38F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAW | CAC | sing | 1.51Å | 1.54Å | |
| CAC | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.42Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.51Å | 1.53Å | |
| CAB | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAE | CAF | doub | 1.39Å | 1.42Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | OAK | sing | 1.36Å | 1.42Å | |
| CAJ | OAK | sing | 1.43Å | 1.49Å | |
| CAJ | CAI | sing | 1.53Å | 1.55Å | |
| CAI | OAH | sing | 1.43Å | 1.36Å | |
| CAI | CAL | sing | 1.53Å | 1.53Å | |
| CAL | NAM | sing | 1.47Å | 1.49Å | |
| CAR | CAN | sing | 1.54Å | 1.51Å | |
| CAR | CAQ | sing | 1.51Å | 1.53Å | |
| NAM | CAN | sing | 1.47Å | 1.49Å | |
| CAN | CAO | sing | 1.54Å | 1.52Å | |
| CAV | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.37Å | Aromatic |
| CAO | CAP | sing | 1.51Å | 1.53Å | |
| CAP | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAS | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAV | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| NAM | H10 | sing | 1.01Å | 1.00Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å | |
| OAH | H15 | sing | 0.97Å | 0.95Å | |
| CAJ | H16 | sing | 1.09Å | 1.10Å | |
| CAJ | H17 | sing | 1.09Å | 1.10Å | |
| CAG | H18 | sing | 1.08Å | 1.08Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| CAA | H21 | sing | 1.09Å | 1.10Å | |
| CAW | H22 | sing | 1.09Å | 1.10Å | |
| CAW | H23 | sing | 1.09Å | 1.10Å | |
| CAW | H24 | sing | 1.09Å | 1.10Å | |
| CAD | H25 | sing | 1.08Å | 1.08Å | |
| CAE | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | CAC | CAD | 118.1° | 119.9° |
| CAW | CAC | CAB | 123.1° | 120.0° |
| CAC | CAW | H22 | 109.5° | 109.5° |
| CAC | CAW | H23 | 109.5° | 109.5° |
| CAC | CAW | H24 | 109.5° | 109.5° |
| CAD | CAC | CAB | 118.8° | 120.1° |
| CAC | CAD | CAE | 118.8° | 120.1° |
| CAC | CAD | H25 | 120.6° | 119.9° |
| CAC | CAB | CAA | 120.6° | 119.9° |
| CAC | CAB | CAG | 121.9° | 120.1° |
| CAD | CAE | CAF | 123.6° | 119.9° |
| CAE | CAD | H25 | 120.6° | 120.0° |
| CAD | CAE | H26 | 118.2° | 120.1° |
| CAA | CAB | CAG | 117.5° | 120.0° |
| CAB | CAA | H19 | 109.5° | 109.4° |
| CAB | CAA | H20 | 109.5° | 109.5° |
| CAB | CAA | H21 | 109.5° | 109.5° |
| CAB | CAG | CAF | 119.5° | 119.9° |
| CAB | CAG | H18 | 120.3° | 120.0° |
| CAE | CAF | CAG | 117.4° | 119.9° |
| CAE | CAF | OAK | 122.7° | 120.1° |
| CAF | CAE | H26 | 118.2° | 120.0° |
| CAG | CAF | OAK | 120.0° | 120.0° |
| CAF | CAG | H18 | 120.2° | 120.1° |
| CAF | OAK | CAJ | 109.2° | 117.0° |
| OAK | CAJ | CAI | 115.8° | 109.5° |
| OAK | CAJ | H16 | 107.9° | 109.5° |
| OAK | CAJ | H17 | 107.9° | 109.5° |
| CAJ | CAI | OAH | 109.6° | 109.5° |
| CAJ | CAI | CAL | 113.1° | 109.5° |
| CAJ | CAI | H14 | 104.5° | 109.5° |
| CAI | CAJ | H16 | 107.9° | 109.5° |
| CAI | CAJ | H17 | 107.9° | 109.4° |
| OAH | CAI | CAL | 117.2° | 109.5° |
| OAH | CAI | H14 | 106.6° | 109.5° |
| CAI | OAH | H15 | 109.5° | 114.0° |
| CAI | CAL | NAM | 115.4° | 109.5° |
| CAI | CAL | H12 | 108.0° | 109.4° |
| CAI | CAL | H13 | 108.0° | 109.4° |
| CAL | CAI | H14 | 104.7° | 109.4° |
| CAL | NAM | CAN | 103.8° | 111.0° |
| CAL | NAM | H10 | 110.9° | 111.0° |
| NAM | CAL | H12 | 108.0° | 109.5° |
| NAM | CAL | H13 | 108.0° | 109.5° |
| CAN | CAR | CAQ | 105.7° | 105.1° |
| CAR | CAN | NAM | 115.1° | 110.8° |
| CAR | CAN | CAO | 102.1° | 102.4° |
| CAN | CAR | H7 | 110.4° | 110.3° |
| CAN | CAR | H8 | 110.4° | 110.3° |
| CAR | CAN | H9 | 109.2° | 110.9° |
| CAR | CAQ | CAV | 131.9° | 130.4° |
| CAR | CAQ | CAP | 108.2° | 109.7° |
| CAQ | CAR | H7 | 110.4° | 110.3° |
| CAQ | CAR | H8 | 110.4° | 110.3° |
| NAM | CAN | CAO | 111.5° | 110.8° |
| NAM | CAN | H9 | 109.6° | 110.9° |
| CAN | NAM | H10 | 110.9° | 111.0° |
| CAN | CAO | CAP | 104.8° | 105.2° |
| CAN | CAO | H1 | 110.6° | 110.3° |
| CAN | CAO | H2 | 110.7° | 110.4° |
| CAO | CAN | H9 | 109.1° | 110.8° |
| CAQ | CAV | CAU | 121.6° | 120.2° |
| CAV | CAQ | CAP | 119.9° | 119.9° |
| CAQ | CAV | H6 | 119.2° | 119.9° |
| CAV | CAU | CAT | 118.8° | 119.9° |
| CAV | CAU | H5 | 120.6° | 120.1° |
| CAU | CAV | H6 | 119.2° | 119.8° |
| CAQ | CAP | CAO | 108.9° | 109.8° |
| CAQ | CAP | CAS | 119.1° | 119.8° |
| CAU | CAT | CAS | 119.9° | 120.0° |
| CAU | CAT | H4 | 120.1° | 120.0° |
| CAT | CAU | H5 | 120.6° | 120.0° |
| CAO | CAP | CAS | 132.0° | 130.4° |
| CAP | CAO | H1 | 110.6° | 110.3° |
| CAP | CAO | H2 | 110.6° | 110.3° |
| CAP | CAS | CAT | 120.6° | 120.2° |
| CAP | CAS | H3 | 119.7° | 119.9° |
| CAT | CAS | H3 | 119.7° | 119.9° |
| CAS | CAT | H4 | 120.1° | 120.0° |
| H1 | CAO | H2 | 109.5° | 110.3° |
| H7 | CAR | H8 | 109.5° | 110.4° |
| H12 | CAL | H13 | 109.5° | 109.5° |
| H16 | CAJ | H17 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H21 | 109.5° | 109.5° |
| H20 | CAA | H21 | 109.5° | 109.5° |
| H22 | CAW | H23 | 109.5° | 109.4° |
| H22 | CAW | H24 | 109.5° | 109.5° |
| H23 | CAW | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | CAC | CAD | CAB | 178.8° | 179.7° |
| CAW | CAC | CAD | CAE | 179.2° | 180.0° |
| CAW | CAC | CAB | CAA | 1.6° | 0.2° |
| CAW | CAC | CAB | CAG | 179.2° | 179.7° |
| CAC | CAW | H22 | H23 | 120.0° | 120.0° |
| CAC | CAW | H22 | H24 | 120.0° | 120.1° |
| CAC | CAW | H23 | H24 | 120.0° | 120.0° |
| CAW | CAC | CAD | H25 | 0.8° | 0.3° |
| CAC | CAD | CAE | H25 | 180.0° | 179.7° |
| CAD | CAC | CAB | CAA | 179.7° | 179.9° |
| CAD | CAC | CAB | CAG | 2.0° | 0.0° |
| CAC | CAD | CAE | CAF | 1.3° | 0.6° |
| CAD | CAC | CAW | H22 | 90.5° | 90.0° |
| CAD | CAC | CAW | H23 | 149.4° | 150.0° |
| CAD | CAC | CAW | H24 | 29.5° | 30.1° |
| CAC | CAD | CAE | H26 | 178.7° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.3° |
| CAC | CAB | CAA | CAG | 177.8° | 179.9° |
| CAC | CAB | CAG | CAF | 2.1° | 0.0° |
| CAC | CAB | CAG | H18 | 177.9° | 180.0° |
| CAC | CAB | CAA | H19 | 88.8° | 90.0° |
| CAC | CAB | CAA | H20 | 151.2° | 30.0° |
| CAC | CAB | CAA | H21 | 31.2° | 150.0° |
| CAB | CAC | CAW | H22 | 90.7° | 89.7° |
| CAB | CAC | CAW | H23 | 29.4° | 30.3° |
| CAB | CAC | CAW | H24 | 149.3° | 150.2° |
| CAB | CAC | CAD | H25 | 179.7° | 180.0° |
| CAD | CAE | CAF | H26 | 180.0° | 179.4° |
| CAD | CAE | CAF | CAG | 1.2° | 0.6° |
| CAD | CAE | CAF | OAK | 179.7° | 179.7° |
| CAA | CAB | CAG | CAF | 179.8° | 180.0° |
| CAA | CAB | CAG | H18 | 0.2° | 0.1° |
| CAB | CAA | H19 | H20 | 120.0° | 120.0° |
| CAB | CAA | H19 | H21 | 120.0° | 120.0° |
| CAB | CAA | H20 | H21 | 120.0° | 120.0° |
| CAB | CAG | CAF | CAE | 0.5° | 0.3° |
| CAB | CAG | CAF | H18 | 180.0° | 180.0° |
| CAB | CAG | CAF | OAK | 178.7° | 180.0° |
| CAG | CAB | CAA | H19 | 89.0° | 90.0° |
| CAG | CAB | CAA | H20 | 31.0° | 150.0° |
| CAG | CAB | CAA | H21 | 151.0° | 29.9° |
| CAE | CAF | CAG | OAK | 179.2° | 179.7° |
| CAE | CAF | OAK | CAJ | 4.4° | 0.3° |
| CAE | CAF | CAG | H18 | 179.5° | 179.7° |
| CAF | CAE | CAD | H25 | 178.7° | 179.7° |
| CAG | CAF | OAK | CAJ | 174.7° | 180.0° |
| CAG | CAF | CAE | H26 | 178.8° | 180.0° |
| CAF | OAK | CAJ | CAI | 165.2° | 180.0° |
| CAF | OAK | CAJ | H16 | 73.9° | 60.0° |
| CAF | OAK | CAJ | H17 | 44.3° | 60.1° |
| OAK | CAF | CAG | H18 | 1.3° | 0.0° |
| OAK | CAF | CAE | H26 | 0.3° | 0.3° |
| OAK | CAJ | CAI | H16 | 120.9° | 120.0° |
| OAK | CAJ | CAI | H17 | 120.9° | 120.0° |
| OAK | CAJ | CAI | OAH | 8.0° | 65.0° |
| OAK | CAJ | CAI | CAL | 124.9° | 175.0° |
| OAK | CAJ | CAI | H14 | 121.9° | 55.1° |
| OAK | CAJ | H16 | H17 | 117.1° | 120.0° |
| CAJ | CAI | OAH | CAL | 130.7° | 120.0° |
| CAJ | CAI | OAH | H14 | 112.5° | 120.0° |
| CAJ | CAI | CAL | H14 | 113.1° | 120.0° |
| CAJ | CAI | CAL | NAM | 147.3° | 180.0° |
| CAJ | CAI | CAL | H12 | 26.4° | 59.9° |
| CAJ | CAI | CAL | H13 | 91.9° | 60.0° |
| CAJ | CAI | OAH | H15 | 180.0° | 59.9° |
| CAI | CAJ | H16 | H17 | 117.1° | 120.0° |
| OAH | CAI | CAL | H14 | 117.9° | 120.0° |
| OAH | CAI | CAL | NAM | 18.2° | 60.0° |
| OAH | CAI | CAL | H12 | 102.6° | 180.0° |
| OAH | CAI | CAL | H13 | 139.1° | 60.0° |
| OAH | CAI | CAJ | H16 | 128.9° | 175.0° |
| OAH | CAI | CAJ | H17 | 112.9° | 55.0° |
| CAI | CAL | NAM | H12 | 120.9° | 120.0° |
| CAI | CAL | NAM | H13 | 120.9° | 120.0° |
| CAI | CAL | NAM | CAN | 170.1° | 180.0° |
| CAI | CAL | NAM | H10 | 51.0° | 56.1° |
| CAI | CAL | H12 | H13 | 117.3° | 119.9° |
| CAL | CAI | OAH | H15 | 49.4° | 60.1° |
| CAL | CAI | CAJ | H16 | 3.9° | 55.0° |
| CAL | CAI | CAJ | H17 | 114.2° | 65.0° |
| CAL | NAM | CAN | CAR | 64.9° | 155.0° |
| CAL | NAM | CAN | H10 | 119.1° | 123.9° |
| CAL | NAM | CAN | CAO | 179.5° | 92.0° |
| CAL | NAM | CAN | H9 | 58.7° | 31.4° |
| NAM | CAL | H12 | H13 | 117.3° | 120.0° |
| NAM | CAL | CAI | H14 | 99.7° | 60.0° |
| CAN | CAR | CAQ | H7 | 119.4° | 119.0° |
| CAN | CAR | CAQ | H8 | 119.4° | 118.9° |
| CAR | CAN | NAM | CAO | 115.7° | 113.0° |
| CAR | CAN | NAM | H9 | 123.5° | 123.5° |
| CAR | CAN | CAO | H9 | 115.5° | 118.3° |
| CAN | CAR | CAQ | CAV | 158.6° | 162.8° |
| CAN | CAR | CAQ | CAP | 20.4° | 17.2° |
| CAR | CAN | CAO | CAP | 30.0° | 26.4° |
| CAR | CAN | CAO | H1 | 89.2° | 145.3° |
| CAR | CAN | CAO | H2 | 149.3° | 92.6° |
| CAN | CAR | H7 | H8 | 121.8° | 122.2° |
| CAR | CAN | NAM | H10 | 54.3° | 31.1° |
| CAQ | CAR | CAN | NAM | 151.7° | 144.6° |
| CAQ | CAR | CAN | CAO | 30.8° | 26.4° |
| CAR | CAQ | CAV | CAP | 178.9° | 179.9° |
| CAR | CAQ | CAV | CAU | 179.6° | 180.0° |
| CAR | CAQ | CAP | CAO | 0.8° | 0.1° |
| CAR | CAQ | CAP | CAS | 178.5° | 180.0° |
| CAR | CAQ | CAV | H6 | 0.4° | 0.0° |
| CAQ | CAR | H7 | H8 | 121.7° | 122.1° |
| CAQ | CAR | CAN | H9 | 84.6° | 91.9° |
| NAM | CAN | CAO | H9 | 121.1° | 123.5° |
| NAM | CAN | CAO | CAP | 153.4° | 144.6° |
| NAM | CAN | CAO | H1 | 34.2° | 96.5° |
| NAM | CAN | CAO | H2 | 87.4° | 25.6° |
| NAM | CAN | CAR | H7 | 88.9° | 25.7° |
| NAM | CAN | CAR | H8 | 32.3° | 96.6° |
| CAN | NAM | CAL | H12 | 69.0° | 60.0° |
| CAN | NAM | CAL | H13 | 49.2° | 60.0° |
| CAN | CAO | CAP | CAQ | 18.8° | 17.1° |
| CAN | CAO | CAP | H1 | 119.2° | 119.0° |
| CAN | CAO | CAP | H2 | 119.3° | 119.0° |
| CAN | CAO | CAP | CAS | 162.1° | 162.8° |
| CAN | CAO | H1 | H2 | 122.2° | 122.2° |
| CAO | CAN | CAR | H7 | 150.2° | 92.5° |
| CAO | CAN | CAR | H8 | 88.6° | 145.2° |
| CAO | CAN | NAM | H10 | 61.4° | 144.0° |
| CAQ | CAV | CAU | H6 | 180.0° | 180.0° |
| CAQ | CAV | CAU | CAT | 2.5° | 0.0° |
| CAV | CAQ | CAP | CAO | 178.3° | 180.0° |
| CAV | CAQ | CAP | CAS | 2.4° | 0.1° |
| CAQ | CAV | CAU | H5 | 177.5° | 180.0° |
| CAV | CAQ | CAR | H7 | 39.1° | 78.2° |
| CAV | CAQ | CAR | H8 | 82.0° | 43.9° |
| CAU | CAV | CAQ | CAP | 0.7° | 0.0° |
| CAV | CAU | CAT | H5 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAS | 3.9° | 0.0° |
| CAV | CAU | CAT | H4 | 176.0° | 180.0° |
| CAQ | CAP | CAO | CAS | 179.2° | 179.9° |
| CAQ | CAP | CAS | CAT | 0.9° | 0.0° |
| CAQ | CAP | CAO | H1 | 100.5° | 136.1° |
| CAQ | CAP | CAO | H2 | 138.1° | 101.9° |
| CAQ | CAP | CAS | H3 | 179.1° | 180.0° |
| CAP | CAQ | CAV | H6 | 179.2° | 180.0° |
| CAP | CAQ | CAR | H7 | 139.8° | 101.7° |
| CAP | CAQ | CAR | H8 | 99.0° | 136.1° |
| CAU | CAT | CAS | CAP | 2.3° | 0.0° |
| CAU | CAT | CAS | H4 | 180.0° | 180.0° |
| CAU | CAT | CAS | H3 | 177.7° | 180.0° |
| CAT | CAU | CAV | H6 | 177.5° | 180.0° |
| CAO | CAP | CAS | CAT | 180.0° | 180.0° |
| CAP | CAO | H1 | H2 | 122.2° | 122.0° |
| CAO | CAP | CAS | H3 | 0.0° | 0.1° |
| CAP | CAO | CAN | H9 | 85.5° | 91.9° |
| CAP | CAS | CAT | H3 | 180.0° | 180.0° |
| CAS | CAP | CAO | H1 | 78.7° | 43.8° |
| CAS | CAP | CAO | H2 | 42.8° | 78.2° |
| CAP | CAS | CAT | H4 | 177.7° | 179.9° |
| CAS | CAT | CAU | H5 | 176.1° | 180.0° |
| H1 | CAO | CAN | H9 | 155.3° | 27.0° |
| H2 | CAO | CAN | H9 | 33.7° | 149.1° |
| H3 | CAS | CAT | H4 | 2.3° | 0.0° |
| H4 | CAT | CAU | H5 | 3.9° | 0.1° |
| H5 | CAU | CAV | H6 | 2.5° | 0.0° |
| H7 | CAR | CAN | H9 | 34.8° | 149.2° |
| H8 | CAR | CAN | H9 | 156.0° | 27.0° |
| H9 | CAN | NAM | H10 | 177.8° | 92.5° |
| H10 | NAM | CAL | H12 | 171.8° | 64.0° |
| H10 | NAM | CAL | H13 | 69.9° | 176.0° |
| H12 | CAL | CAI | H14 | 139.5° | 60.0° |
| H13 | CAL | CAI | H14 | 21.2° | 180.0° |
| H14 | CAI | OAH | H15 | 67.4° | 180.0° |
| H14 | CAI | CAJ | H16 | 117.1° | 65.0° |
| H14 | CAI | CAJ | H17 | 1.0° | 175.0° |
| H19 | CAA | H20 | H21 | 120.0° | 120.0° |
| H22 | CAW | H23 | H24 | 120.0° | 120.0° |
| H25 | CAD | CAE | H26 | 1.3° | 0.3° |
