ZM4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C4 | CBB | sing | 1.51Å | 1.44Å | |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | CAH | sing | 1.43Å | 1.47Å | |
| C6 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C6 | NAG | sing | 1.38Å | 1.37Å | |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| CBC | CBB | sing | 1.53Å | 1.49Å | |
| C2 | NBD | sing | 1.38Å | 1.36Å | |
| CAH | CAI | trip | 1.17Å | 1.08Å | |
| CAI | CAJ | sing | 1.47Å | 1.55Å | |
| CAJ | CAK | sing | 1.53Å | 1.55Å | |
| CAJ | CAL | sing | 1.51Å | 1.45Å | |
| CAL | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.44Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAS | sing | 1.48Å | 1.38Å | |
| CAS | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAS | CAX | sing | 1.39Å | 1.42Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAU | CAV | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAY | sing | 1.48Å | 1.39Å | |
| CAV | CAW | sing | 1.40Å | 1.43Å | Aromatic |
| CAY | OAZ | doub | 1.22Å | 1.24Å | |
| CAY | NBA | sing | 1.35Å | 1.33Å | |
| CAW | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CLAR | sing | 1.51Å | 1.83Å | |
| CBC | H1 | sing | 1.09Å | 1.10Å | |
| CBC | H2 | sing | 1.09Å | 1.10Å | |
| CBC | H3 | sing | 1.09Å | 1.10Å | |
| CBB | H4 | sing | 1.09Å | 1.10Å | |
| CBB | H5 | sing | 1.09Å | 1.10Å | |
| NBD | H6 | sing | 0.97Å | 1.00Å | |
| NBD | H7 | sing | 0.97Å | 1.00Å | |
| NAG | H8 | sing | 0.97Å | 1.00Å | |
| NAG | H9 | sing | 0.97Å | 1.00Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| CAK | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CLAR | H15 | sing | 1.09Å | 1.10Å | |
| CLAR | H16 | sing | 1.09Å | 1.10Å | |
| CLAR | H17 | sing | 1.09Å | 1.10Å | |
| CAP | H18 | sing | 1.08Å | 1.08Å | |
| CAO | H19 | sing | 1.08Å | 1.08Å | |
| CAT | H20 | sing | 1.08Å | 1.08Å | |
| CAU | H21 | sing | 1.08Å | 1.08Å | |
| NBA | H22 | sing | 0.97Å | 1.00Å | |
| NBA | H23 | sing | 0.97Å | 1.00Å | |
| CAW | H24 | sing | 1.08Å | 1.08Å | |
| CAX | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N3 | 118.7° | 119.1° |
| C5 | C4 | CBB | 124.1° | 120.4° |
| C4 | C5 | C6 | 118.6° | 118.2° |
| C4 | C5 | CAH | 122.8° | 120.9° |
| N3 | C4 | CBB | 117.1° | 120.5° |
| C4 | N3 | C2 | 122.3° | 121.1° |
| C4 | CBB | CBC | 107.6° | 109.5° |
| C4 | CBB | H4 | 109.9° | 109.5° |
| C4 | CBB | H5 | 109.9° | 109.5° |
| C6 | C5 | CAH | 118.5° | 120.9° |
| C5 | C6 | N1 | 117.8° | 118.9° |
| C5 | C6 | NAG | 120.4° | 120.6° |
| C5 | CAH | CAI | 178.8° | 180.0° |
| N1 | C6 | NAG | 121.7° | 120.6° |
| C6 | N1 | C2 | 124.9° | 120.8° |
| C6 | NAG | H8 | 109.5° | 120.0° |
| C6 | NAG | H9 | 109.5° | 120.0° |
| N1 | C2 | N3 | 117.5° | 122.0° |
| N1 | C2 | NBD | 119.8° | 119.0° |
| N3 | C2 | NBD | 122.7° | 119.0° |
| CBB | CBC | H1 | 109.5° | 109.5° |
| CBB | CBC | H2 | 109.5° | 109.5° |
| CBB | CBC | H3 | 109.5° | 109.4° |
| CBC | CBB | H4 | 110.0° | 109.5° |
| CBC | CBB | H5 | 110.0° | 109.5° |
| C2 | NBD | H6 | 109.5° | 120.0° |
| C2 | NBD | H7 | 109.4° | 120.0° |
| CAH | CAI | CAJ | 178.6° | 180.0° |
| CAI | CAJ | CAK | 108.9° | 109.5° |
| CAI | CAJ | CAL | 112.5° | 109.5° |
| CAI | CAJ | H10 | 108.7° | 109.4° |
| CAK | CAJ | CAL | 107.8° | 109.5° |
| CAK | CAJ | H10 | 108.8° | 109.5° |
| CAJ | CAK | H11 | 109.5° | 109.5° |
| CAJ | CAK | H12 | 109.4° | 109.5° |
| CAJ | CAK | H13 | 109.4° | 109.5° |
| CAJ | CAL | CAM | 117.9° | 119.9° |
| CAJ | CAL | CAQ | 122.2° | 120.0° |
| CAL | CAJ | H10 | 110.1° | 109.5° |
| CAM | CAL | CAQ | 119.8° | 120.1° |
| CAL | CAM | CAN | 119.0° | 119.9° |
| CAL | CAM | H14 | 120.5° | 120.0° |
| CAL | CAQ | CAP | 120.5° | 120.2° |
| CAL | CAQ | CLAR | 120.6° | 119.9° |
| CAM | CAN | CAO | 120.8° | 119.8° |
| CAM | CAN | CAS | 119.7° | 120.1° |
| CAN | CAM | H14 | 120.5° | 120.1° |
| CAQ | CAP | CAO | 118.5° | 120.1° |
| CAP | CAQ | CLAR | 118.9° | 119.9° |
| CAQ | CAP | H18 | 120.7° | 119.9° |
| CAP | CAO | CAN | 121.2° | 119.8° |
| CAO | CAP | H18 | 120.8° | 119.9° |
| CAP | CAO | H19 | 119.4° | 120.1° |
| CAO | CAN | CAS | 119.2° | 120.1° |
| CAN | CAO | H19 | 119.4° | 120.1° |
| CAN | CAS | CAT | 116.2° | 120.0° |
| CAN | CAS | CAX | 122.9° | 120.0° |
| CAT | CAS | CAX | 120.8° | 120.1° |
| CAS | CAT | CAU | 121.3° | 120.0° |
| CAS | CAT | H20 | 119.4° | 120.0° |
| CAS | CAX | CAW | 118.2° | 120.0° |
| CAS | CAX | H25 | 120.9° | 120.0° |
| CAT | CAU | CAV | 118.4° | 120.0° |
| CAU | CAT | H20 | 119.4° | 120.0° |
| CAT | CAU | H21 | 120.8° | 120.0° |
| CAU | CAV | CAY | 114.7° | 120.0° |
| CAU | CAV | CAW | 121.7° | 120.0° |
| CAV | CAU | H21 | 120.8° | 120.0° |
| CAY | CAV | CAW | 123.6° | 120.0° |
| CAV | CAY | OAZ | 121.1° | 119.9° |
| CAV | CAY | NBA | 115.2° | 120.0° |
| CAV | CAW | CAX | 119.5° | 120.0° |
| CAV | CAW | H24 | 120.2° | 120.1° |
| OAZ | CAY | NBA | 123.4° | 120.1° |
| CAY | NBA | H22 | 120.0° | 120.0° |
| CAY | NBA | H23 | 120.0° | 120.0° |
| CAX | CAW | H24 | 120.2° | 120.0° |
| CAW | CAX | H25 | 120.9° | 120.0° |
| CAQ | CLAR | H15 | 109.5° | 109.5° |
| CAQ | CLAR | H16 | 109.5° | 109.5° |
| CAQ | CLAR | H17 | 109.5° | 109.5° |
| H1 | CBC | H2 | 109.4° | 109.5° |
| H1 | CBC | H3 | 109.5° | 109.4° |
| H2 | CBC | H3 | 109.4° | 109.5° |
| H4 | CBB | H5 | 109.5° | 109.5° |
| H6 | NBD | H7 | 109.5° | 120.0° |
| H8 | NAG | H9 | 109.5° | 119.9° |
| H11 | CAK | H12 | 109.5° | 109.5° |
| H11 | CAK | H13 | 109.5° | 109.4° |
| H12 | CAK | H13 | 109.5° | 109.4° |
| H15 | CLAR | H16 | 109.5° | 109.4° |
| H15 | CLAR | H17 | 109.5° | 109.5° |
| H16 | CLAR | H17 | 109.4° | 109.6° |
| H22 | NBA | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N3 | CBB | 177.6° | 179.8° |
| C4 | C5 | C6 | CAH | 176.2° | 179.9° |
| C4 | C5 | C6 | N1 | 3.7° | 0.1° |
| C4 | C5 | C6 | NAG | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.1° |
| C5 | C4 | CBB | CBC | 100.6° | 90.0° |
| C4 | C5 | CAH | CAI | 26.9° | 63.2° |
| C5 | C4 | CBB | H4 | 19.1° | 150.0° |
| C5 | C4 | CBB | H5 | 139.6° | 30.0° |
| N3 | C4 | C5 | C6 | 2.5° | 0.1° |
| N3 | C4 | C5 | CAH | 178.5° | 180.0° |
| C4 | N3 | C2 | N1 | 1.9° | 0.1° |
| N3 | C4 | CBB | CBC | 81.9° | 90.2° |
| C4 | N3 | C2 | NBD | 179.7° | 180.0° |
| N3 | C4 | CBB | H4 | 158.4° | 29.8° |
| N3 | C4 | CBB | H5 | 37.8° | 149.7° |
| CBB | C4 | C5 | C6 | 179.9° | 179.7° |
| CBB | C4 | C5 | CAH | 4.1° | 0.2° |
| CBB | C4 | N3 | C2 | 177.2° | 179.7° |
| C4 | CBB | CBC | H4 | 119.7° | 120.0° |
| C4 | CBB | CBC | H5 | 119.7° | 120.0° |
| C4 | CBB | CBC | H1 | 180.0° | 60.0° |
| C4 | CBB | CBC | H2 | 60.0° | 60.0° |
| C4 | CBB | CBC | H3 | 60.0° | 180.0° |
| C4 | CBB | H4 | H5 | 120.8° | 120.0° |
| C5 | C6 | N1 | NAG | 176.1° | 179.9° |
| C5 | C6 | N1 | C2 | 2.3° | 0.1° |
| C6 | C5 | CAH | CAI | 157.1° | 116.8° |
| C5 | C6 | NAG | H8 | 176.0° | 0.0° |
| C5 | C6 | NAG | H9 | 56.0° | 180.0° |
| CAH | C5 | C6 | N1 | 179.9° | 180.0° |
| CAH | C5 | C6 | NAG | 4.0° | 0.0° |
| C5 | CAH | CAI | CAJ | 81.1° | 158.3° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| C6 | N1 | C2 | NBD | 178.9° | 180.0° |
| N1 | C6 | NAG | H8 | 0.0° | 180.0° |
| N1 | C6 | NAG | H9 | 120.0° | 0.0° |
| NAG | C6 | N1 | C2 | 178.4° | 180.0° |
| C6 | NAG | H8 | H9 | 120.0° | 180.0° |
| N1 | C2 | N3 | NBD | 178.4° | 180.0° |
| N1 | C2 | NBD | H6 | 0.0° | 0.0° |
| N1 | C2 | NBD | H7 | 120.0° | 180.0° |
| N3 | C2 | NBD | H6 | 178.3° | 180.0° |
| N3 | C2 | NBD | H7 | 58.3° | 0.0° |
| CBB | CBC | H1 | H2 | 120.0° | 120.0° |
| CBB | CBC | H1 | H3 | 120.0° | 119.9° |
| CBB | CBC | H2 | H3 | 120.0° | 120.0° |
| CBC | CBB | H4 | H5 | 120.9° | 120.0° |
| C2 | NBD | H6 | H7 | 120.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 70.1° | 161.5° |
| CAH | CAI | CAJ | CAL | 49.3° | 41.5° |
| CAH | CAI | CAJ | H10 | 171.5° | 78.6° |
| CAI | CAJ | CAK | CAL | 122.3° | 120.0° |
| CAI | CAJ | CAK | H10 | 118.4° | 119.9° |
| CAI | CAJ | CAL | H10 | 121.4° | 120.0° |
| CAI | CAJ | CAL | CAM | 59.0° | 54.2° |
| CAI | CAJ | CAL | CAQ | 123.6° | 126.1° |
| CAI | CAJ | CAK | H11 | 180.0° | 60.0° |
| CAI | CAJ | CAK | H12 | 60.0° | 60.0° |
| CAI | CAJ | CAK | H13 | 60.0° | 180.0° |
| CAK | CAJ | CAL | H10 | 118.5° | 120.0° |
| CAK | CAJ | CAL | CAM | 61.1° | 65.8° |
| CAK | CAJ | CAL | CAQ | 116.4° | 113.9° |
| CAJ | CAK | H11 | H12 | 120.0° | 120.0° |
| CAJ | CAK | H11 | H13 | 120.0° | 120.0° |
| CAJ | CAK | H12 | H13 | 119.9° | 120.0° |
| CAJ | CAL | CAM | CAQ | 177.5° | 179.7° |
| CAJ | CAL | CAM | CAN | 178.4° | 180.0° |
| CAJ | CAL | CAQ | CAP | 179.1° | 180.0° |
| CAJ | CAL | CAQ | CLAR | 0.9° | 0.0° |
| CAL | CAJ | CAK | H11 | 57.7° | 60.0° |
| CAL | CAJ | CAK | H12 | 62.3° | 179.9° |
| CAL | CAJ | CAK | H13 | 177.8° | 60.0° |
| CAJ | CAL | CAM | H14 | 1.6° | 0.0° |
| CAL | CAM | CAN | H14 | 180.0° | 180.0° |
| CAM | CAL | CAQ | CAP | 1.6° | 0.2° |
| CAL | CAM | CAN | CAO | 5.6° | 0.0° |
| CAL | CAM | CAN | CAS | 178.9° | 180.0° |
| CAM | CAL | CAQ | CLAR | 176.5° | 179.7° |
| CAM | CAL | CAJ | H10 | 179.6° | 174.2° |
| CAQ | CAL | CAM | CAN | 4.1° | 0.2° |
| CAL | CAQ | CAP | CLAR | 178.1° | 180.0° |
| CAL | CAQ | CAP | CAO | 0.5° | 0.0° |
| CAQ | CAL | CAJ | H10 | 2.1° | 6.1° |
| CAQ | CAL | CAM | H14 | 175.9° | 179.8° |
| CAL | CAQ | CLAR | H15 | 91.0° | 84.3° |
| CAL | CAQ | CLAR | H16 | 149.0° | 155.8° |
| CAL | CAQ | CLAR | H17 | 29.0° | 35.7° |
| CAL | CAQ | CAP | H18 | 179.5° | 180.0° |
| CAM | CAN | CAO | CAP | 4.6° | 0.3° |
| CAM | CAN | CAO | CAS | 173.3° | 179.9° |
| CAM | CAN | CAS | CAT | 40.2° | 180.0° |
| CAM | CAN | CAS | CAX | 143.2° | 0.2° |
| CAM | CAN | CAO | H19 | 175.4° | 180.0° |
| CAQ | CAP | CAO | H18 | 180.0° | 180.0° |
| CAQ | CAP | CAO | CAN | 2.0° | 0.3° |
| CAP | CAQ | CLAR | H15 | 90.9° | 95.8° |
| CAP | CAQ | CLAR | H16 | 29.1° | 24.2° |
| CAP | CAQ | CLAR | H17 | 149.1° | 144.3° |
| CAQ | CAP | CAO | H19 | 178.0° | 180.0° |
| CAP | CAO | CAN | H19 | 180.0° | 179.7° |
| CAP | CAO | CAN | CAS | 177.9° | 179.7° |
| CAO | CAP | CAQ | CLAR | 177.6° | 180.0° |
| CAO | CAN | CAS | CAT | 133.2° | 0.1° |
| CAO | CAN | CAS | CAX | 43.4° | 179.7° |
| CAO | CAN | CAM | H14 | 174.4° | 180.0° |
| CAN | CAO | CAP | H18 | 178.0° | 179.7° |
| CAN | CAS | CAT | CAX | 176.7° | 179.8° |
| CAN | CAS | CAT | CAU | 178.8° | 180.0° |
| CAN | CAS | CAX | CAW | 178.3° | 179.8° |
| CAS | CAN | CAM | H14 | 1.1° | 0.0° |
| CAS | CAN | CAO | H19 | 2.1° | 0.0° |
| CAN | CAS | CAT | H20 | 1.2° | 0.0° |
| CAN | CAS | CAX | H25 | 1.7° | 0.0° |
| CAS | CAT | CAU | H20 | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 1.1° | 0.0° |
| CAT | CAS | CAX | CAW | 1.8° | 0.5° |
| CAS | CAT | CAU | H21 | 178.9° | 180.0° |
| CAT | CAS | CAX | H25 | 178.2° | 179.7° |
| CAX | CAS | CAT | CAU | 2.1° | 0.2° |
| CAS | CAX | CAW | CAV | 0.6° | 0.5° |
| CAS | CAX | CAW | H25 | 180.0° | 179.8° |
| CAX | CAS | CAT | H20 | 177.9° | 179.8° |
| CAS | CAX | CAW | H24 | 179.4° | 179.8° |
| CAT | CAU | CAV | H21 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAY | 179.6° | 180.0° |
| CAT | CAU | CAV | CAW | 0.1° | 0.1° |
| CAU | CAV | CAY | CAW | 179.7° | 180.0° |
| CAU | CAV | CAY | OAZ | 84.4° | 0.0° |
| CAU | CAV | CAY | NBA | 90.2° | 180.0° |
| CAU | CAV | CAW | CAX | 0.3° | 0.3° |
| CAV | CAU | CAT | H20 | 178.9° | 180.0° |
| CAU | CAV | CAW | H24 | 179.7° | 180.0° |
| CAV | CAY | OAZ | NBA | 174.2° | 180.0° |
| CAY | CAV | CAW | CAX | 179.3° | 179.7° |
| CAY | CAV | CAU | H21 | 0.4° | 0.0° |
| CAV | CAY | NBA | H22 | 174.6° | 0.0° |
| CAV | CAY | NBA | H23 | 5.4° | 180.0° |
| CAY | CAV | CAW | H24 | 0.7° | 0.0° |
| CAW | CAV | CAY | OAZ | 95.2° | 180.0° |
| CAW | CAV | CAY | NBA | 90.1° | 0.0° |
| CAV | CAW | CAX | H24 | 180.0° | 179.7° |
| CAW | CAV | CAU | H21 | 179.9° | 180.0° |
| CAV | CAW | CAX | H25 | 179.4° | 179.7° |
| OAZ | CAY | NBA | H22 | 0.0° | 180.0° |
| OAZ | CAY | NBA | H23 | 180.0° | 0.0° |
| CAY | NBA | H22 | H23 | 180.0° | 180.0° |
| CAQ | CLAR | H15 | H16 | 120.0° | 119.9° |
| CAQ | CLAR | H15 | H17 | 120.0° | 120.0° |
| CAQ | CLAR | H16 | H17 | 120.0° | 120.0° |
| CLAR | CAQ | CAP | H18 | 2.4° | 0.0° |
| H1 | CBC | H2 | H3 | 120.0° | 120.0° |
| H1 | CBC | CBB | H4 | 60.3° | 179.9° |
| H1 | CBC | CBB | H5 | 60.3° | 60.0° |
| H2 | CBC | CBB | H4 | 179.7° | 60.0° |
| H2 | CBC | CBB | H5 | 59.7° | 180.0° |
| H3 | CBC | CBB | H4 | 59.7° | 60.0° |
| H3 | CBC | CBB | H5 | 179.7° | 60.0° |
| H10 | CAJ | CAK | H11 | 61.6° | 179.9° |
| H10 | CAJ | CAK | H12 | 178.4° | 59.9° |
| H10 | CAJ | CAK | H13 | 58.4° | 60.1° |
| H11 | CAK | H12 | H13 | 120.1° | 119.9° |
| H15 | CLAR | H16 | H17 | 120.0° | 120.0° |
| H18 | CAP | CAO | H19 | 2.0° | 0.0° |
| H20 | CAT | CAU | H21 | 1.1° | 0.0° |
| H24 | CAW | CAX | H25 | 0.6° | 0.0° |
