6LO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | NAE | sing | 1.47Å | 1.49Å | |
| N3 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| NAE | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| NAE | CAF | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| CAT | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| CAF | CAG | doub | 1.36Å | 1.33Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.36Å | Aromatic |
| C5 | CAG | sing | 1.47Å | 1.35Å | Aromatic |
| C6 | NAX | sing | 1.38Å | 1.32Å | |
| CAU | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.48Å | 1.34Å | |
| CAM | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.39Å | 1.41Å | Aromatic |
| OAN | CAL | sing | 1.36Å | 1.38Å | |
| OAN | CAO | sing | 1.43Å | 1.45Å | |
| CAR | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.51Å | 1.41Å | |
| CAH | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| NAX | H6 | sing | 0.97Å | 1.00Å | |
| NAX | H7 | sing | 0.97Å | 1.00Å | |
| CAM | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| CAO | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAR | H15 | sing | 1.08Å | 1.08Å | |
| CAS | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å | |
| CAU | H18 | sing | 1.08Å | 1.08Å | |
| CAD | C1 | sing | 1.54Å | 94.47Å | |
| C1 | C3 | sing | 1.54Å | 0.00Å | |
| C3 | C7 | sing | 1.54Å | 0.00Å | |
| C7 | CAD | sing | 1.54Å | 94.47Å | |
| C3 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | N2 | sing | 1.46Å | 0.00Å | |
| N2 | C10 | sing | 1.35Å | 0.00Å | |
| C10 | O1 | doub | 1.21Å | 0.00Å | |
| C10 | C12 | sing | 1.51Å | 0.00Å | |
| CAD | H1 | sing | 1.09Å | 94.47Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | H19 | sing | 1.09Å | 0.00Å | |
| C7 | H20 | sing | 1.09Å | 0.00Å | |
| C7 | H21 | sing | 1.09Å | 0.00Å | |
| C8 | H22 | sing | 1.09Å | 0.00Å | |
| C8 | H23 | sing | 1.09Å | 0.00Å | |
| N2 | H24 | sing | 0.97Å | 0.00Å | |
| C12 | H25 | sing | 1.09Å | 0.00Å | |
| C12 | H26 | sing | 1.09Å | 0.00Å | |
| C12 | H27 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | NAE | C4 | 127.3° | 124.8° |
| CAD | NAE | CAF | 124.4° | 124.9° |
| NAE | CAD | C1 | 119.8° | 113.6° |
| NAE | CAD | C7 | 119.8° | 113.6° |
| NAE | CAD | H1 | 119.8° | 112.9° |
| C2 | N3 | C4 | 120.6° | 120.7° |
| N3 | C2 | N1 | 117.3° | 122.7° |
| N3 | C2 | H5 | 121.4° | 118.7° |
| N3 | C4 | NAE | 129.9° | 134.1° |
| N3 | C4 | C5 | 121.4° | 118.5° |
| C2 | N1 | C6 | 119.5° | 121.1° |
| N1 | C2 | H5 | 121.4° | 118.7° |
| C4 | NAE | CAF | 108.3° | 110.3° |
| NAE | C4 | C5 | 108.7° | 107.4° |
| NAE | CAF | CAG | 108.2° | 109.7° |
| NAE | CAF | H4 | 125.9° | 125.2° |
| C4 | C5 | C6 | 118.4° | 118.7° |
| C4 | C5 | CAG | 105.8° | 106.2° |
| CAS | CAT | CAU | 119.8° | 120.0° |
| CAT | CAS | CAR | 119.8° | 120.0° |
| CAT | CAS | H16 | 120.1° | 120.0° |
| CAS | CAT | H17 | 120.1° | 120.0° |
| CAT | CAU | CAP | 121.1° | 120.0° |
| CAU | CAT | H17 | 120.1° | 120.1° |
| CAT | CAU | H18 | 119.5° | 120.0° |
| N1 | C6 | C5 | 122.8° | 118.3° |
| N1 | C6 | NAX | 118.3° | 120.9° |
| CAF | CAG | C5 | 108.8° | 106.5° |
| CAF | CAG | CAH | 120.1° | 126.8° |
| CAG | CAF | H4 | 125.9° | 125.1° |
| CAS | CAR | CAQ | 119.8° | 120.0° |
| CAS | CAR | H15 | 120.1° | 120.0° |
| CAR | CAS | H16 | 120.1° | 120.0° |
| C6 | C5 | CAG | 135.6° | 135.1° |
| C5 | C6 | NAX | 118.9° | 120.8° |
| C5 | CAG | CAH | 129.2° | 126.7° |
| C6 | NAX | H6 | 109.5° | 120.1° |
| C6 | NAX | H7 | 109.4° | 120.0° |
| CAU | CAP | CAQ | 118.4° | 119.9° |
| CAU | CAP | CAO | 121.9° | 120.0° |
| CAP | CAU | H18 | 119.4° | 120.0° |
| CAG | CAH | CAM | 122.3° | 120.1° |
| CAG | CAH | CAI | 118.8° | 120.1° |
| CAH | CAM | CAL | 121.3° | 119.8° |
| CAM | CAH | CAI | 118.4° | 119.8° |
| CAH | CAM | H8 | 119.4° | 120.1° |
| CAM | CAL | OAN | 119.1° | 120.0° |
| CAM | CAL | CAK | 118.8° | 120.0° |
| CAL | CAM | H8 | 119.4° | 120.1° |
| CAL | OAN | CAO | 118.1° | 117.0° |
| OAN | CAL | CAK | 122.1° | 120.0° |
| OAN | CAO | CAP | 112.6° | 109.4° |
| OAN | CAO | H12 | 108.7° | 109.5° |
| OAN | CAO | H13 | 108.7° | 109.5° |
| CAR | CAQ | CAP | 121.2° | 120.0° |
| CAR | CAQ | H14 | 119.4° | 120.0° |
| CAQ | CAR | H15 | 120.1° | 120.0° |
| CAQ | CAP | CAO | 119.7° | 120.0° |
| CAP | CAQ | H14 | 119.4° | 120.0° |
| CAP | CAO | H12 | 108.7° | 109.5° |
| CAP | CAO | H13 | 108.7° | 109.5° |
| CAH | CAI | CAJ | 121.1° | 120.0° |
| CAH | CAI | H9 | 119.4° | 120.0° |
| CAL | CAK | CAJ | 120.5° | 120.2° |
| CAL | CAK | H11 | 119.7° | 119.9° |
| CAI | CAJ | CAK | 119.7° | 120.2° |
| CAJ | CAI | H9 | 119.4° | 120.0° |
| CAI | CAJ | H10 | 120.2° | 119.9° |
| CAK | CAJ | H10 | 120.1° | 119.9° |
| CAJ | CAK | H11 | 119.8° | 119.9° |
| H6 | NAX | H7 | 109.5° | 119.9° |
| H12 | CAO | H13 | 109.4° | 109.4° |
| CAD | C1 | C3 | 90.0° | 87.1° |
| C1 | CAD | C7 | 0.0° | 87.1° |
| C1 | CAD | H1 | 0.0° | 113.6° |
| CAD | C1 | H2 | 90.0° | 113.6° |
| CAD | C1 | H3 | 90.0° | 113.7° |
| C1 | C3 | C7 | 90.0° | 87.1° |
| C1 | C3 | C8 | 90.0° | 113.6° |
| C3 | C1 | H2 | 90.0° | 113.6° |
| C3 | C1 | H3 | 90.0° | 113.6° |
| C1 | C3 | H19 | 90.0° | 113.6° |
| C3 | C7 | CAD | 90.0° | 87.1° |
| C7 | C3 | C8 | 90.0° | 113.6° |
| C7 | C3 | H19 | 90.0° | 113.6° |
| C3 | C7 | H20 | 90.0° | 113.6° |
| C3 | C7 | H21 | 90.0° | 113.6° |
| C7 | CAD | H1 | 0.0° | 113.7° |
| CAD | C7 | H20 | 90.0° | 113.6° |
| CAD | C7 | H21 | 90.0° | 113.6° |
| C3 | C8 | N2 | 90.0° | 109.5° |
| C8 | C3 | H19 | 90.0° | 112.9° |
| C3 | C8 | H22 | 90.0° | 109.4° |
| C3 | C8 | H23 | 90.0° | 109.5° |
| C8 | N2 | C10 | 90.0° | 120.0° |
| N2 | C8 | H22 | 90.0° | 109.5° |
| N2 | C8 | H23 | 90.0° | 109.5° |
| C8 | N2 | H24 | 90.0° | 120.1° |
| N2 | C10 | O1 | 90.0° | 120.0° |
| N2 | C10 | C12 | 90.0° | 120.0° |
| C10 | N2 | H24 | 90.0° | 119.9° |
| O1 | C10 | C12 | 90.0° | 120.0° |
| C10 | C12 | H25 | 90.0° | 109.5° |
| C10 | C12 | H26 | 90.0° | 109.5° |
| C10 | C12 | H27 | 90.0° | 109.5° |
| H2 | C1 | H3 | 90.0° | 112.9° |
| H20 | C7 | H21 | 90.0° | 112.9° |
| H22 | C8 | H23 | 90.0° | 109.5° |
| H25 | C12 | H26 | 90.0° | 109.5° |
| H25 | C12 | H27 | 90.0° | 109.4° |
| H26 | C12 | H27 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | NAE | C4 | N3 | 0.7° | 0.2° |
| CAD | NAE | C4 | CAF | 179.0° | 179.9° |
| CAD | NAE | C4 | C5 | 179.8° | 180.0° |
| CAD | NAE | CAF | CAG | 177.4° | 179.8° |
| CAD | NAE | CAF | H4 | 2.6° | 0.1° |
| NAE | CAD | C1 | C7 | 90.0° | 114.5° |
| NAE | CAD | C1 | H1 | 90.0° | 130.8° |
| NAE | CAD | C1 | C3 | 90.0° | 89.1° |
| NAE | CAD | C7 | C3 | 90.0° | 89.1° |
| NAE | CAD | C7 | H1 | 90.0° | 130.9° |
| NAE | CAD | C1 | H2 | 90.0° | 156.4° |
| NAE | CAD | C1 | H3 | 90.0° | 25.4° |
| NAE | CAD | C7 | H20 | 90.0° | 25.4° |
| NAE | CAD | C7 | H21 | 90.0° | 156.4° |
| N3 | C2 | N1 | H5 | 180.0° | 180.0° |
| C2 | N3 | C4 | NAE | 179.8° | 179.7° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| N3 | C2 | N1 | C6 | 1.2° | 0.0° |
| C4 | N3 | C2 | N1 | 1.6° | 0.0° |
| N3 | C4 | NAE | C5 | 179.4° | 179.7° |
| N3 | C4 | NAE | CAF | 178.3° | 179.7° |
| N3 | C4 | C5 | C6 | 0.4° | 0.0° |
| N3 | C4 | C5 | CAG | 176.1° | 180.0° |
| C4 | N3 | C2 | H5 | 178.4° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | NAX | 179.6° | 180.0° |
| C4 | NAE | CAF | CAG | 1.7° | 0.3° |
| NAE | C4 | C5 | C6 | 179.1° | 179.8° |
| NAE | C4 | C5 | CAG | 3.4° | 0.2° |
| C4 | NAE | CAF | H4 | 178.3° | 180.0° |
| C4 | NAE | CAD | C1 | 80.7° | 113.8° |
| C4 | NAE | CAD | C7 | 80.7° | 148.8° |
| C4 | NAE | CAD | H1 | 80.7° | 17.4° |
| CAF | NAE | C4 | C5 | 1.1° | 0.0° |
| NAE | CAF | CAG | H4 | 180.0° | 179.7° |
| NAE | CAF | CAG | C5 | 3.9° | 0.4° |
| NAE | CAF | CAG | CAH | 169.8° | 180.0° |
| CAF | NAE | CAD | C1 | 98.2° | 66.2° |
| CAF | NAE | CAD | C7 | 98.2° | 31.3° |
| CAF | NAE | CAD | H1 | 98.2° | 162.6° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C4 | C5 | CAG | CAF | 4.5° | 0.4° |
| C4 | C5 | C6 | CAG | 174.0° | 180.0° |
| C4 | C5 | C6 | NAX | 178.8° | 180.0° |
| C4 | C5 | CAG | CAH | 168.7° | 180.0° |
| CAS | CAT | CAU | H17 | 180.0° | 179.7° |
| CAT | CAS | CAR | H16 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAP | 0.8° | 0.7° |
| CAT | CAS | CAR | CAQ | 0.3° | 0.0° |
| CAT | CAS | CAR | H15 | 179.7° | 180.0° |
| CAS | CAT | CAU | H18 | 179.2° | 180.0° |
| CAU | CAT | CAS | CAR | 0.3° | 0.3° |
| CAT | CAU | CAP | H18 | 180.0° | 179.3° |
| CAT | CAU | CAP | CAQ | 1.3° | 0.7° |
| CAT | CAU | CAP | CAO | 179.0° | 179.7° |
| CAU | CAT | CAS | H16 | 179.8° | 179.7° |
| N1 | C6 | C5 | NAX | 179.6° | 180.0° |
| N1 | C6 | C5 | CAG | 174.9° | 180.0° |
| C6 | N1 | C2 | H5 | 178.8° | 180.0° |
| N1 | C6 | NAX | H6 | 0.0° | 179.9° |
| N1 | C6 | NAX | H7 | 120.0° | 0.1° |
| CAF | CAG | C5 | C6 | 179.0° | 179.6° |
| CAF | CAG | C5 | CAH | 164.2° | 179.6° |
| CAF | CAG | CAH | CAM | 69.8° | 50.2° |
| CAF | CAG | CAH | CAI | 101.3° | 129.5° |
| CAS | CAR | CAQ | H15 | 180.0° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.8° | 0.0° |
| CAS | CAR | CAQ | H14 | 179.2° | 180.0° |
| CAR | CAS | CAT | H17 | 179.7° | 180.0° |
| C6 | C5 | CAG | CAH | 16.8° | 0.0° |
| C5 | C6 | NAX | H6 | 179.7° | 0.1° |
| C5 | C6 | NAX | H7 | 60.3° | 179.9° |
| CAG | C5 | C6 | NAX | 4.7° | 0.0° |
| C5 | CAG | CAH | CAM | 127.5° | 130.3° |
| C5 | CAG | CAH | CAI | 61.4° | 50.0° |
| C5 | CAG | CAF | H4 | 176.1° | 179.9° |
| C6 | NAX | H6 | H7 | 120.0° | 179.9° |
| CAU | CAP | CAO | OAN | 35.9° | 90.3° |
| CAU | CAP | CAQ | CAR | 1.3° | 0.3° |
| CAU | CAP | CAQ | CAO | 177.8° | 179.7° |
| CAU | CAP | CAO | H12 | 84.6° | 149.7° |
| CAU | CAP | CAO | H13 | 156.4° | 29.7° |
| CAU | CAP | CAQ | H14 | 178.7° | 179.7° |
| CAP | CAU | CAT | H17 | 179.3° | 179.7° |
| CAG | CAH | CAM | CAI | 171.2° | 179.7° |
| CAG | CAH | CAM | CAL | 176.1° | 180.0° |
| CAG | CAH | CAI | CAJ | 177.1° | 180.0° |
| CAH | CAG | CAF | H4 | 10.2° | 0.3° |
| CAG | CAH | CAM | H8 | 3.9° | 0.1° |
| CAG | CAH | CAI | H9 | 3.0° | 0.1° |
| CAH | CAM | CAL | H8 | 180.0° | 179.9° |
| CAH | CAM | CAL | OAN | 176.7° | 180.0° |
| CAH | CAM | CAL | CAK | 2.4° | 0.1° |
| CAM | CAH | CAI | CAJ | 5.6° | 0.3° |
| CAM | CAH | CAI | H9 | 174.5° | 179.7° |
| CAM | CAL | OAN | CAK | 179.0° | 179.9° |
| CAM | CAL | OAN | CAO | 170.5° | 180.0° |
| CAL | CAM | CAH | CAI | 4.9° | 0.3° |
| CAM | CAL | CAK | CAJ | 0.4° | 0.2° |
| CAM | CAL | CAK | H11 | 179.6° | 180.0° |
| CAL | OAN | CAO | CAP | 133.0° | 180.0° |
| OAN | CAL | CAK | CAJ | 178.6° | 179.7° |
| OAN | CAL | CAM | H8 | 3.3° | 0.1° |
| OAN | CAL | CAK | H11 | 1.4° | 0.1° |
| CAL | OAN | CAO | H12 | 12.5° | 60.0° |
| CAL | OAN | CAO | H13 | 106.5° | 60.0° |
| OAN | CAO | CAP | CAQ | 146.4° | 90.0° |
| OAN | CAO | CAP | H12 | 120.5° | 120.0° |
| OAN | CAO | CAP | H13 | 120.5° | 120.0° |
| CAO | OAN | CAL | CAK | 10.5° | 0.1° |
| OAN | CAO | H12 | H13 | 118.6° | 120.0° |
| CAR | CAQ | CAP | H14 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 179.1° | 180.0° |
| CAQ | CAR | CAS | H16 | 179.7° | 180.0° |
| CAQ | CAP | CAO | H12 | 93.2° | 30.0° |
| CAQ | CAP | CAO | H13 | 25.9° | 150.0° |
| CAP | CAQ | CAR | H15 | 179.2° | 179.9° |
| CAQ | CAP | CAU | H18 | 178.7° | 180.0° |
| CAP | CAO | H12 | H13 | 118.6° | 120.0° |
| CAO | CAP | CAQ | H14 | 0.9° | 0.0° |
| CAO | CAP | CAU | H18 | 1.0° | 0.3° |
| CAH | CAI | CAJ | H9 | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 3.7° | 0.1° |
| CAI | CAH | CAM | H8 | 175.1° | 179.7° |
| CAH | CAI | CAJ | H10 | 176.3° | 180.0° |
| CAL | CAK | CAJ | CAI | 1.1° | 0.2° |
| CAL | CAK | CAJ | H11 | 180.0° | 179.8° |
| CAK | CAL | CAM | H8 | 177.6° | 180.0° |
| CAL | CAK | CAJ | H10 | 178.9° | 179.8° |
| CAI | CAJ | CAK | H10 | 180.0° | 179.9° |
| CAI | CAJ | CAK | H11 | 179.0° | 180.0° |
| CAK | CAJ | CAI | H9 | 176.3° | 180.0° |
| H9 | CAI | CAJ | H10 | 3.7° | 0.1° |
| H10 | CAJ | CAK | H11 | 1.0° | 0.1° |
| H14 | CAQ | CAR | H15 | 0.8° | 0.0° |
| H15 | CAR | CAS | H16 | 0.3° | 0.0° |
| H16 | CAS | CAT | H17 | 0.2° | 0.0° |
| H17 | CAT | CAU | H18 | 0.7° | 0.3° |
| CAD | C1 | C3 | H2 | 90.0° | 114.5° |
| CAD | C1 | C3 | H3 | 90.0° | 114.6° |
| C1 | CAD | C7 | C3 | 90.0° | 25.4° |
| C1 | CAD | C7 | H1 | 90.0° | 114.6° |
| CAD | C1 | C3 | C8 | 90.0° | 140.0° |
| CAD | C1 | H2 | H3 | 90.0° | 131.3° |
| CAD | C1 | C3 | H19 | 90.0° | 89.1° |
| C1 | CAD | C7 | H20 | 90.0° | 140.0° |
| C1 | CAD | C7 | H21 | 90.0° | 89.1° |
| C1 | C3 | C7 | C8 | 90.0° | 114.6° |
| C1 | C3 | C7 | H19 | 90.0° | 114.6° |
| C1 | C3 | C8 | H19 | 90.0° | 131.3° |
| C1 | C3 | C8 | N2 | 90.0° | 175.0° |
| C3 | C1 | CAD | H1 | 90.0° | 140.1° |
| C3 | C1 | H2 | H3 | 90.0° | 131.2° |
| C1 | C3 | C7 | H20 | 90.0° | 140.0° |
| C1 | C3 | C7 | H21 | 90.0° | 89.1° |
| C1 | C3 | C8 | H22 | 90.0° | 65.0° |
| C1 | C3 | C8 | H23 | 90.0° | 55.0° |
| C3 | C7 | CAD | H20 | 90.0° | 114.6° |
| C3 | C7 | CAD | H21 | 90.0° | 114.5° |
| C7 | C3 | C8 | H19 | 90.0° | 131.2° |
| C7 | C3 | C8 | N2 | 90.0° | 87.5° |
| C3 | C7 | CAD | H1 | 90.0° | 140.0° |
| C7 | C3 | C1 | H2 | 90.0° | 89.1° |
| C7 | C3 | C1 | H3 | 90.0° | 140.0° |
| C3 | C7 | H20 | H21 | 90.0° | 131.2° |
| C7 | C3 | C8 | H22 | 90.0° | 32.6° |
| C7 | C3 | C8 | H23 | 90.0° | 152.5° |
| CAD | C7 | C3 | C8 | 90.0° | 140.0° |
| C7 | CAD | C1 | H2 | 90.0° | 89.1° |
| C7 | CAD | C1 | H3 | 90.0° | 140.0° |
| CAD | C7 | C3 | H19 | 90.0° | 89.2° |
| CAD | C7 | H20 | H21 | 90.0° | 131.3° |
| C3 | C8 | N2 | H22 | 90.0° | 120.0° |
| C3 | C8 | N2 | H23 | 90.0° | 120.0° |
| C3 | C8 | N2 | C10 | 90.0° | 180.0° |
| C8 | C3 | C1 | H2 | 90.0° | 25.5° |
| C8 | C3 | C1 | H3 | 90.0° | 105.4° |
| C8 | C3 | C7 | H20 | 90.0° | 105.4° |
| C8 | C3 | C7 | H21 | 90.0° | 25.5° |
| C3 | C8 | H22 | H23 | 90.0° | 120.0° |
| C3 | C8 | N2 | H24 | 90.0° | 0.0° |
| C8 | N2 | C10 | H24 | 90.0° | 180.0° |
| C8 | N2 | C10 | O1 | 90.0° | 0.0° |
| C8 | N2 | C10 | C12 | 90.0° | 180.0° |
| N2 | C8 | C3 | H19 | 90.0° | 43.7° |
| N2 | C8 | H22 | H23 | 90.0° | 120.0° |
| N2 | C10 | O1 | C12 | 90.0° | 180.0° |
| C10 | N2 | C8 | H22 | 90.0° | 60.0° |
| C10 | N2 | C8 | H23 | 90.0° | 60.0° |
| N2 | C10 | C12 | H25 | 90.0° | 0.0° |
| N2 | C10 | C12 | H26 | 90.0° | 120.0° |
| N2 | C10 | C12 | H27 | 90.0° | 120.0° |
| O1 | C10 | N2 | H24 | 90.0° | 180.0° |
| O1 | C10 | C12 | H25 | 90.0° | 180.0° |
| O1 | C10 | C12 | H26 | 90.0° | 60.0° |
| O1 | C10 | C12 | H27 | 90.0° | 60.0° |
| C12 | C10 | N2 | H24 | 90.0° | 0.0° |
| C10 | C12 | H25 | H26 | 90.0° | 120.0° |
| C10 | C12 | H25 | H27 | 90.0° | 120.0° |
| C10 | C12 | H26 | H27 | 90.0° | 120.0° |
| H1 | CAD | C1 | H2 | 90.0° | 25.6° |
| H1 | CAD | C1 | H3 | 90.0° | 105.4° |
| H1 | CAD | C7 | H20 | 90.0° | 105.5° |
| H1 | CAD | C7 | H21 | 90.0° | 25.4° |
| H2 | C1 | C3 | H19 | 90.0° | 156.3° |
| H3 | C1 | C3 | H19 | 90.0° | 25.5° |
| H19 | C3 | C7 | H20 | 90.0° | 25.4° |
| H19 | C3 | C7 | H21 | 90.0° | 156.3° |
| H19 | C3 | C8 | H22 | 90.0° | 163.7° |
| H19 | C3 | C8 | H23 | 90.0° | 76.3° |
| H22 | C8 | N2 | H24 | 90.0° | 120.0° |
| H23 | C8 | N2 | H24 | 90.0° | 120.0° |
| H25 | C12 | H26 | H27 | 90.0° | 120.0° |
