7 | 91.6° | 60.4° |
| NAO | CAN | NAM | H8 | 10.9° | 4.6° |
| OAX | CAN | NAM | CAL | 14.5° | 4.7° |
| OAX | CAN | NAM | H8 | 165.5° | 175.4° |
| CAN | NAM | CAL | H8 | 180.0° | 180.0° |
| CAN | NAM | CAL | CAK | 159.4° | 144.9° |
| CAN | NAM | CAL | CAY | 12.7° | 35.4° |
| NAM | CAL | CAK | CAY | 173.0° | 179.7° |
| NAM | CAL | CAK | CAJ | 176.2° | 180.0° |
| NAM | CAL | CAY | CAZ | 175.4° | 180.0° |
| NAM | CAL | CAY | H9 | 4.6° | 0.1° |
| NAM | CAL | CAK | H11 | 3.8° | 0.0° |
| CAL | CAK | CAJ | H11 | 180.0° | 180.0° |
| CAK | CAL | CAY | CAZ | 3.3° | 0.3° |
| CAL | CAK | CAJ | CAI | 1.1° | 0.1° |
| CAK | CAL | NAM | H8 | 20.6° | 35.1° |
| CAK | CAL | CAY | H9 | 176.6° | 179.8° |
| CAL | CAK | CAJ | H12 | 178.9° | 179.9° |
| CAY | CAL | CAK | CAJ | 3.2° | 0.3° |
| CAL | CAY | CAZ | H9 | 180.0° | 179.9° |
| CAL | CAY | CAZ | CAI | 1.5° | 0.1° |
| CAY | CAL | NAM | H8 | 167.3° | 144.6° |
| CAL | CAY | CAZ | H10 | 178.5° | 180.0° |
| CAY | CAL | CAK | H11 | 176.8° | 179.7° |
| CAK | CAJ | CAI | H12 | 180.0° | 179.9° |
| CAK | CAJ | CAI | CAZ | 0.9° | 0.1° |
| CAK | CAJ | CAI | CAB | 178.7° | 180.0° |
| CAY | CAZ | CAI | CAJ | 0.7° | 0.1° |
| CAY | CAZ | CAI | H10 | 180.0° | 179.9° |
| CAY | CAZ | CAI | CAB | 178.6° | 180.0° |
| CAJ | CAI | CAZ | CAB | 177.9° | 179.9° |
| CAJ | CAI | CAB | NAC | 163.5° | 179.8° |
| CAJ | CAI | CAB | CAA | 12.0° | 0.1° |
| CAJ | CAI | CAZ | H10 | 179.3° | 179.7° |
| CAI | CAJ | CAK | H11 | 178.9° | 179.9° |
| CAZ | CAI | CAB | NAC | 14.3° | 0.1° |
| CAZ | CAI | CAB | CAA | 170.2° | 179.7° |
| CAI | CAZ | CAY | H9 | 178.5° | 180.0° |
| CAZ | CAI | CAJ | H12 | 179.1° | 179.7° |
| CAI | CAB | NAC | CAA | 175.6° | 179.7° |
| CAI | CAB | NAC | NAD | 178.8° | 178.8° |
| CAI | CAB | CAA | CBA | 63.7° | 93.2° |
| CAI | CAB | CAA | CAG | 175.7° | 146.6° |
| CAB | CAI | CAZ | H10 | 1.4° | 0.1° |
| CAB | CAI | CAJ | H12 | 1.3° | 0.2° |
| CAI | CAB | CAA | H18 | 53.9° | 26.7° |
| NAC | CAB | CAA | CBA | 120.9° | 86.4° |
| NAC | CAB | CAA | CAG | 0.4° | 33.8° |
| CAB | NAC | NAD | CAH | 176.8° | 164.8° |
| CAB | NAC | NAD | CAE | 3.3° | 15.2° |
| NAC | CAB | CAA | H18 | 121.5° | 153.6° |
| CAA | CAB | NAC | NAD | 3.2° | 1.5° |
| CAB | CAA | CBA | CAG | 125.4° | 120.1° |
| CAB | CAA | CBA | H18 | 118.7° | 119.9° |
| CAB | CAA | CAG | H18 | 122.8° | 119.9° |
| CAB | CAA | CAG | CAE | 2.3° | 47.4° |
| CAB | CAA | CAG | H16 | 123.3° | 72.6° |
| CAB | CAA | CAG | H17 | 118.7° | 167.2° |
| CAB | CAA | CBA | H19 | 180.0° | 60.0° |
| CAB | CAA | CBA | H20 | 60.0° | 180.0° |
| CAB | CAA | CBA | H21 | 60.0° | 60.0° |
| NAC | NAD | CAH | CAE | 179.9° | 180.0° |
| NAC | NAD | CAE | CAG | 0.2° | 4.2° |
| NAC | NAD | CAE | OAF | 179.9° | 175.8° |
| NAC | NAD | CAH | H13 | 0.0° | 0.0° |
| NAC | NAD | CAH | H14 | 120.0° | 120.0° |
| NAC | NAD | CAH | H15 | 120.0° | 120.0° |
| CBA | CAA | CAG | H18 | 116.0° | 120.0° |
| CBA | CAA | CAG | CAE | 118.9° | 72.7° |
| CBA | CAA | CAG | H16 | 2.1° | 167.3° |
| CBA | CAA | CAG | H17 | 120.1° | 47.1° |
| CAA | CBA | H19 | H20 | 120.0° | 119.9° |
| CAA | CBA | H19 | H21 | 120.0° | 120.0° |
| CAA | CBA | H20 | H21 | 120.0° | 120.0° |
| CAA | CAG | CAE | NAD | 2.4° | 35.7° |
| CAA | CAG | CAE | H16 | 121.0° | 120.1° |
| CAA | CAG | CAE | H17 | 121.0° | 119.8° |
| CAA | CAG | CAE | OAF | 177.5° | 144.2° |
| CAA | CAG | H16 | H17 | 116.8° | 120.2° |
| CAG | CAA | CBA | H19 | 54.6° | 179.8° |
| CAG | CAA | CBA | H20 | 65.4° | 59.8° |
| CAG | CAA | CBA | H21 | 174.6° | 60.1° |
| CAH | NAD | CAE | CAG | 179.9° | 175.8° |
| CAH | NAD | CAE | OAF | 0.1° | 4.2° |
| NAD | CAH | H13 | H14 | 120.0° | 120.1° |
| NAD | CAH | H13 | H15 | 120.0° | 120.0° |
| NAD | CAH | H14 | H15 | 120.0° | 120.0° |
| NAD | CAE | CAG | OAF | 179.9° | 180.0° |
| CAE | NAD | CAH | H13 | 179.9° | 180.0° |
| CAE | NAD | CAH | H14 | 60.0° | 59.9° |
| CAE | NAD | CAH | H15 | 59.9° | 60.0° |
| NAD | CAE | CAG | H16 | 123.5° | 84.4° |
| NAD | CAE | CAG | H17 | 118.6° | 155.5° |
| CAE | CAG | H16 | H17 | 116.8° | 120.1° |
| CAE | CAG | CAA | H18 | 125.1° | 167.3° |
| OAF | CAE | CAG | H16 | 56.5° | 95.7° |
| OAF | CAE | CAG | H17 | 61.5° | 24.5° |
| H3 | CAW | CAV | H4 | 0.7° | 0.1° |
| H4 | CAV | CAU | H5 | 0.4° | 0.0° |
| H9 | CAY | CAZ | H10 | 1.5° | 0.1° |
| H11 | CAK | CAJ | H12 | 1.1° | 0.1° |
| H13 | CAH | H14 | H15 | 120.0° | 119.9° |
| H16 | CAG | CAA | H18 | 113.9° | 47.3° |
| H17 | CAG | CAA | H18 | 4.1° | 72.9° |
| H18 | CAA | CBA | H19 | 61.3° | 59.9° |
| H18 | CAA | CBA | H20 | 178.7° | 60.1° |
| H18 | CAA | CBA | H21 | 58.7° | 179.9° |
| H19 | CBA | H20 | H21 | 120.0° | 120.1° |
