ZZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.53Å | 1.53Å | |
| CAB | CAC | sing | 1.53Å | 1.52Å | |
| CAB | NAE | sing | 1.47Å | 1.51Å | |
| NAE | NAD | sing | 1.40Å | 1.24Å | Aromatic |
| NAE | C6 | sing | 1.36Å | 1.35Å | Aromatic |
| NAD | CAI | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.38Å | Aromatic |
| N1 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.31Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | NAN | sing | 1.38Å | 1.33Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | CAI | sing | 1.46Å | 1.37Å | Aromatic |
| CAI | CAM | sing | 1.43Å | 1.41Å | |
| CAM | CAO | trip | 1.17Å | 1.17Å | |
| CAO | CAP | sing | 1.43Å | 1.39Å | |
| CAP | CAQ | sing | 1.40Å | 1.38Å | Aromatic |
| CAP | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | NAT | doub | 1.32Å | 1.32Å | Aromatic |
| NAT | CAS | sing | 1.32Å | 1.33Å | Aromatic |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| NAN | HAN1 | sing | 0.97Å | 1.00Å | |
| NAN | HAN2 | sing | 0.97Å | 1.00Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAB | CAC | 111.2° | 109.5° |
| CAA | CAB | NAE | 115.8° | 109.4° |
| CAB | CAA | HAA1 | 109.5° | 109.4° |
| CAB | CAA | HAA2 | 109.5° | 109.5° |
| CAB | CAA | HAA3 | 109.5° | 109.5° |
| CAA | CAB | HAB | 103.4° | 109.5° |
| CAC | CAB | NAE | 108.6° | 109.5° |
| CAC | CAB | HAB | 111.4° | 109.5° |
| CAB | CAC | HAC1 | 109.5° | 109.5° |
| CAB | CAC | HAC2 | 109.5° | 109.5° |
| CAB | CAC | HAC3 | 109.5° | 109.5° |
| CAB | NAE | NAD | 118.9° | 125.2° |
| CAB | NAE | C6 | 131.6° | 125.2° |
| NAE | CAB | HAB | 106.3° | 109.5° |
| NAD | NAE | C6 | 109.4° | 109.6° |
| NAE | NAD | CAI | 110.9° | 109.7° |
| NAE | C6 | N1 | 135.6° | 134.5° |
| NAE | C6 | C5 | 107.4° | 106.9° |
| NAD | CAI | C5 | 108.6° | 107.3° |
| NAD | CAI | CAM | 123.8° | 126.3° |
| N1 | C6 | C5 | 117.0° | 118.6° |
| C6 | N1 | C2 | 123.2° | 120.7° |
| C6 | C5 | C4 | 119.5° | 118.5° |
| C6 | C5 | CAI | 103.7° | 106.5° |
| N1 | C2 | N3 | 121.0° | 122.7° |
| N1 | C2 | H2 | 119.5° | 118.7° |
| C2 | N3 | C4 | 120.1° | 121.1° |
| N3 | C2 | H2 | 119.5° | 118.6° |
| N3 | C4 | NAN | 119.9° | 120.8° |
| N3 | C4 | C5 | 119.2° | 118.4° |
| NAN | C4 | C5 | 120.8° | 120.8° |
| C4 | NAN | HAN1 | 109.5° | 120.0° |
| C4 | NAN | HAN2 | 109.4° | 120.0° |
| C4 | C5 | CAI | 136.8° | 135.0° |
| C5 | CAI | CAM | 127.3° | 126.4° |
| CAI | CAM | CAO | 173.7° | 180.0° |
| CAM | CAO | CAP | 176.0° | 179.9° |
| CAO | CAP | CAQ | 120.1° | 120.6° |
| CAO | CAP | CAS | 119.8° | 120.6° |
| CAQ | CAP | CAS | 120.2° | 118.8° |
| CAP | CAQ | CAR | 117.7° | 118.3° |
| CAP | CAQ | HAQ | 121.2° | 120.8° |
| CAP | CAS | NAT | 120.3° | 120.5° |
| CAP | CAS | HAS | 119.9° | 119.7° |
| CAQ | CAR | CAU | 119.4° | 119.3° |
| CAR | CAQ | HAQ | 121.1° | 120.9° |
| CAQ | CAR | HAR | 120.3° | 120.3° |
| CAR | CAU | NAT | 121.3° | 121.1° |
| CAU | CAR | HAR | 120.3° | 120.4° |
| CAR | CAU | HAU | 119.4° | 119.4° |
| CAU | NAT | CAS | 121.1° | 121.9° |
| NAT | CAU | HAU | 119.3° | 119.5° |
| NAT | CAS | HAS | 119.9° | 119.8° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAC1 | CAC | HAC2 | 109.5° | 109.5° |
| HAC1 | CAC | HAC3 | 109.4° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAN1 | NAN | HAN2 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAB | CAC | NAE | 128.5° | 120.0° |
| CAA | CAB | CAC | HAB | 114.8° | 120.0° |
| CAA | CAB | NAE | HAB | 114.2° | 120.0° |
| CAA | CAB | NAE | NAD | 178.8° | 60.0° |
| CAA | CAB | NAE | C6 | 2.1° | 119.8° |
| CAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAB | CAC | HAC1 | 100.3° | 60.0° |
| CAA | CAB | CAC | HAC2 | 19.8° | 60.0° |
| CAA | CAB | CAC | HAC3 | 139.8° | 180.0° |
| CAC | CAB | NAE | HAB | 119.9° | 120.0° |
| CAC | CAB | NAE | NAD | 55.3° | 60.0° |
| CAC | CAB | NAE | C6 | 127.9° | 120.2° |
| CAC | CAB | CAA | HAA1 | 118.5° | 60.0° |
| CAC | CAB | CAA | HAA2 | 121.5° | 180.0° |
| CAC | CAB | CAA | HAA3 | 1.5° | 60.0° |
| CAB | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| CAB | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| CAB | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAB | NAE | NAD | C6 | 177.5° | 179.8° |
| CAB | NAE | NAD | CAI | 175.7° | 179.9° |
| CAB | NAE | C6 | N1 | 2.1° | 0.2° |
| CAB | NAE | C6 | C5 | 177.3° | 180.0° |
| NAE | CAB | CAA | HAA1 | 117.0° | 180.0° |
| NAE | CAB | CAA | HAA2 | 3.0° | 60.0° |
| NAE | CAB | CAA | HAA3 | 123.0° | 60.0° |
| NAE | CAB | CAC | HAC1 | 131.2° | 180.0° |
| NAE | CAB | CAC | HAC2 | 108.7° | 60.0° |
| NAE | CAB | CAC | HAC3 | 11.3° | 60.0° |
| NAD | NAE | C6 | N1 | 179.1° | 179.6° |
| NAD | NAE | C6 | C5 | 0.3° | 0.2° |
| NAE | NAD | CAI | C5 | 3.1° | 0.2° |
| NAE | NAD | CAI | CAM | 176.9° | 180.0° |
| NAD | NAE | CAB | HAB | 64.6° | 180.0° |
| C6 | NAE | NAD | CAI | 1.7° | 0.2° |
| NAE | C6 | N1 | C5 | 179.3° | 179.8° |
| NAE | C6 | N1 | C2 | 179.8° | 179.9° |
| NAE | C6 | C5 | C4 | 179.6° | 180.0° |
| NAE | C6 | C5 | CAI | 2.0° | 0.1° |
| C6 | NAE | CAB | HAB | 112.1° | 0.2° |
| NAD | CAI | C5 | C6 | 3.0° | 0.1° |
| NAD | CAI | C5 | C4 | 179.0° | 179.8° |
| NAD | CAI | C5 | CAM | 173.5° | 179.8° |
| NAD | CAI | CAM | CAO | 11.5° | 21.2° |
| C6 | N1 | C2 | N3 | 0.7° | 0.1° |
| N1 | C6 | C5 | C4 | 0.9° | 0.1° |
| N1 | C6 | C5 | CAI | 177.5° | 179.8° |
| C6 | N1 | C2 | H2 | 179.4° | 180.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.1° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C6 | C5 | C4 | NAN | 179.2° | 180.0° |
| C6 | C5 | C4 | CAI | 177.7° | 179.8° |
| C6 | C5 | CAI | CAM | 176.6° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.4° | 0.1° |
| C2 | N3 | C4 | NAN | 178.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.1° |
| N3 | C4 | NAN | C5 | 179.1° | 179.9° |
| N3 | C4 | C5 | CAI | 177.5° | 179.7° |
| C4 | N3 | C2 | H2 | 178.6° | 180.0° |
| N3 | C4 | NAN | HAN1 | 61.8° | 0.2° |
| N3 | C4 | NAN | HAN2 | 58.2° | 180.0° |
| NAN | C4 | C5 | CAI | 1.5° | 0.2° |
| C4 | NAN | HAN1 | HAN2 | 120.0° | 179.9° |
| C4 | C5 | CAI | CAM | 5.5° | 0.0° |
| C5 | C4 | NAN | HAN1 | 119.1° | 180.0° |
| C5 | C4 | NAN | HAN2 | 120.9° | 0.1° |
| C5 | CAI | CAM | CAO | 175.8° | 158.6° |
| CAI | CAM | CAO | CAP | 3.6° | 166.6° |
| CAM | CAO | CAP | CAQ | 162.6° | 7.9° |
| CAM | CAO | CAP | CAS | 16.5° | 171.9° |
| CAO | CAP | CAQ | CAS | 179.1° | 179.7° |
| CAO | CAP | CAQ | CAR | 179.3° | 180.0° |
| CAO | CAP | CAS | NAT | 178.9° | 179.6° |
| CAO | CAP | CAQ | HAQ | 0.7° | 0.1° |
| CAO | CAP | CAS | HAS | 1.1° | 0.0° |
| CAP | CAQ | CAR | HAQ | 180.0° | 179.9° |
| CAP | CAQ | CAR | CAU | 1.0° | 0.0° |
| CAQ | CAP | CAS | NAT | 2.0° | 0.6° |
| CAQ | CAP | CAS | HAS | 178.0° | 179.7° |
| CAP | CAQ | CAR | HAR | 179.0° | 180.0° |
| CAS | CAP | CAQ | CAR | 1.6° | 0.3° |
| CAP | CAS | NAT | CAU | 1.9° | 0.7° |
| CAP | CAS | NAT | HAS | 180.0° | 179.6° |
| CAS | CAP | CAQ | HAQ | 178.4° | 179.8° |
| CAQ | CAR | CAU | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAU | NAT | 0.9° | 0.1° |
| CAQ | CAR | CAU | HAU | 179.1° | 180.0° |
| CAR | CAU | NAT | HAU | 180.0° | 180.0° |
| CAR | CAU | NAT | CAS | 1.3° | 0.4° |
| CAU | CAR | CAQ | HAQ | 179.0° | 179.9° |
| CAU | NAT | CAS | HAS | 178.1° | 179.7° |
| NAT | CAU | CAR | HAR | 179.1° | 180.0° |
| CAS | NAT | CAU | HAU | 178.7° | 179.6° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAA1 | CAA | CAB | HAB | 1.2° | 60.0° |
| HAA2 | CAA | CAB | HAB | 118.8° | 60.0° |
| HAA3 | CAA | CAB | HAB | 121.2° | 180.0° |
| HAB | CAB | CAC | HAC1 | 14.5° | 60.0° |
| HAB | CAB | CAC | HAC2 | 134.6° | 180.0° |
| HAB | CAB | CAC | HAC3 | 105.5° | 60.0° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| HAQ | CAQ | CAR | HAR | 1.0° | 0.1° |
| HAR | CAR | CAU | HAU | 0.8° | 0.0° |
