5MX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.31Å | 1.33Å | |
| N1 | C8A | sing | 1.35Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.35Å | |
| C2 | N3 | sing | 1.36Å | 1.40Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | O4 | doub | 1.22Å | 1.26Å | |
| C4 | C4A | sing | 1.48Å | 1.39Å | |
| N5 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
| N5 | C4A | sing | 1.32Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N8 | doub | 1.33Å | 1.34Å | Aromatic |
| C7 | CAM | sing | 1.48Å | 1.43Å | |
| N8 | C8A | sing | 1.33Å | 1.36Å | Aromatic |
| C4A | C8A | doub | 1.42Å | 1.40Å | Aromatic |
| CAM | OAN | doub | 1.21Å | 1.23Å | |
| CAM | NAO | sing | 1.35Å | 1.36Å | |
| NAO | CAP | sing | 1.47Å | 1.45Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAP | CAQ | sing | 1.53Å | 1.55Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAQ | NAR | sing | 1.47Å | 1.48Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAR | CAS | sing | 1.35Å | 1.35Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAS | OAT | sing | 1.35Å | 1.43Å | |
| CAS | OAU | doub | 1.21Å | 1.25Å | |
| OAT | C11 | sing | 1.45Å | 1.43Å | |
| C11 | C12 | sing | 1.51Å | 1.09Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.38Å | 1.54Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.54Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.54Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.54Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.54Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.54Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 122.0° | 121.7° |
| N1 | C2 | N2 | 121.1° | 118.4° |
| N1 | C2 | N3 | 119.4° | 123.2° |
| N1 | C8A | N8 | 118.2° | 121.4° |
| N1 | C8A | C4A | 121.1° | 119.2° |
| N2 | C2 | N3 | 119.0° | 118.4° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 118.2° | 120.4° |
| C2 | N3 | HN3 | 120.9° | 119.8° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| C4 | N3 | HN3 | 120.9° | 119.7° |
| N3 | C4 | O4 | 114.9° | 121.3° |
| N3 | C4 | C4A | 121.3° | 117.5° |
| O4 | C4 | C4A | 122.7° | 121.2° |
| C4 | C4A | N5 | 124.2° | 121.7° |
| C4 | C4A | C8A | 116.3° | 118.0° |
| C6 | N5 | C4A | 121.2° | 119.7° |
| N5 | C6 | C7 | 117.9° | 120.4° |
| N5 | C6 | H6 | 121.1° | 119.8° |
| N5 | C4A | C8A | 118.7° | 120.3° |
| C7 | C6 | H6 | 121.0° | 119.8° |
| C6 | C7 | N8 | 120.4° | 120.5° |
| C6 | C7 | CAM | 117.4° | 119.8° |
| N8 | C7 | CAM | 121.6° | 119.8° |
| C7 | N8 | C8A | 120.0° | 119.6° |
| C7 | CAM | OAN | 121.3° | 120.0° |
| C7 | CAM | NAO | 116.9° | 120.0° |
| N8 | C8A | C4A | 120.4° | 119.5° |
| OAN | CAM | NAO | 119.1° | 120.0° |
| CAM | NAO | CAP | 120.6° | 120.0° |
| CAM | NAO | HNAO | 119.7° | 120.0° |
| CAP | NAO | HNAO | 119.7° | 120.0° |
| NAO | CAP | CAQ | 109.8° | 109.5° |
| NAO | CAP | HAP | 109.4° | 109.5° |
| NAO | CAP | HAPA | 109.4° | 109.5° |
| CAQ | CAP | HAP | 109.4° | 109.5° |
| CAQ | CAP | HAPA | 109.4° | 109.5° |
| CAP | CAQ | NAR | 115.3° | 109.4° |
| CAP | CAQ | HAQ | 108.0° | 109.5° |
| CAP | CAQ | HAQA | 108.0° | 109.5° |
| HAP | CAP | HAPA | 109.4° | 109.5° |
| NAR | CAQ | HAQ | 108.0° | 109.4° |
| NAR | CAQ | HAQA | 108.0° | 109.4° |
| CAQ | NAR | CAS | 122.1° | 120.0° |
| CAQ | NAR | HNAR | 119.0° | 120.0° |
| HAQ | CAQ | HAQA | 109.5° | 109.5° |
| CAS | NAR | HNAR | 118.9° | 120.0° |
| NAR | CAS | OAT | 120.8° | 120.0° |
| NAR | CAS | OAU | 118.8° | 120.0° |
| OAT | CAS | OAU | 120.4° | 120.0° |
| CAS | OAT | C11 | 109.4° | 117.0° |
| OAT | C11 | C12 | 109.5° | 109.5° |
| OAT | C11 | H11 | 109.5° | 109.5° |
| OAT | C11 | H12 | 109.5° | 109.5° |
| C12 | C11 | H11 | 109.5° | 109.5° |
| C12 | C11 | H12 | 109.5° | 109.5° |
| C11 | C12 | C13 | 135.0° | 120.0° |
| C11 | C12 | C17 | 105.0° | 120.0° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | C17 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | C12 | 120.0° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C12 | C17 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 171.3° | 179.9° |
| N1 | C2 | N2 | HN2 | 0.0° | 0.1° |
| N1 | C2 | N2 | HN2A | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 9.2° | 0.1° |
| N1 | C2 | N3 | HN3 | 170.8° | 179.9° |
| C2 | N1 | C8A | N8 | 173.8° | 179.9° |
| C2 | N1 | C8A | C4A | 12.9° | 0.0° |
| C8A | N1 | C2 | N2 | 177.5° | 180.0° |
| C8A | N1 | C2 | N3 | 11.2° | 0.1° |
| N1 | C8A | C4A | C4 | 12.1° | 0.0° |
| N1 | C8A | C4A | N5 | 177.7° | 180.0° |
| N1 | C8A | N8 | C7 | 178.8° | 180.0° |
| N1 | C8A | N8 | C4A | 173.3° | 180.0° |
| C2 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| N2 | C2 | N3 | C4 | 179.4° | 180.0° |
| N2 | C2 | N3 | HN3 | 0.6° | 0.0° |
| N3 | C2 | N2 | HN2 | 171.3° | 180.0° |
| N3 | C2 | N2 | HN2A | 8.7° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 177.6° | 179.9° |
| C2 | N3 | C4 | C4A | 9.2° | 0.0° |
| N3 | C4 | O4 | C4A | 168.2° | 179.9° |
| N3 | C4 | C4A | N5 | 179.9° | 179.9° |
| N3 | C4 | C4A | C8A | 10.4° | 0.0° |
| HN3 | N3 | C4 | O4 | 2.4° | 0.1° |
| HN3 | N3 | C4 | C4A | 170.8° | 180.0° |
| O4 | C4 | C4A | N5 | 12.5° | 0.0° |
| O4 | C4 | C4A | C8A | 177.8° | 180.0° |
| C4 | C4A | N5 | C6 | 174.8° | 180.0° |
| C4 | C4A | N5 | C8A | 169.4° | 180.0° |
| C4 | C4A | C8A | N8 | 174.8° | 180.0° |
| N5 | C6 | C7 | H6 | 180.0° | 179.9° |
| N5 | C6 | C7 | N8 | 12.2° | 0.1° |
| N5 | C6 | C7 | CAM | 176.5° | 179.9° |
| C6 | N5 | C4A | C8A | 5.4° | 0.1° |
| C4A | N5 | C6 | C7 | 9.0° | 0.1° |
| C4A | N5 | C6 | H6 | 171.0° | 180.0° |
| N5 | C4A | C8A | N8 | 4.6° | 0.0° |
| C6 | C7 | N8 | CAM | 170.9° | 179.9° |
| C6 | C7 | N8 | C8A | 11.7° | 0.0° |
| C6 | C7 | CAM | OAN | 178.5° | 0.0° |
| C6 | C7 | CAM | NAO | 20.3° | 180.0° |
| H6 | C6 | C7 | N8 | 167.8° | 179.9° |
| H6 | C6 | C7 | CAM | 3.5° | 0.0° |
| C7 | N8 | C8A | C4A | 7.9° | 0.0° |
| N8 | C7 | CAM | OAN | 7.3° | 180.0° |
| N8 | C7 | CAM | NAO | 168.6° | 0.0° |
| CAM | C7 | N8 | C8A | 177.4° | 180.0° |
| C7 | CAM | OAN | NAO | 160.9° | 180.0° |
| C7 | CAM | NAO | CAP | 179.8° | 180.0° |
| C7 | CAM | NAO | HNAO | 0.2° | 0.0° |
| OAN | CAM | NAO | CAP | 18.1° | 0.0° |
| OAN | CAM | NAO | HNAO | 161.9° | 180.0° |
| CAM | NAO | CAP | HNAO | 180.0° | 180.0° |
| CAM | NAO | CAP | CAQ | 105.3° | 180.0° |
| CAM | NAO | CAP | HAP | 14.7° | 60.0° |
| CAM | NAO | CAP | HAPA | 134.6° | 60.0° |
| NAO | CAP | CAQ | HAP | 120.1° | 120.0° |
| NAO | CAP | CAQ | HAPA | 120.1° | 120.0° |
| NAO | CAP | HAP | HAPA | 119.9° | 120.0° |
| NAO | CAP | CAQ | NAR | 43.3° | 180.0° |
| NAO | CAP | CAQ | HAQ | 164.1° | 60.1° |
| NAO | CAP | CAQ | HAQA | 77.6° | 60.1° |
| HNAO | NAO | CAP | CAQ | 74.7° | 0.0° |
| HNAO | NAO | CAP | HAP | 165.2° | 120.0° |
| HNAO | NAO | CAP | HAPA | 45.4° | 120.0° |
| CAQ | CAP | HAP | HAPA | 119.9° | 120.0° |
| CAP | CAQ | NAR | HAQ | 120.8° | 120.0° |
| CAP | CAQ | NAR | HAQA | 120.9° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 117.3° | 120.1° |
| CAP | CAQ | NAR | CAS | 121.2° | 180.0° |
| CAP | CAQ | NAR | HNAR | 58.8° | 0.0° |
| HAP | CAP | CAQ | NAR | 76.8° | 60.0° |
| HAP | CAP | CAQ | HAQ | 44.1° | 180.0° |
| HAP | CAP | CAQ | HAQA | 162.3° | 59.9° |
| HAPA | CAP | CAQ | NAR | 163.3° | 60.0° |
| HAPA | CAP | CAQ | HAQ | 75.8° | 60.0° |
| HAPA | CAP | CAQ | HAQA | 42.5° | 179.9° |
| NAR | CAQ | HAQ | HAQA | 117.4° | 120.0° |
| CAQ | NAR | CAS | HNAR | 180.0° | 180.0° |
| CAQ | NAR | CAS | OAT | 2.2° | 180.0° |
| CAQ | NAR | CAS | OAU | 178.3° | 0.0° |
| HAQ | CAQ | NAR | CAS | 0.4° | 60.0° |
| HAQ | CAQ | NAR | HNAR | 179.6° | 120.0° |
| HAQA | CAQ | NAR | CAS | 117.9° | 60.0° |
| HAQA | CAQ | NAR | HNAR | 62.1° | 120.0° |
| NAR | CAS | OAT | OAU | 179.4° | 180.0° |
| NAR | CAS | OAT | C11 | 112.3° | 180.0° |
| HNAR | NAR | CAS | OAT | 177.8° | 0.0° |
| HNAR | NAR | CAS | OAU | 1.6° | 180.0° |
| CAS | OAT | C11 | C12 | 158.3° | 180.0° |
| CAS | OAT | C11 | H11 | 81.7° | 60.0° |
| CAS | OAT | C11 | H12 | 38.3° | 60.0° |
| OAU | CAS | OAT | C11 | 68.3° | 0.0° |
| OAT | C11 | C12 | H11 | 120.0° | 120.0° |
| OAT | C11 | C12 | H12 | 120.0° | 120.0° |
| OAT | C11 | H11 | H12 | 120.0° | 120.0° |
| OAT | C11 | C12 | C13 | 82.7° | 90.0° |
| OAT | C11 | C12 | C17 | 97.8° | 90.3° |
| C12 | C11 | H11 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | C17 | 179.5° | 179.7° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C17 | C16 | 179.6° | 179.8° |
| C11 | C12 | C13 | H13 | 0.5° | 0.0° |
| C11 | C12 | C17 | H17 | 0.4° | 0.0° |
| H11 | C11 | C12 | C13 | 157.3° | 30.0° |
| H11 | C11 | C12 | C17 | 22.2° | 149.7° |
| H12 | C11 | C12 | C13 | 37.3° | 150.0° |
| H12 | C11 | C12 | C17 | 142.2° | 29.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C13 | C12 | C17 | C16 | 0.0° | 0.5° |
| C12 | C13 | C14 | H14 | 180.0° | 179.9° |
| C13 | C12 | C17 | H17 | 180.0° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C14 | C13 | C12 | C17 | 0.0° | 0.3° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C15 | C14 | C13 | H13 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.0° | 0.5° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C17 | C12 | H17 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 180.0° | 179.8° |
| C17 | C12 | C13 | H13 | 180.0° | 179.7° |
| C12 | C17 | C16 | H16 | 180.0° | 179.7° |
| H13 | C13 | C14 | H14 | 0.0° | 0.0° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
