387
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAT | sing | 1.36Å | 1.36Å | |
| CAF | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAX | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | NAR | sing | 1.40Å | 1.36Å | |
| NAR | CAS | sing | 1.35Å | 1.35Å | |
| OAA | CAS | doub | 1.22Å | 1.23Å | |
| CAS | NAQ | sing | 1.35Å | 1.33Å | |
| NAQ | CAN | sing | 1.46Å | 1.47Å | |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| CAL | CAM | sing | 1.53Å | 1.55Å | |
| CAM | NAP | sing | 1.47Å | 1.48Å | |
| NAP | CAO | sing | 1.47Å | 1.47Å | |
| CLD | CAV | sing | 1.74Å | 1.73Å | |
| CAW | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAW | CAO | sing | 1.51Å | 1.54Å | |
| CAV | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CLC | sing | 1.74Å | 1.75Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| NAQ | H11 | sing | 0.97Å | 1.00Å | |
| NAR | H12 | sing | 0.97Å | 1.00Å | |
| CAK | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CAE | H15 | sing | 1.08Å | 1.08Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| OAB | H17 | sing | 0.97Å | 0.95Å | |
| CAO | H18 | sing | 1.09Å | 1.10Å | |
| NAP | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAT | CAF | 119.9° | 120.0° |
| OAB | CAT | CAK | 119.9° | 120.0° |
| CAT | OAB | H17 | 109.5° | 114.0° |
| CAT | CAF | CAE | 119.0° | 120.1° |
| CAF | CAT | CAK | 120.2° | 120.0° |
| CAT | CAF | H16 | 120.5° | 120.0° |
| CAF | CAE | CAG | 120.3° | 120.1° |
| CAF | CAE | H15 | 119.8° | 119.9° |
| CAE | CAF | H16 | 120.5° | 119.9° |
| CAT | CAK | CAX | 121.6° | 119.9° |
| CAT | CAK | H13 | 119.2° | 120.1° |
| CAE | CAG | CAX | 121.4° | 120.1° |
| CAE | CAG | H14 | 119.3° | 120.0° |
| CAG | CAE | H15 | 119.8° | 120.0° |
| CAK | CAX | CAG | 117.5° | 119.9° |
| CAK | CAX | NAR | 124.5° | 120.0° |
| CAX | CAK | H13 | 119.2° | 120.1° |
| CAG | CAX | NAR | 118.0° | 120.1° |
| CAX | CAG | H14 | 119.3° | 119.9° |
| CAX | NAR | CAS | 125.9° | 120.0° |
| CAX | NAR | H12 | 117.0° | 120.0° |
| NAR | CAS | OAA | 123.8° | 120.0° |
| NAR | CAS | NAQ | 116.7° | 120.0° |
| CAS | NAR | H12 | 117.0° | 120.0° |
| OAA | CAS | NAQ | 119.4° | 120.0° |
| CAS | NAQ | CAN | 121.1° | 120.0° |
| CAS | NAQ | H11 | 119.5° | 120.0° |
| NAQ | CAN | CAL | 112.6° | 109.4° |
| NAQ | CAN | H9 | 108.4° | 109.5° |
| NAQ | CAN | H10 | 108.4° | 109.5° |
| CAN | NAQ | H11 | 119.5° | 120.0° |
| CAN | CAL | CAM | 115.7° | 109.4° |
| CAN | CAL | H7 | 107.4° | 109.4° |
| CAN | CAL | H8 | 107.4° | 109.5° |
| CAL | CAN | H9 | 108.4° | 109.4° |
| CAL | CAN | H10 | 108.4° | 109.5° |
| CAL | CAM | NAP | 105.8° | 109.5° |
| CAL | CAM | H5 | 110.7° | 109.4° |
| CAL | CAM | H6 | 110.7° | 109.5° |
| CAM | CAL | H7 | 107.4° | 109.5° |
| CAM | CAL | H8 | 107.5° | 109.5° |
| CAM | NAP | CAO | 120.3° | 111.0° |
| NAP | CAM | H5 | 110.7° | 109.5° |
| NAP | CAM | H6 | 110.7° | 109.5° |
| CAM | NAP | H19 | 106.0° | 111.0° |
| NAP | CAO | CAW | 124.4° | 109.5° |
| NAP | CAO | H4 | 104.8° | 109.5° |
| NAP | CAO | H18 | 104.8° | 109.4° |
| CAO | NAP | H19 | 106.0° | 111.0° |
| CLD | CAV | CAH | 118.4° | 120.0° |
| CLD | CAV | CAJ | 121.0° | 120.1° |
| CAJ | CAW | CAI | 120.2° | 120.0° |
| CAJ | CAW | CAO | 120.7° | 120.0° |
| CAW | CAJ | CAV | 118.7° | 120.1° |
| CAW | CAJ | H3 | 120.7° | 120.0° |
| CAI | CAW | CAO | 119.0° | 120.0° |
| CAW | CAI | CAU | 120.9° | 120.0° |
| CAW | CAI | H1 | 119.6° | 120.1° |
| CAW | CAO | H4 | 104.7° | 109.5° |
| CAW | CAO | H18 | 104.8° | 109.5° |
| CAH | CAV | CAJ | 120.6° | 120.0° |
| CAV | CAH | CAU | 121.5° | 120.0° |
| CAV | CAH | H2 | 119.2° | 120.0° |
| CAV | CAJ | H3 | 120.6° | 120.0° |
| CAH | CAU | CAI | 118.1° | 120.0° |
| CAH | CAU | CLC | 118.7° | 120.1° |
| CAU | CAH | H2 | 119.2° | 120.0° |
| CAI | CAU | CLC | 123.3° | 120.0° |
| CAU | CAI | H1 | 119.6° | 120.0° |
| H4 | CAO | H18 | 113.8° | 109.4° |
| H5 | CAM | H6 | 108.2° | 109.5° |
| H7 | CAL | H8 | 111.4° | 109.5° |
| H9 | CAN | H10 | 110.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAT | CAF | CAK | 179.9° | 179.8° |
| OAB | CAT | CAF | CAE | 179.9° | 180.0° |
| OAB | CAT | CAK | CAX | 179.4° | 179.7° |
| OAB | CAT | CAK | H13 | 0.6° | 0.2° |
| OAB | CAT | CAF | H16 | 0.1° | 0.2° |
| CAT | CAF | CAE | H16 | 180.0° | 179.8° |
| CAT | CAF | CAE | CAG | 0.6° | 0.2° |
| CAF | CAT | CAK | CAX | 0.5° | 0.1° |
| CAF | CAT | CAK | H13 | 179.5° | 180.0° |
| CAT | CAF | CAE | H15 | 179.5° | 179.8° |
| CAF | CAT | OAB | H17 | 180.0° | 90.0° |
| CAE | CAF | CAT | CAK | 0.2° | 0.2° |
| CAF | CAE | CAG | H15 | 180.0° | 180.0° |
| CAF | CAE | CAG | CAX | 0.2° | 0.0° |
| CAF | CAE | CAG | H14 | 179.9° | 180.0° |
| CAT | CAK | CAX | H13 | 180.0° | 180.0° |
| CAT | CAK | CAX | CAG | 0.9° | 0.3° |
| CAT | CAK | CAX | NAR | 178.1° | 180.0° |
| CAK | CAT | CAF | H16 | 179.8° | 180.0° |
| CAK | CAT | OAB | H17 | 0.1° | 89.7° |
| CAE | CAG | CAX | CAK | 0.6° | 0.3° |
| CAE | CAG | CAX | H14 | 180.0° | 179.9° |
| CAE | CAG | CAX | NAR | 177.9° | 180.0° |
| CAG | CAE | CAF | H16 | 179.5° | 180.0° |
| CAK | CAX | CAG | NAR | 177.3° | 179.7° |
| CAK | CAX | NAR | CAS | 20.5° | 35.1° |
| CAK | CAX | NAR | H12 | 159.5° | 144.9° |
| CAK | CAX | CAG | H14 | 179.4° | 179.8° |
| CAG | CAX | NAR | CAS | 156.6° | 145.2° |
| CAG | CAX | NAR | H12 | 23.4° | 34.8° |
| CAG | CAX | CAK | H13 | 179.1° | 179.8° |
| CAX | CAG | CAE | H15 | 179.9° | 180.0° |
| CAX | NAR | CAS | H12 | 180.0° | 179.9° |
| CAX | NAR | CAS | OAA | 9.3° | 4.6° |
| CAX | NAR | CAS | NAQ | 173.8° | 175.3° |
| NAR | CAX | CAK | H13 | 1.9° | 0.1° |
| NAR | CAX | CAG | H14 | 2.1° | 0.1° |
| NAR | CAS | OAA | NAQ | 176.9° | 180.0° |
| NAR | CAS | NAQ | CAN | 177.8° | 180.0° |
| NAR | CAS | NAQ | H11 | 2.2° | 0.0° |
| OAA | CAS | NAQ | CAN | 0.7° | 0.1° |
| OAA | CAS | NAQ | H11 | 179.3° | 180.0° |
| OAA | CAS | NAR | H12 | 170.7° | 175.4° |
| CAS | NAQ | CAN | H11 | 180.0° | 179.9° |
| CAS | NAQ | CAN | CAL | 167.8° | 180.0° |
| CAS | NAQ | CAN | H9 | 72.2° | 60.1° |
| CAS | NAQ | CAN | H10 | 47.8° | 60.0° |
| NAQ | CAS | NAR | H12 | 6.2° | 4.6° |
| NAQ | CAN | CAL | H9 | 120.0° | 120.0° |
| NAQ | CAN | CAL | H10 | 120.0° | 120.0° |
| NAQ | CAN | CAL | CAM | 55.9° | 180.0° |
| NAQ | CAN | CAL | H7 | 64.1° | 60.0° |
| NAQ | CAN | CAL | H8 | 175.9° | 60.0° |
| NAQ | CAN | H9 | H10 | 118.7° | 120.1° |
| CAN | CAL | CAM | H7 | 120.0° | 119.9° |
| CAN | CAL | CAM | H8 | 120.0° | 120.0° |
| CAN | CAL | CAM | NAP | 170.1° | 180.0° |
| CAN | CAL | CAM | H5 | 50.1° | 60.0° |
| CAN | CAL | CAM | H6 | 69.9° | 60.0° |
| CAN | CAL | H7 | H8 | 117.4° | 120.0° |
| CAL | CAN | H9 | H10 | 118.7° | 120.0° |
| CAL | CAN | NAQ | H11 | 12.2° | 0.1° |
| CAL | CAM | NAP | H5 | 120.0° | 120.0° |
| CAL | CAM | NAP | H6 | 120.0° | 120.0° |
| CAL | CAM | NAP | CAO | 178.8° | 180.0° |
| CAL | CAM | H5 | H6 | 121.5° | 120.0° |
| CAM | CAL | H7 | H8 | 117.5° | 120.1° |
| CAM | CAL | CAN | H9 | 175.9° | 60.1° |
| CAM | CAL | CAN | H10 | 64.1° | 60.0° |
| CAL | CAM | NAP | H19 | 58.8° | 56.0° |
| CAM | NAP | CAO | H19 | 120.0° | 124.0° |
| CAM | NAP | CAO | CAW | 12.1° | 180.0° |
| CAM | NAP | CAO | H4 | 132.1° | 60.0° |
| NAP | CAM | H5 | H6 | 121.5° | 120.0° |
| NAP | CAM | CAL | H7 | 69.9° | 60.1° |
| NAP | CAM | CAL | H8 | 50.2° | 60.0° |
| CAM | NAP | CAO | H18 | 107.9° | 60.0° |
| NAP | CAO | CAW | CAJ | 64.3° | 90.0° |
| NAP | CAO | CAW | CAI | 120.4° | 90.5° |
| NAP | CAO | CAW | H4 | 120.0° | 120.0° |
| NAP | CAO | CAW | H18 | 120.0° | 120.0° |
| NAP | CAO | H4 | H18 | 113.8° | 120.0° |
| CAO | NAP | CAM | H5 | 61.2° | 60.0° |
| CAO | NAP | CAM | H6 | 58.8° | 60.0° |
| CLD | CAV | CAJ | CAW | 178.7° | 179.7° |
| CLD | CAV | CAH | CAJ | 179.7° | 179.9° |
| CLD | CAV | CAH | CAU | 179.6° | 180.0° |
| CLD | CAV | CAH | H2 | 0.4° | 0.1° |
| CLD | CAV | CAJ | H3 | 1.3° | 0.1° |
| CAJ | CAW | CAI | CAO | 175.3° | 179.5° |
| CAW | CAJ | CAV | CAH | 1.6° | 0.2° |
| CAW | CAJ | CAV | H3 | 180.0° | 179.8° |
| CAJ | CAW | CAI | CAU | 3.0° | 0.5° |
| CAJ | CAW | CAI | H1 | 177.1° | 179.8° |
| CAJ | CAW | CAO | H4 | 175.7° | 150.0° |
| CAJ | CAW | CAO | H18 | 55.7° | 30.0° |
| CAI | CAW | CAJ | CAV | 3.1° | 0.5° |
| CAW | CAI | CAU | CAH | 1.2° | 0.3° |
| CAW | CAI | CAU | H1 | 180.0° | 179.7° |
| CAW | CAI | CAU | CLC | 179.2° | 179.7° |
| CAI | CAW | CAJ | H3 | 176.9° | 179.7° |
| CAI | CAW | CAO | H4 | 0.4° | 29.6° |
| CAI | CAW | CAO | H18 | 119.6° | 149.5° |
| CAO | CAW | CAJ | CAV | 178.3° | 180.0° |
| CAO | CAW | CAI | CAU | 178.2° | 180.0° |
| CAO | CAW | CAI | H1 | 1.8° | 0.3° |
| CAO | CAW | CAJ | H3 | 1.7° | 0.2° |
| CAW | CAO | H4 | H18 | 113.8° | 120.0° |
| CAW | CAO | NAP | H19 | 107.9° | 56.0° |
| CAV | CAH | CAU | H2 | 180.0° | 180.0° |
| CAV | CAH | CAU | CAI | 0.3° | 0.0° |
| CAV | CAH | CAU | CLC | 179.3° | 180.0° |
| CAH | CAV | CAJ | H3 | 178.4° | 180.0° |
| CAJ | CAV | CAH | CAU | 0.1° | 0.1° |
| CAJ | CAV | CAH | H2 | 179.9° | 180.0° |
| CAH | CAU | CAI | CLC | 179.5° | 180.0° |
| CAH | CAU | CAI | H1 | 178.8° | 180.0° |
| CAI | CAU | CAH | H2 | 179.7° | 180.0° |
| CLC | CAU | CAI | H1 | 0.8° | 0.0° |
| CLC | CAU | CAH | H2 | 0.7° | 0.0° |
| H4 | CAO | NAP | H19 | 12.1° | 64.0° |
| H5 | CAM | CAL | H7 | 170.1° | 179.9° |
| H5 | CAM | CAL | H8 | 69.8° | 60.0° |
| H5 | CAM | NAP | H19 | 178.8° | 64.0° |
| H6 | CAM | CAL | H7 | 50.1° | 60.0° |
| H6 | CAM | CAL | H8 | 170.1° | 180.0° |
| H6 | CAM | NAP | H19 | 61.2° | 176.0° |
| H7 | CAL | CAN | H9 | 55.9° | 180.0° |
| H7 | CAL | CAN | H10 | 175.9° | 60.0° |
| H8 | CAL | CAN | H9 | 64.1° | 60.0° |
| H8 | CAL | CAN | H10 | 55.9° | 180.0° |
| H9 | CAN | NAQ | H11 | 107.8° | 120.0° |
| H10 | CAN | NAQ | H11 | 132.2° | 119.9° |
| H14 | CAG | CAE | H15 | 0.1° | 0.0° |
| H15 | CAE | CAF | H16 | 0.5° | 0.0° |
| H18 | CAO | NAP | H19 | 132.1° | 176.0° |
