21E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAW | sing | 1.53Å | 1.54Å | |
| CAC | CAW | sing | 1.53Å | 1.55Å | |
| CAW | NAV | sing | 1.46Å | 1.53Å | |
| CAW | CAA | sing | 1.53Å | 1.53Å | |
| NAE | CAP | sing | 1.38Å | 1.34Å | |
| NAV | CAP | sing | 1.35Å | 1.36Å | Aromatic |
| NAV | NAN | sing | 1.40Å | 1.26Å | Aromatic |
| CAP | CAS | doub | 1.39Å | 1.34Å | Aromatic |
| NAN | CAR | doub | 1.31Å | 1.35Å | Aromatic |
| CAI | CAL | doub | 1.36Å | 1.39Å | Aromatic |
| CAI | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| OAF | CAO | doub | 1.22Å | 1.23Å | |
| CAS | CAR | sing | 1.47Å | 1.36Å | Aromatic |
| CAS | CAO | sing | 1.47Å | 1.37Å | |
| CAR | CAQ | sing | 1.48Å | 1.35Å | |
| CAO | NAD | sing | 1.35Å | 1.34Å | |
| CAL | CAT | sing | 1.41Å | 1.38Å | Aromatic |
| CAQ | NAM | doub | 1.32Å | 1.34Å | Aromatic |
| CAT | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.42Å | 1.40Å | Aromatic |
| NAM | CAU | sing | 1.34Å | 1.35Å | Aromatic |
| CAJ | CAG | sing | 1.36Å | 1.39Å | Aromatic |
| CAU | CAK | doub | 1.41Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAH | sing | 1.36Å | 1.38Å | Aromatic |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAC | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| NAE | H16 | sing | 0.97Å | 1.00Å | |
| NAE | H17 | sing | 0.97Å | 1.00Å | |
| NAD | H18 | sing | 0.97Å | 1.00Å | |
| NAD | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAW | CAC | 108.6° | 109.5° |
| CAB | CAW | NAV | 110.9° | 109.5° |
| CAB | CAW | CAA | 109.8° | 109.4° |
| CAW | CAB | H7 | 109.5° | 109.4° |
| CAW | CAB | H8 | 109.4° | 109.5° |
| CAW | CAB | H9 | 109.5° | 109.5° |
| CAC | CAW | NAV | 112.5° | 109.5° |
| CAC | CAW | CAA | 107.5° | 109.5° |
| CAW | CAC | H10 | 109.5° | 109.5° |
| CAW | CAC | H11 | 109.5° | 109.4° |
| CAW | CAC | H12 | 109.4° | 109.4° |
| NAV | CAW | CAA | 107.5° | 109.5° |
| CAW | NAV | CAP | 129.2° | 125.2° |
| CAW | NAV | NAN | 123.2° | 125.2° |
| CAW | CAA | H13 | 109.5° | 109.5° |
| CAW | CAA | H14 | 109.5° | 109.5° |
| CAW | CAA | H15 | 109.4° | 109.4° |
| NAE | CAP | NAV | 123.1° | 126.2° |
| NAE | CAP | CAS | 127.2° | 126.2° |
| CAP | NAE | H16 | 109.5° | 120.0° |
| CAP | NAE | H17 | 109.5° | 120.0° |
| CAP | NAV | NAN | 107.5° | 109.6° |
| NAV | CAP | CAS | 109.7° | 107.6° |
| NAV | NAN | CAR | 110.4° | 109.4° |
| CAP | CAS | CAR | 104.5° | 106.2° |
| CAP | CAS | CAO | 122.1° | 126.9° |
| NAN | CAR | CAS | 107.9° | 107.1° |
| NAN | CAR | CAQ | 120.4° | 126.4° |
| CAL | CAI | CAQ | 120.6° | 119.8° |
| CAI | CAL | CAT | 119.2° | 118.3° |
| CAL | CAI | H1 | 119.7° | 120.1° |
| CAI | CAL | H2 | 120.4° | 120.8° |
| CAI | CAQ | CAR | 121.1° | 119.2° |
| CAI | CAQ | NAM | 118.2° | 121.5° |
| CAQ | CAI | H1 | 119.7° | 120.1° |
| OAF | CAO | CAS | 120.9° | 120.0° |
| OAF | CAO | NAD | 119.2° | 120.0° |
| CAR | CAS | CAO | 133.4° | 126.9° |
| CAS | CAR | CAQ | 131.6° | 126.5° |
| CAS | CAO | NAD | 119.9° | 120.0° |
| CAR | CAQ | NAM | 120.6° | 119.2° |
| CAO | NAD | H18 | 120.0° | 120.0° |
| CAO | NAD | H19 | 120.0° | 120.0° |
| CAL | CAT | CAJ | 121.4° | 121.3° |
| CAL | CAT | CAU | 119.0° | 119.2° |
| CAT | CAL | H2 | 120.4° | 120.9° |
| CAQ | NAM | CAU | 123.3° | 121.2° |
| CAJ | CAT | CAU | 119.6° | 119.5° |
| CAT | CAJ | CAG | 119.7° | 119.7° |
| CAT | CAJ | H3 | 120.2° | 120.1° |
| CAT | CAU | NAM | 119.7° | 120.0° |
| CAT | CAU | CAK | 120.1° | 119.1° |
| NAM | CAU | CAK | 120.2° | 120.9° |
| CAJ | CAG | CAH | 121.3° | 120.8° |
| CAG | CAJ | H3 | 120.2° | 120.2° |
| CAJ | CAG | H4 | 119.4° | 119.6° |
| CAU | CAK | CAH | 120.0° | 119.7° |
| CAU | CAK | H6 | 120.0° | 120.1° |
| CAG | CAH | CAK | 119.3° | 121.1° |
| CAH | CAG | H4 | 119.3° | 119.6° |
| CAG | CAH | H5 | 120.3° | 119.5° |
| CAK | CAH | H5 | 120.4° | 119.5° |
| CAH | CAK | H6 | 120.0° | 120.2° |
| H7 | CAB | H8 | 109.5° | 109.4° |
| H7 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.5° |
| H10 | CAC | H11 | 109.4° | 109.4° |
| H10 | CAC | H12 | 109.5° | 109.5° |
| H11 | CAC | H12 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H15 | 109.4° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H16 | NAE | H17 | 109.5° | 120.0° |
| H18 | NAD | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAW | CAC | NAV | 123.2° | 120.0° |
| CAB | CAW | CAC | CAA | 118.7° | 120.0° |
| CAB | CAW | NAV | CAA | 120.0° | 119.9° |
| CAB | CAW | NAV | CAP | 44.0° | 180.0° |
| CAB | CAW | NAV | NAN | 138.4° | 0.2° |
| CAW | CAB | H7 | H8 | 120.0° | 120.0° |
| CAW | CAB | H7 | H9 | 120.0° | 120.0° |
| CAW | CAB | H8 | H9 | 120.0° | 120.1° |
| CAB | CAW | CAC | H10 | 180.0° | 179.9° |
| CAB | CAW | CAC | H11 | 60.0° | 60.0° |
| CAB | CAW | CAC | H12 | 60.0° | 60.0° |
| CAB | CAW | CAA | H13 | 180.0° | 60.0° |
| CAB | CAW | CAA | H14 | 60.0° | 60.0° |
| CAB | CAW | CAA | H15 | 60.0° | 180.0° |
| CAC | CAW | NAV | CAA | 118.1° | 120.0° |
| CAC | CAW | NAV | CAP | 165.8° | 60.0° |
| CAC | CAW | NAV | NAN | 16.5° | 120.3° |
| CAC | CAW | CAB | H7 | 180.0° | 60.0° |
| CAC | CAW | CAB | H8 | 60.0° | 60.0° |
| CAC | CAW | CAB | H9 | 60.0° | 180.0° |
| CAW | CAC | H10 | H11 | 120.0° | 119.9° |
| CAW | CAC | H10 | H12 | 120.0° | 120.0° |
| CAW | CAC | H11 | H12 | 120.0° | 120.0° |
| CAC | CAW | CAA | H13 | 62.0° | 180.0° |
| CAC | CAW | CAA | H14 | 178.0° | 60.0° |
| CAC | CAW | CAA | H15 | 58.0° | 60.0° |
| CAW | NAV | CAP | NAE | 1.9° | 0.2° |
| CAW | NAV | CAP | NAN | 177.9° | 179.8° |
| CAW | NAV | CAP | CAS | 178.8° | 179.9° |
| CAW | NAV | NAN | CAR | 179.1° | 179.8° |
| NAV | CAW | CAB | H7 | 55.9° | 60.1° |
| NAV | CAW | CAB | H8 | 64.1° | 180.0° |
| NAV | CAW | CAB | H9 | 175.9° | 59.9° |
| NAV | CAW | CAC | H10 | 56.9° | 60.0° |
| NAV | CAW | CAC | H11 | 176.8° | 180.0° |
| NAV | CAW | CAC | H12 | 63.2° | 60.0° |
| NAV | CAW | CAA | H13 | 59.3° | 60.0° |
| NAV | CAW | CAA | H14 | 60.7° | 180.0° |
| NAV | CAW | CAA | H15 | 179.3° | 60.0° |
| CAA | CAW | NAV | CAP | 76.0° | 60.0° |
| CAA | CAW | NAV | NAN | 101.6° | 119.7° |
| CAA | CAW | CAB | H7 | 62.7° | 180.0° |
| CAA | CAW | CAB | H8 | 177.3° | 60.0° |
| CAA | CAW | CAB | H9 | 57.3° | 60.0° |
| CAA | CAW | CAC | H10 | 61.2° | 60.0° |
| CAA | CAW | CAC | H11 | 58.7° | 60.0° |
| CAA | CAW | CAC | H12 | 178.7° | 180.0° |
| CAW | CAA | H13 | H14 | 120.0° | 120.0° |
| CAW | CAA | H13 | H15 | 120.0° | 119.9° |
| CAW | CAA | H14 | H15 | 120.0° | 120.0° |
| NAE | CAP | NAV | CAS | 179.4° | 179.7° |
| NAE | CAP | NAV | NAN | 179.8° | 180.0° |
| NAE | CAP | CAS | CAR | 179.6° | 179.9° |
| NAE | CAP | CAS | CAO | 0.0° | 0.3° |
| CAP | NAE | H16 | H17 | 120.0° | 180.0° |
| CAP | NAV | NAN | CAR | 1.1° | 0.0° |
| NAV | CAP | CAS | CAR | 0.3° | 0.4° |
| NAV | CAP | CAS | CAO | 179.3° | 180.0° |
| NAV | CAP | NAE | H16 | 180.0° | 0.0° |
| NAV | CAP | NAE | H17 | 60.0° | 180.0° |
| NAN | NAV | CAP | CAS | 0.9° | 0.3° |
| NAV | NAN | CAR | CAS | 0.9° | 0.2° |
| NAV | NAN | CAR | CAQ | 179.4° | 180.0° |
| CAP | CAS | CAR | NAN | 0.3° | 0.4° |
| CAP | CAS | CAO | OAF | 3.5° | 90.0° |
| CAP | CAS | CAR | CAO | 179.6° | 179.6° |
| CAP | CAS | CAR | CAQ | 178.6° | 179.8° |
| CAP | CAS | CAO | NAD | 176.8° | 90.0° |
| CAS | CAP | NAE | H16 | 0.7° | 179.7° |
| CAS | CAP | NAE | H17 | 119.3° | 0.4° |
| NAN | CAR | CAQ | CAI | 38.4° | 25.1° |
| NAN | CAR | CAS | CAQ | 178.3° | 179.8° |
| NAN | CAR | CAS | CAO | 179.9° | 180.0° |
| NAN | CAR | CAQ | NAM | 138.4° | 155.0° |
| CAL | CAI | CAQ | H1 | 180.0° | 179.6° |
| CAL | CAI | CAQ | CAR | 178.3° | 180.0° |
| CAI | CAL | CAT | H2 | 180.0° | 179.9° |
| CAL | CAI | CAQ | NAM | 1.4° | 0.1° |
| CAI | CAL | CAT | CAJ | 179.7° | 180.0° |
| CAI | CAL | CAT | CAU | 0.9° | 0.0° |
| CAI | CAQ | CAR | CAS | 143.4° | 154.7° |
| CAI | CAQ | CAR | NAM | 176.9° | 179.9° |
| CAQ | CAI | CAL | CAT | 0.2° | 0.0° |
| CAI | CAQ | NAM | CAU | 1.7° | 0.0° |
| CAQ | CAI | CAL | H2 | 179.8° | 180.0° |
| OAF | CAO | CAS | CAR | 176.0° | 90.5° |
| OAF | CAO | CAS | NAD | 179.6° | 179.9° |
| OAF | CAO | NAD | H18 | 0.0° | 179.9° |
| OAF | CAO | NAD | H19 | 180.0° | 0.1° |
| CAR | CAS | CAO | NAD | 3.6° | 89.5° |
| CAS | CAR | CAQ | NAM | 39.7° | 25.3° |
| CAO | CAS | CAR | CAQ | 1.8° | 0.2° |
| CAS | CAO | NAD | H18 | 179.7° | 0.1° |
| CAS | CAO | NAD | H19 | 0.3° | 180.0° |
| CAR | CAQ | NAM | CAU | 178.6° | 180.0° |
| CAR | CAQ | CAI | H1 | 1.6° | 0.4° |
| CAO | NAD | H18 | H19 | 180.0° | 179.9° |
| CAL | CAT | CAJ | CAU | 179.4° | 180.0° |
| CAL | CAT | CAU | NAM | 0.7° | 0.0° |
| CAL | CAT | CAJ | CAG | 179.2° | 180.0° |
| CAL | CAT | CAU | CAK | 179.9° | 180.0° |
| CAT | CAL | CAI | H1 | 179.8° | 179.7° |
| CAL | CAT | CAJ | H3 | 0.8° | 0.0° |
| CAQ | NAM | CAU | CAT | 0.6° | 0.0° |
| CAQ | NAM | CAU | CAK | 178.6° | 180.0° |
| NAM | CAQ | CAI | H1 | 178.6° | 179.7° |
| CAJ | CAT | CAU | NAM | 179.9° | 180.0° |
| CAT | CAJ | CAG | H3 | 180.0° | 180.0° |
| CAJ | CAT | CAU | CAK | 0.7° | 0.0° |
| CAT | CAJ | CAG | CAH | 1.1° | 0.1° |
| CAJ | CAT | CAL | H2 | 0.3° | 0.1° |
| CAT | CAJ | CAG | H4 | 178.9° | 180.0° |
| CAT | CAU | NAM | CAK | 179.2° | 180.0° |
| CAU | CAT | CAJ | CAG | 0.2° | 0.0° |
| CAT | CAU | CAK | CAH | 0.7° | 0.0° |
| CAU | CAT | CAL | H2 | 179.1° | 179.9° |
| CAU | CAT | CAJ | H3 | 179.8° | 180.0° |
| CAT | CAU | CAK | H6 | 179.3° | 179.9° |
| NAM | CAU | CAK | CAH | 179.9° | 180.0° |
| NAM | CAU | CAK | H6 | 0.1° | 0.0° |
| CAJ | CAG | CAH | H4 | 180.0° | 179.9° |
| CAJ | CAG | CAH | CAK | 1.2° | 0.1° |
| CAJ | CAG | CAH | H5 | 178.9° | 180.0° |
| CAU | CAK | CAH | CAG | 0.2° | 0.1° |
| CAU | CAK | CAH | H6 | 180.0° | 179.9° |
| CAU | CAK | CAH | H5 | 179.8° | 180.0° |
| CAG | CAH | CAK | H5 | 180.0° | 179.9° |
| CAH | CAG | CAJ | H3 | 178.9° | 179.9° |
| CAG | CAH | CAK | H6 | 179.8° | 180.0° |
| CAK | CAH | CAG | H4 | 178.8° | 180.0° |
| H1 | CAI | CAL | H2 | 0.2° | 0.4° |
| H3 | CAJ | CAG | H4 | 1.1° | 0.0° |
| H4 | CAG | CAH | H5 | 1.1° | 0.0° |
| H5 | CAH | CAK | H6 | 0.2° | 0.1° |
| H7 | CAB | H8 | H9 | 120.0° | 120.0° |
| H10 | CAC | H11 | H12 | 120.0° | 120.1° |
| H13 | CAA | H14 | H15 | 120.0° | 120.1° |
