M3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAT | doub | 1.21Å | 1.41Å | |
| CAT | NAP | sing | 1.35Å | 1.32Å | |
| CAT | CAJ | sing | 1.52Å | 1.41Å | |
| NAP | CAU | sing | 1.34Å | 1.33Å | |
| CAJ | CAR | sing | 1.52Å | 1.37Å | |
| CAU | OAE | doub | 1.22Å | 1.37Å | |
| CAU | NAO | sing | 1.34Å | 1.32Å | |
| CAR | NAO | doub | 1.30Å | 1.35Å | |
| CAR | CAL | sing | 1.51Å | 1.57Å | |
| CAF | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAQ | sing | 1.38Å | 1.43Å | Aromatic |
| CAL | NAX | sing | 1.47Å | 1.46Å | |
| NAX | CAC | sing | 1.47Å | 1.46Å | |
| NAX | CAK | sing | 1.47Å | 1.47Å | |
| CAH | CAS | doub | 1.38Å | 1.42Å | Aromatic |
| CAQ | CAK | sing | 1.51Å | 1.52Å | |
| CAQ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.08Å | 1.08Å | |
| NAP | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAT | NAP | 120.8° | 121.6° |
| OAD | CAT | CAJ | 119.6° | 121.5° |
| NAP | CAT | CAJ | 119.6° | 116.9° |
| CAT | NAP | CAU | 120.1° | 121.3° |
| CAT | NAP | H15 | 119.9° | 119.4° |
| CAT | CAJ | CAR | 118.9° | 116.2° |
| CAT | CAJ | H8 | 107.1° | 108.1° |
| CAT | CAJ | H9 | 107.1° | 108.0° |
| NAP | CAU | OAE | 118.9° | 117.6° |
| NAP | CAU | NAO | 121.8° | 124.7° |
| CAU | NAP | H15 | 120.0° | 119.3° |
| CAJ | CAR | NAO | 118.5° | 118.0° |
| CAJ | CAR | CAL | 120.7° | 121.0° |
| CAR | CAJ | H8 | 107.1° | 108.1° |
| CAR | CAJ | H9 | 107.1° | 108.1° |
| OAE | CAU | NAO | 119.3° | 117.6° |
| CAU | NAO | CAR | 121.2° | 122.9° |
| NAO | CAR | CAL | 120.8° | 121.0° |
| CAR | CAL | NAX | 108.9° | 109.5° |
| CAR | CAL | H12 | 109.6° | 109.5° |
| CAR | CAL | H13 | 109.6° | 109.5° |
| CAG | CAF | CAH | 119.8° | 120.0° |
| CAF | CAG | CAQ | 120.4° | 120.0° |
| CAG | CAF | H4 | 120.1° | 119.9° |
| CAF | CAG | H5 | 119.8° | 120.0° |
| CAF | CAH | CAS | 120.2° | 120.0° |
| CAH | CAF | H4 | 120.1° | 120.1° |
| CAF | CAH | H6 | 119.9° | 119.9° |
| CAG | CAQ | CAK | 119.9° | 120.0° |
| CAG | CAQ | CAI | 119.9° | 120.0° |
| CAQ | CAG | H5 | 119.8° | 120.0° |
| CAL | NAX | CAC | 106.1° | 111.0° |
| CAL | NAX | CAK | 110.4° | 111.0° |
| NAX | CAL | H12 | 109.6° | 109.5° |
| NAX | CAL | H13 | 109.6° | 109.5° |
| CAC | NAX | CAK | 108.9° | 111.0° |
| NAX | CAC | H1 | 109.5° | 109.5° |
| NAX | CAC | H2 | 109.5° | 109.5° |
| NAX | CAC | H3 | 109.5° | 109.5° |
| NAX | CAK | CAQ | 110.7° | 109.5° |
| NAX | CAK | H10 | 109.1° | 109.4° |
| NAX | CAK | H11 | 109.2° | 109.4° |
| CAH | CAS | CAI | 119.8° | 120.0° |
| CAS | CAH | H6 | 119.9° | 120.0° |
| CAH | CAS | H14 | 120.1° | 120.0° |
| CAK | CAQ | CAI | 120.2° | 120.0° |
| CAQ | CAK | H10 | 109.2° | 109.5° |
| CAQ | CAK | H11 | 109.1° | 109.5° |
| CAQ | CAI | CAS | 119.9° | 119.9° |
| CAQ | CAI | H7 | 120.1° | 120.0° |
| CAS | CAI | H7 | 120.1° | 120.1° |
| CAI | CAS | H14 | 120.1° | 120.0° |
| H1 | CAC | H2 | 109.5° | 109.5° |
| H1 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.5° | 109.5° |
| H8 | CAJ | H9 | 109.4° | 108.0° |
| H10 | CAK | H11 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAT | NAP | CAJ | 180.0° | 179.9° |
| OAD | CAT | NAP | CAU | 179.7° | 180.0° |
| OAD | CAT | CAJ | CAR | 177.7° | 180.0° |
| OAD | CAT | CAJ | H8 | 60.9° | 58.2° |
| OAD | CAT | CAJ | H9 | 56.4° | 58.4° |
| OAD | CAT | NAP | H15 | 0.3° | 0.1° |
| CAT | NAP | CAU | H15 | 180.0° | 180.0° |
| NAP | CAT | CAJ | CAR | 2.2° | 0.0° |
| CAT | NAP | CAU | OAE | 179.8° | 180.0° |
| CAT | NAP | CAU | NAO | 1.0° | 0.0° |
| NAP | CAT | CAJ | H8 | 119.1° | 121.7° |
| NAP | CAT | CAJ | H9 | 123.6° | 121.6° |
| CAJ | CAT | NAP | CAU | 0.3° | 0.0° |
| CAT | CAJ | CAR | H8 | 121.4° | 121.7° |
| CAT | CAJ | CAR | H9 | 121.3° | 121.5° |
| CAT | CAJ | CAR | NAO | 2.9° | 0.0° |
| CAT | CAJ | CAR | CAL | 179.6° | 180.0° |
| CAT | CAJ | H8 | H9 | 115.7° | 116.6° |
| CAJ | CAT | NAP | H15 | 179.7° | 180.0° |
| NAP | CAU | OAE | NAO | 179.2° | 179.9° |
| NAP | CAU | NAO | CAR | 0.2° | 0.1° |
| CAJ | CAR | NAO | CAU | 1.7° | 0.1° |
| CAJ | CAR | NAO | CAL | 177.5° | 180.0° |
| CAJ | CAR | CAL | NAX | 63.4° | 180.0° |
| CAR | CAJ | H8 | H9 | 115.8° | 116.8° |
| CAJ | CAR | CAL | H12 | 56.5° | 60.0° |
| CAJ | CAR | CAL | H13 | 176.7° | 60.0° |
| OAE | CAU | NAO | CAR | 179.4° | 180.0° |
| OAE | CAU | NAP | H15 | 0.2° | 0.0° |
| CAU | NAO | CAR | CAL | 179.2° | 179.9° |
| NAO | CAU | NAP | H15 | 179.0° | 179.9° |
| NAO | CAR | CAL | NAX | 114.1° | 0.0° |
| NAO | CAR | CAJ | H8 | 118.4° | 121.8° |
| NAO | CAR | CAJ | H9 | 124.2° | 121.5° |
| NAO | CAR | CAL | H12 | 126.1° | 120.0° |
| NAO | CAR | CAL | H13 | 5.9° | 120.0° |
| CAR | CAL | NAX | H12 | 119.9° | 120.0° |
| CAR | CAL | NAX | H13 | 119.9° | 120.0° |
| CAR | CAL | NAX | CAC | 156.0° | 66.0° |
| CAR | CAL | NAX | CAK | 86.2° | 170.0° |
| CAL | CAR | CAJ | H8 | 59.1° | 58.3° |
| CAL | CAR | CAJ | H9 | 58.3° | 58.5° |
| CAR | CAL | H12 | H13 | 120.3° | 120.0° |
| CAG | CAF | CAH | H4 | 180.0° | 179.7° |
| CAF | CAG | CAQ | H5 | 180.0° | 180.0° |
| CAG | CAF | CAH | CAS | 0.3° | 0.0° |
| CAF | CAG | CAQ | CAK | 179.3° | 180.0° |
| CAF | CAG | CAQ | CAI | 0.2° | 0.0° |
| CAG | CAF | CAH | H6 | 179.7° | 180.0° |
| CAH | CAF | CAG | CAQ | 0.1° | 0.0° |
| CAF | CAH | CAS | H6 | 180.0° | 180.0° |
| CAF | CAH | CAS | CAI | 0.1° | 0.0° |
| CAH | CAF | CAG | H5 | 179.9° | 180.0° |
| CAF | CAH | CAS | H14 | 179.9° | 179.9° |
| CAG | CAQ | CAK | NAX | 48.0° | 90.0° |
| CAG | CAQ | CAK | CAI | 179.1° | 180.0° |
| CAG | CAQ | CAI | CAS | 0.4° | 0.1° |
| CAQ | CAG | CAF | H4 | 179.9° | 179.7° |
| CAG | CAQ | CAI | H7 | 179.5° | 179.9° |
| CAG | CAQ | CAK | H10 | 72.2° | 150.0° |
| CAG | CAQ | CAK | H11 | 168.2° | 29.9° |
| CAL | NAX | CAC | CAK | 118.8° | 124.0° |
| CAL | NAX | CAK | CAQ | 74.1° | 170.0° |
| CAL | NAX | CAC | H1 | 180.0° | 60.0° |
| CAL | NAX | CAC | H2 | 60.0° | 180.0° |
| CAL | NAX | CAC | H3 | 60.0° | 60.0° |
| CAL | NAX | CAK | H10 | 165.7° | 50.0° |
| CAL | NAX | CAK | H11 | 46.1° | 70.0° |
| NAX | CAL | H12 | H13 | 120.3° | 120.0° |
| CAC | NAX | CAK | CAQ | 169.8° | 66.0° |
| NAX | CAC | H1 | H2 | 120.0° | 120.0° |
| NAX | CAC | H1 | H3 | 120.0° | 120.0° |
| NAX | CAC | H2 | H3 | 120.0° | 120.0° |
| CAC | NAX | CAK | H10 | 49.6° | 174.0° |
| CAC | NAX | CAK | H11 | 70.0° | 54.0° |
| CAC | NAX | CAL | H12 | 36.0° | 54.0° |
| CAC | NAX | CAL | H13 | 84.1° | 174.0° |
| NAX | CAK | CAQ | H10 | 120.2° | 119.9° |
| NAX | CAK | CAQ | H11 | 120.2° | 120.0° |
| NAX | CAK | CAQ | CAI | 131.1° | 90.0° |
| CAK | NAX | CAC | H1 | 61.1° | 64.0° |
| CAK | NAX | CAC | H2 | 178.9° | 56.0° |
| CAK | NAX | CAC | H3 | 58.8° | 176.0° |
| NAX | CAK | H10 | H11 | 119.5° | 120.0° |
| CAK | NAX | CAL | H12 | 153.9° | 70.0° |
| CAK | NAX | CAL | H13 | 33.7° | 50.0° |
| CAH | CAS | CAI | CAQ | 0.3° | 0.1° |
| CAH | CAS | CAI | H14 | 180.0° | 179.9° |
| CAS | CAH | CAF | H4 | 179.7° | 179.7° |
| CAH | CAS | CAI | H7 | 179.7° | 179.9° |
| CAK | CAQ | CAI | CAS | 179.5° | 180.0° |
| CAK | CAQ | CAG | H5 | 0.7° | 0.0° |
| CAK | CAQ | CAI | H7 | 0.4° | 0.1° |
| CAQ | CAK | H10 | H11 | 119.4° | 120.1° |
| CAQ | CAI | CAS | H7 | 180.0° | 179.9° |
| CAI | CAQ | CAG | H5 | 179.8° | 180.0° |
| CAI | CAQ | CAK | H10 | 108.7° | 30.0° |
| CAI | CAQ | CAK | H11 | 10.9° | 150.1° |
| CAQ | CAI | CAS | H14 | 179.7° | 180.0° |
| CAI | CAS | CAH | H6 | 179.9° | 179.9° |
| H1 | CAC | H2 | H3 | 120.0° | 120.0° |
| H4 | CAF | CAG | H5 | 0.1° | 0.3° |
| H4 | CAF | CAH | H6 | 0.3° | 0.2° |
| H6 | CAH | CAS | H14 | 0.1° | 0.0° |
| H7 | CAI | CAS | H14 | 0.3° | 0.1° |
