392
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | OAB | sing | 1.36Å | 1.36Å | |
| CAV | CAX | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | NAR | sing | 1.40Å | 1.35Å | |
| NAR | CAS | sing | 1.35Å | 1.35Å | |
| CAS | OAA | doub | 1.22Å | 1.24Å | |
| CAS | NAQ | sing | 1.35Å | 1.34Å | |
| NAQ | CAN | sing | 1.46Å | 1.47Å | |
| CAN | CAL | sing | 1.53Å | 1.54Å | |
| CAL | CAM | sing | 1.53Å | 1.54Å | |
| CAM | NAP | sing | 1.47Å | 1.48Å | |
| NAP | CAO | sing | 1.47Å | 1.46Å | |
| CAI | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CLD | sing | 1.74Å | 1.73Å | |
| CAU | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CLC | CAT | sing | 1.74Å | 1.76Å | |
| CAW | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAO | sing | 1.51Å | 1.55Å | |
| CAT | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| NAP | H6 | sing | 1.01Å | 1.00Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAN | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| NAQ | H14 | sing | 0.97Å | 1.00Å | |
| NAR | H15 | sing | 0.97Å | 1.00Å | |
| CAH | H16 | sing | 1.08Å | 1.08Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| CAE | H18 | sing | 1.08Å | 1.08Å | |
| CAG | H19 | sing | 1.08Å | 1.08Å | |
| OAB | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAE | CAF | 119.3° | 120.2° |
| CAE | CAG | CAV | 120.6° | 120.0° |
| CAG | CAE | H18 | 120.4° | 119.9° |
| CAE | CAG | H19 | 119.7° | 120.0° |
| CAE | CAF | CAH | 120.2° | 120.1° |
| CAE | CAF | H17 | 119.9° | 120.0° |
| CAF | CAE | H18 | 120.4° | 119.9° |
| CAG | CAV | OAB | 117.0° | 120.1° |
| CAG | CAV | CAX | 120.6° | 119.8° |
| CAV | CAG | H19 | 119.7° | 120.0° |
| CAF | CAH | CAX | 121.5° | 120.0° |
| CAF | CAH | H16 | 119.2° | 120.0° |
| CAH | CAF | H17 | 119.9° | 119.9° |
| OAB | CAV | CAX | 122.3° | 120.1° |
| CAV | OAB | H20 | 109.5° | 114.0° |
| CAV | CAX | CAH | 117.8° | 119.9° |
| CAV | CAX | NAR | 126.4° | 120.1° |
| CAH | CAX | NAR | 115.8° | 120.1° |
| CAX | CAH | H16 | 119.2° | 120.0° |
| CAX | NAR | CAS | 126.0° | 120.0° |
| CAX | NAR | H15 | 117.0° | 120.0° |
| NAR | CAS | OAA | 123.4° | 120.0° |
| NAR | CAS | NAQ | 116.2° | 120.0° |
| CAS | NAR | H15 | 117.0° | 120.0° |
| OAA | CAS | NAQ | 120.3° | 120.0° |
| CAS | NAQ | CAN | 121.9° | 120.0° |
| CAS | NAQ | H14 | 119.1° | 120.0° |
| NAQ | CAN | CAL | 113.0° | 109.4° |
| NAQ | CAN | H12 | 108.3° | 109.5° |
| NAQ | CAN | H13 | 108.3° | 109.5° |
| CAN | NAQ | H14 | 119.0° | 120.0° |
| CAN | CAL | CAM | 114.1° | 109.4° |
| CAN | CAL | H10 | 108.0° | 109.5° |
| CAN | CAL | H11 | 107.9° | 109.4° |
| CAL | CAN | H12 | 108.3° | 109.5° |
| CAL | CAN | H13 | 108.3° | 109.4° |
| CAL | CAM | NAP | 106.4° | 109.5° |
| CAL | CAM | H8 | 110.5° | 109.5° |
| CAL | CAM | H9 | 110.5° | 109.5° |
| CAM | CAL | H10 | 107.9° | 109.5° |
| CAM | CAL | H11 | 108.0° | 109.5° |
| CAM | NAP | CAO | 118.9° | 111.0° |
| CAM | NAP | H6 | 106.5° | 111.0° |
| NAP | CAM | H8 | 110.5° | 109.5° |
| NAP | CAM | H9 | 110.5° | 109.4° |
| NAP | CAO | CAW | 123.6° | 109.5° |
| NAP | CAO | H4 | 105.0° | 109.5° |
| NAP | CAO | H5 | 105.0° | 109.5° |
| CAO | NAP | H6 | 106.4° | 111.0° |
| CAU | CAI | CAT | 121.4° | 120.0° |
| CAI | CAU | CLD | 120.2° | 120.0° |
| CAI | CAU | CAK | 120.8° | 120.0° |
| CAU | CAI | H2 | 119.3° | 120.0° |
| CAI | CAT | CLC | 118.6° | 120.0° |
| CAI | CAT | CAJ | 117.6° | 120.0° |
| CAT | CAI | H2 | 119.3° | 120.0° |
| CLD | CAU | CAK | 119.0° | 120.0° |
| CAU | CAK | CAW | 119.1° | 120.0° |
| CAU | CAK | H3 | 120.4° | 120.0° |
| CLC | CAT | CAJ | 123.8° | 120.0° |
| CAJ | CAW | CAK | 120.2° | 120.0° |
| CAJ | CAW | CAO | 121.6° | 120.0° |
| CAW | CAJ | CAT | 120.8° | 120.0° |
| CAW | CAJ | H1 | 119.6° | 120.0° |
| CAK | CAW | CAO | 118.0° | 120.0° |
| CAW | CAK | H3 | 120.4° | 120.0° |
| CAW | CAO | H4 | 105.0° | 109.5° |
| CAW | CAO | H5 | 105.0° | 109.5° |
| CAT | CAJ | H1 | 119.6° | 120.0° |
| H4 | CAO | H5 | 113.5° | 109.4° |
| H8 | CAM | H9 | 108.4° | 109.5° |
| H10 | CAL | H11 | 111.0° | 109.5° |
| H12 | CAN | H13 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAE | CAF | H18 | 180.0° | 179.6° |
| CAE | CAG | CAV | H19 | 180.0° | 179.7° |
| CAG | CAE | CAF | CAH | 0.2° | 0.0° |
| CAE | CAG | CAV | OAB | 179.6° | 180.0° |
| CAE | CAG | CAV | CAX | 0.1° | 0.6° |
| CAG | CAE | CAF | H17 | 179.8° | 180.0° |
| CAF | CAE | CAG | CAV | 0.1° | 0.3° |
| CAE | CAF | CAH | H17 | 180.0° | 180.0° |
| CAE | CAF | CAH | CAX | 0.5° | 0.0° |
| CAE | CAF | CAH | H16 | 179.5° | 180.0° |
| CAF | CAE | CAG | H19 | 179.9° | 180.0° |
| CAG | CAV | OAB | CAX | 179.5° | 179.5° |
| CAG | CAV | CAX | CAH | 0.2° | 0.5° |
| CAG | CAV | CAX | NAR | 179.0° | 179.7° |
| CAV | CAG | CAE | H18 | 179.9° | 179.9° |
| CAG | CAV | OAB | H20 | 150.1° | 90.0° |
| CAF | CAH | CAX | CAV | 0.5° | 0.2° |
| CAF | CAH | CAX | H16 | 180.0° | 180.0° |
| CAF | CAH | CAX | NAR | 179.4° | 180.0° |
| CAH | CAF | CAE | H18 | 179.8° | 179.6° |
| OAB | CAV | CAX | CAH | 179.3° | 180.0° |
| OAB | CAV | CAX | NAR | 0.5° | 0.3° |
| OAB | CAV | CAG | H19 | 0.4° | 0.3° |
| CAV | CAX | CAH | NAR | 178.9° | 179.7° |
| CAV | CAX | NAR | CAS | 33.5° | 154.9° |
| CAV | CAX | NAR | H15 | 146.5° | 25.1° |
| CAV | CAX | CAH | H16 | 179.5° | 179.7° |
| CAX | CAV | CAG | H19 | 179.9° | 179.7° |
| CAX | CAV | OAB | H20 | 29.4° | 90.5° |
| CAH | CAX | NAR | CAS | 145.3° | 24.8° |
| CAH | CAX | NAR | H15 | 34.7° | 155.2° |
| CAX | CAH | CAF | H17 | 179.5° | 180.0° |
| CAX | NAR | CAS | H15 | 180.0° | 180.0° |
| CAX | NAR | CAS | OAA | 5.9° | 5.6° |
| CAX | NAR | CAS | NAQ | 175.6° | 174.3° |
| NAR | CAX | CAH | H16 | 0.6° | 0.0° |
| NAR | CAS | OAA | NAQ | 178.4° | 180.0° |
| NAR | CAS | NAQ | CAN | 178.6° | 180.0° |
| NAR | CAS | NAQ | H14 | 1.3° | 0.0° |
| OAA | CAS | NAQ | CAN | 0.1° | 0.0° |
| OAA | CAS | NAQ | H14 | 179.9° | 180.0° |
| OAA | CAS | NAR | H15 | 174.1° | 174.4° |
| CAS | NAQ | CAN | H14 | 180.0° | 180.0° |
| CAS | NAQ | CAN | CAL | 168.4° | 180.0° |
| CAS | NAQ | CAN | H12 | 71.6° | 60.0° |
| CAS | NAQ | CAN | H13 | 48.4° | 60.0° |
| NAQ | CAS | NAR | H15 | 4.4° | 5.6° |
| NAQ | CAN | CAL | H12 | 120.0° | 120.0° |
| NAQ | CAN | CAL | H13 | 120.0° | 120.0° |
| NAQ | CAN | CAL | CAM | 67.1° | 180.0° |
| NAQ | CAN | CAL | H10 | 52.8° | 60.0° |
| NAQ | CAN | CAL | H11 | 172.8° | 60.0° |
| NAQ | CAN | H12 | H13 | 118.6° | 120.0° |
| CAN | CAL | CAM | H10 | 120.0° | 120.0° |
| CAN | CAL | CAM | H11 | 120.0° | 119.9° |
| CAN | CAL | CAM | NAP | 169.5° | 180.0° |
| CAN | CAL | CAM | H8 | 49.5° | 60.0° |
| CAN | CAL | CAM | H9 | 70.5° | 60.1° |
| CAN | CAL | H10 | H11 | 118.1° | 120.0° |
| CAL | CAN | H12 | H13 | 118.5° | 120.0° |
| CAL | CAN | NAQ | H14 | 11.6° | 0.0° |
| CAL | CAM | NAP | H8 | 120.0° | 120.0° |
| CAL | CAM | NAP | H9 | 120.0° | 120.0° |
| CAL | CAM | NAP | CAO | 173.1° | 180.0° |
| CAL | CAM | NAP | H6 | 66.9° | 56.1° |
| CAL | CAM | H8 | H9 | 121.2° | 120.0° |
| CAM | CAL | H10 | H11 | 118.1° | 120.0° |
| CAM | CAL | CAN | H12 | 172.9° | 60.0° |
| CAM | CAL | CAN | H13 | 52.9° | 60.0° |
| CAM | NAP | CAO | H6 | 120.0° | 124.0° |
| CAM | NAP | CAO | CAW | 30.7° | 180.0° |
| CAM | NAP | CAO | H4 | 150.7° | 60.0° |
| CAM | NAP | CAO | H5 | 89.3° | 60.0° |
| NAP | CAM | H8 | H9 | 121.3° | 120.0° |
| NAP | CAM | CAL | H10 | 70.5° | 60.0° |
| NAP | CAM | CAL | H11 | 49.5° | 60.1° |
| NAP | CAO | CAW | CAJ | 109.0° | 90.0° |
| NAP | CAO | CAW | CAK | 75.4° | 89.8° |
| NAP | CAO | CAW | H4 | 120.0° | 120.0° |
| NAP | CAO | CAW | H5 | 120.0° | 120.0° |
| NAP | CAO | H4 | H5 | 114.2° | 120.0° |
| CAO | NAP | CAM | H8 | 53.1° | 60.0° |
| CAO | NAP | CAM | H9 | 66.9° | 60.0° |
| CAU | CAI | CAT | H2 | 180.0° | 180.0° |
| CAI | CAU | CLD | CAK | 179.3° | 180.0° |
| CAU | CAI | CAT | CLC | 179.8° | 180.0° |
| CAI | CAU | CAK | CAW | 1.6° | 0.2° |
| CAU | CAI | CAT | CAJ | 0.3° | 0.0° |
| CAI | CAU | CAK | H3 | 178.4° | 179.9° |
| CAT | CAI | CAU | CLD | 179.3° | 180.0° |
| CAT | CAI | CAU | CAK | 0.1° | 0.0° |
| CAI | CAT | CLC | CAJ | 179.8° | 180.0° |
| CAI | CAT | CAJ | CAW | 0.7° | 0.3° |
| CAI | CAT | CAJ | H1 | 179.3° | 180.0° |
| CLD | CAU | CAK | CAW | 179.2° | 179.7° |
| CLD | CAU | CAI | H2 | 0.7° | 0.1° |
| CLD | CAU | CAK | H3 | 0.8° | 0.1° |
| CAU | CAK | CAW | CAJ | 2.6° | 0.5° |
| CAU | CAK | CAW | H3 | 180.0° | 179.8° |
| CAU | CAK | CAW | CAO | 178.2° | 179.8° |
| CAK | CAU | CAI | H2 | 179.9° | 180.0° |
| CLC | CAT | CAJ | CAW | 179.1° | 179.7° |
| CLC | CAT | CAJ | H1 | 0.9° | 0.0° |
| CLC | CAT | CAI | H2 | 0.2° | 0.0° |
| CAJ | CAW | CAK | CAO | 175.7° | 179.8° |
| CAW | CAJ | CAT | H1 | 180.0° | 179.7° |
| CAJ | CAW | CAK | H3 | 177.4° | 179.7° |
| CAJ | CAW | CAO | H4 | 11.0° | 150.0° |
| CAJ | CAW | CAO | H5 | 131.0° | 30.0° |
| CAK | CAW | CAJ | CAT | 2.2° | 0.5° |
| CAK | CAW | CAJ | H1 | 177.8° | 179.8° |
| CAK | CAW | CAO | H4 | 164.6° | 30.2° |
| CAK | CAW | CAO | H5 | 44.6° | 150.2° |
| CAO | CAW | CAJ | CAT | 177.7° | 179.7° |
| CAO | CAW | CAJ | H1 | 2.3° | 0.0° |
| CAO | CAW | CAK | H3 | 1.7° | 0.1° |
| CAW | CAO | H4 | H5 | 114.2° | 120.0° |
| CAW | CAO | NAP | H6 | 89.3° | 56.0° |
| CAJ | CAT | CAI | H2 | 179.6° | 180.0° |
| H4 | CAO | NAP | H6 | 30.7° | 64.0° |
| H5 | CAO | NAP | H6 | 150.7° | 176.0° |
| H6 | NAP | CAM | H8 | 173.1° | 64.0° |
| H6 | NAP | CAM | H9 | 53.1° | 176.0° |
| H8 | CAM | CAL | H10 | 169.5° | 180.0° |
| H8 | CAM | CAL | H11 | 70.5° | 60.0° |
| H9 | CAM | CAL | H10 | 49.5° | 59.9° |
| H9 | CAM | CAL | H11 | 169.5° | 180.0° |
| H10 | CAL | CAN | H12 | 67.2° | NaN° |
| H10 | CAL | CAN | H13 | 172.8° | 59.9° |
| H11 | CAL | CAN | H12 | 52.8° | 59.9° |
| H11 | CAL | CAN | H13 | 67.2° | 180.0° |
| H12 | CAN | NAQ | H14 | 108.3° | 119.9° |
| H13 | CAN | NAQ | H14 | 131.6° | 120.0° |
| H16 | CAH | CAF | H17 | 0.6° | 0.0° |
| H17 | CAF | CAE | H18 | 0.2° | 0.4° |
| H18 | CAE | CAG | H19 | 0.1° | 0.3° |
