W7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAQ | doub | 1.36Å | 1.38Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAR | sing | 1.41Å | 1.38Å | Aromatic |
| CAV | CAR | doub | 1.40Å | 1.42Å | Aromatic |
| CAV | CAW | sing | 1.36Å | 1.36Å | Aromatic |
| CAR | CAS | sing | 1.42Å | 1.40Å | Aromatic |
| CAO | CAN | doub | 1.36Å | 1.41Å | Aromatic |
| CAW | CAT | doub | 1.39Å | 1.42Å | Aromatic |
| CAS | CAN | sing | 1.41Å | 1.43Å | Aromatic |
| CAS | CAU | doub | 1.40Å | 1.37Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.49Å | |
| CAT | CAU | sing | 1.36Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.53Å | 1.56Å | |
| CAL | C5 | sing | 1.51Å | 1.47Å | |
| O6 | C6 | doub | 1.22Å | 1.25Å | |
| C5 | C6 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | doub | 1.36Å | 1.38Å | |
| C6 | N1 | sing | 1.35Å | 1.42Å | |
| C4 | CAI | sing | 1.48Å | 1.51Å | |
| C4 | N3 | sing | 1.38Å | 1.43Å | |
| CAI | OAK | doub | 1.21Å | 1.27Å | |
| CAI | OAJ | sing | 1.35Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.32Å | |
| N3 | C2 | sing | 1.34Å | 1.41Å | |
| C2 | O2 | doub | 1.22Å | 1.27Å | |
| OAJ | H1 | sing | 0.97Å | 0.95Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAW | H10 | sing | 1.08Å | 1.08Å | |
| CAV | H11 | sing | 1.08Å | 1.08Å | |
| CAQ | H12 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAP | CAO | 114.9° | 121.0° |
| CAP | CAQ | CAR | 125.2° | 119.7° |
| CAP | CAQ | H12 | 117.4° | 120.2° |
| CAQ | CAP | H13 | 122.5° | 119.5° |
| CAP | CAO | CAN | 123.8° | 121.0° |
| CAO | CAP | H13 | 122.6° | 119.5° |
| CAP | CAO | H14 | 118.1° | 119.5° |
| CAQ | CAR | CAV | 121.1° | 121.3° |
| CAQ | CAR | CAS | 119.1° | 119.3° |
| CAR | CAQ | H12 | 117.4° | 120.2° |
| CAR | CAV | CAW | 119.0° | 119.7° |
| CAV | CAR | CAS | 119.4° | 119.4° |
| CAR | CAV | H11 | 120.5° | 120.1° |
| CAV | CAW | CAT | 121.8° | 121.0° |
| CAV | CAW | H10 | 119.1° | 119.5° |
| CAW | CAV | H11 | 120.5° | 120.2° |
| CAR | CAS | CAN | 117.9° | 119.3° |
| CAR | CAS | CAU | 121.0° | 119.3° |
| CAO | CAN | CAS | 118.6° | 119.7° |
| CAO | CAN | CAM | 118.6° | 120.2° |
| CAN | CAO | H14 | 118.1° | 119.5° |
| CAW | CAT | CAU | 118.5° | 120.9° |
| CAW | CAT | H9 | 120.8° | 119.5° |
| CAT | CAW | H10 | 119.1° | 119.5° |
| CAN | CAS | CAU | 121.0° | 121.3° |
| CAS | CAN | CAM | 122.8° | 120.1° |
| CAS | CAU | CAT | 119.8° | 119.7° |
| CAS | CAU | H8 | 120.1° | 120.2° |
| CAN | CAM | CAL | 109.3° | 109.4° |
| CAN | CAM | H6 | 109.5° | 109.5° |
| CAN | CAM | H7 | 109.5° | 109.5° |
| CAT | CAU | H8 | 120.1° | 120.1° |
| CAU | CAT | H9 | 120.8° | 119.5° |
| CAM | CAL | C5 | 110.8° | 109.4° |
| CAM | CAL | H4 | 109.1° | 109.4° |
| CAM | CAL | H5 | 109.1° | 109.5° |
| CAL | CAM | H6 | 109.5° | 109.4° |
| CAL | CAM | H7 | 109.5° | 109.5° |
| CAL | C5 | C6 | 119.8° | 120.8° |
| CAL | C5 | C4 | 121.7° | 120.8° |
| C5 | CAL | H4 | 109.1° | 109.5° |
| C5 | CAL | H5 | 109.2° | 109.5° |
| O6 | C6 | C5 | 125.5° | 120.6° |
| O6 | C6 | N1 | 116.4° | 120.6° |
| C6 | C5 | C4 | 118.5° | 118.4° |
| C5 | C6 | N1 | 118.0° | 118.8° |
| C5 | C4 | CAI | 122.7° | 120.3° |
| C5 | C4 | N3 | 120.0° | 119.4° |
| C6 | N1 | C2 | 123.2° | 120.5° |
| C6 | N1 | H2 | 118.4° | 119.8° |
| CAI | C4 | N3 | 117.0° | 120.3° |
| C4 | CAI | OAK | 114.8° | 120.0° |
| C4 | CAI | OAJ | 112.8° | 120.0° |
| C4 | N3 | C2 | 120.3° | 121.2° |
| C4 | N3 | H15 | 119.9° | 119.4° |
| OAK | CAI | OAJ | 130.3° | 120.0° |
| CAI | OAJ | H1 | 109.5° | 117.0° |
| N1 | C2 | N3 | 119.5° | 121.7° |
| N1 | C2 | O2 | 122.5° | 119.1° |
| C2 | N1 | H2 | 118.4° | 119.7° |
| N3 | C2 | O2 | 117.8° | 119.1° |
| C2 | N3 | H15 | 119.8° | 119.4° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H6 | CAM | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAP | CAO | H13 | 180.0° | 179.9° |
| CAP | CAQ | CAR | H12 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAV | 178.9° | 180.0° |
| CAP | CAQ | CAR | CAS | 8.1° | 0.0° |
| CAQ | CAP | CAO | CAN | 2.6° | 0.4° |
| CAQ | CAP | CAO | H14 | 177.4° | 180.0° |
| CAO | CAP | CAQ | CAR | 8.4° | 0.2° |
| CAP | CAO | CAN | H14 | 180.0° | 179.6° |
| CAP | CAO | CAN | CAS | 2.9° | 0.5° |
| CAP | CAO | CAN | CAM | 178.8° | 179.9° |
| CAO | CAP | CAQ | H12 | 171.6° | 179.9° |
| CAQ | CAR | CAV | CAS | 172.9° | 180.0° |
| CAQ | CAR | CAV | CAW | 179.2° | 179.9° |
| CAQ | CAR | CAS | CAN | 1.8° | 0.0° |
| CAQ | CAR | CAS | CAU | 179.4° | 179.9° |
| CAQ | CAR | CAV | H11 | 0.8° | 0.0° |
| CAR | CAQ | CAP | H13 | 171.6° | 180.0° |
| CAR | CAV | CAW | H11 | 180.0° | 179.9° |
| CAR | CAV | CAW | CAT | 6.5° | 0.1° |
| CAV | CAR | CAS | CAN | 174.9° | 180.0° |
| CAV | CAR | CAS | CAU | 6.4° | 0.1° |
| CAR | CAV | CAW | H10 | 173.5° | 180.0° |
| CAV | CAR | CAQ | H12 | 1.1° | 0.0° |
| CAW | CAV | CAR | CAS | 7.9° | 0.1° |
| CAV | CAW | CAT | H10 | 180.0° | 179.9° |
| CAV | CAW | CAT | CAU | 3.4° | 0.1° |
| CAV | CAW | CAT | H9 | 176.6° | 179.9° |
| CAR | CAS | CAN | CAO | 3.3° | 0.3° |
| CAR | CAS | CAN | CAU | 178.7° | 180.0° |
| CAR | CAS | CAN | CAM | 178.5° | 179.9° |
| CAR | CAS | CAU | CAT | 3.3° | 0.0° |
| CAR | CAS | CAU | H8 | 176.7° | 180.0° |
| CAS | CAR | CAV | H11 | 172.1° | 180.0° |
| CAS | CAR | CAQ | H12 | 171.8° | 179.9° |
| CAO | CAN | CAS | CAM | 178.2° | 179.6° |
| CAO | CAN | CAS | CAU | 175.5° | 179.7° |
| CAO | CAN | CAM | CAL | 99.2° | 95.3° |
| CAO | CAN | CAM | H6 | 140.9° | 144.7° |
| CAO | CAN | CAM | H7 | 20.8° | 24.6° |
| CAN | CAO | CAP | H13 | 177.4° | 179.7° |
| CAW | CAT | CAU | CAS | 1.7° | 0.0° |
| CAW | CAT | CAU | H9 | 180.0° | 180.0° |
| CAW | CAT | CAU | H8 | 178.4° | 180.0° |
| CAT | CAW | CAV | H11 | 173.5° | 180.0° |
| CAN | CAS | CAU | CAT | 178.0° | 180.0° |
| CAS | CAN | CAM | CAL | 82.7° | 85.0° |
| CAS | CAN | CAM | H6 | 37.3° | 34.9° |
| CAS | CAN | CAM | H7 | 157.4° | 155.0° |
| CAN | CAS | CAU | H8 | 2.0° | 0.0° |
| CAS | CAN | CAO | H14 | 177.1° | 179.9° |
| CAU | CAS | CAN | CAM | 2.7° | 0.0° |
| CAS | CAU | CAT | H8 | 180.0° | 179.9° |
| CAS | CAU | CAT | H9 | 178.3° | 180.0° |
| CAN | CAM | CAL | H6 | 120.0° | 120.0° |
| CAN | CAM | CAL | H7 | 119.9° | 120.0° |
| CAN | CAM | CAL | C5 | 163.5° | 180.0° |
| CAN | CAM | CAL | H4 | 76.3° | 60.0° |
| CAN | CAM | CAL | H5 | 43.3° | 60.0° |
| CAN | CAM | H6 | H7 | 120.1° | 120.1° |
| CAM | CAN | CAO | H14 | 1.2° | 0.3° |
| CAU | CAT | CAW | H10 | 176.6° | 180.0° |
| CAM | CAL | C5 | H4 | 120.2° | 119.9° |
| CAM | CAL | C5 | H5 | 120.2° | 120.0° |
| CAM | CAL | C5 | C6 | 64.3° | 83.2° |
| CAM | CAL | C5 | C4 | 115.9° | 96.4° |
| CAM | CAL | H4 | H5 | 119.4° | 120.0° |
| CAL | CAM | H6 | H7 | 120.1° | 120.0° |
| CAL | C5 | C6 | O6 | 2.3° | 0.1° |
| CAL | C5 | C6 | C4 | 179.8° | 179.6° |
| CAL | C5 | C6 | N1 | 173.0° | 180.0° |
| CAL | C5 | C4 | CAI | 0.1° | 0.2° |
| CAL | C5 | C4 | N3 | 173.9° | 179.9° |
| C5 | CAL | H4 | H5 | 119.4° | 120.0° |
| C5 | CAL | CAM | H6 | 43.5° | 60.0° |
| C5 | CAL | CAM | H7 | 76.6° | 60.0° |
| O6 | C6 | C5 | N1 | 175.3° | 179.9° |
| O6 | C6 | C5 | C4 | 177.5° | 179.7° |
| O6 | C6 | N1 | C2 | 178.1° | 180.0° |
| O6 | C6 | N1 | H2 | 1.9° | 0.1° |
| C6 | C5 | C4 | CAI | 179.9° | 179.9° |
| C6 | C5 | C4 | N3 | 6.3° | 0.5° |
| C5 | C6 | N1 | C2 | 2.4° | 0.1° |
| C5 | C6 | N1 | H2 | 177.7° | 179.8° |
| C6 | C5 | CAL | H4 | 55.9° | 36.7° |
| C6 | C5 | CAL | H5 | 175.5° | 156.7° |
| C4 | C5 | C6 | N1 | 7.2° | 0.4° |
| C5 | C4 | CAI | N3 | 174.0° | 179.7° |
| C5 | C4 | CAI | OAK | 69.9° | 5.7° |
| C5 | C4 | CAI | OAJ | 124.7° | 174.3° |
| C5 | C4 | N3 | C2 | 0.7° | 0.3° |
| C4 | C5 | CAL | H4 | 123.9° | 143.7° |
| C4 | C5 | CAL | H5 | 4.3° | 23.6° |
| C5 | C4 | N3 | H15 | 179.3° | 179.8° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 3.4° | 0.0° |
| C6 | N1 | C2 | O2 | 179.0° | 179.9° |
| C4 | CAI | OAK | OAJ | 162.2° | 180.0° |
| CAI | C4 | N3 | C2 | 174.8° | 180.0° |
| C4 | CAI | OAJ | H1 | 162.5° | 180.0° |
| CAI | C4 | N3 | H15 | 5.2° | 0.1° |
| N3 | C4 | CAI | OAK | 116.1° | 174.7° |
| N3 | C4 | CAI | OAJ | 49.2° | 5.3° |
| C4 | N3 | C2 | N1 | 4.3° | 0.1° |
| C4 | N3 | C2 | H15 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 179.8° | 180.0° |
| OAK | CAI | OAJ | H1 | 0.0° | 0.0° |
| N1 | C2 | N3 | O2 | 175.8° | 180.0° |
| N1 | C2 | N3 | H15 | 175.6° | 179.9° |
| N3 | C2 | N1 | H2 | 176.6° | 179.9° |
| O2 | C2 | N1 | H2 | 1.0° | 0.0° |
| O2 | C2 | N3 | H15 | 0.2° | 0.1° |
| H4 | CAL | CAM | H6 | 163.7° | 180.0° |
| H4 | CAL | CAM | H7 | 43.6° | 60.0° |
| H5 | CAL | CAM | H6 | 76.7° | 60.0° |
| H5 | CAL | CAM | H7 | 163.2° | 180.0° |
| H8 | CAU | CAT | H9 | 1.7° | 0.0° |
| H9 | CAT | CAW | H10 | 3.4° | 0.1° |
| H10 | CAW | CAV | H11 | 6.5° | 0.1° |
| H12 | CAQ | CAP | H13 | 8.4° | 0.0° |
| H13 | CAP | CAO | H14 | 2.6° | 0.1° |
