UPZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | O13 | sing | 1.45Å | 1.46Å | |
| O13 | C10 | sing | 1.35Å | 1.33Å | |
| O12 | C10 | doub | 1.22Å | 1.22Å | |
| C10 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C8 | sing | 1.41Å | 1.42Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | |
| C8 | N6 | doub | 1.31Å | 1.32Å | |
| C4 | C14 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.35Å | 1.34Å | |
| N6 | C2 | sing | 1.34Å | 1.35Å | |
| N1 | C2 | sing | 1.37Å | 1.38Å | |
| N1 | N7 | sing | 1.40Å | 1.39Å | |
| C2 | C5 | doub | 1.39Å | 1.40Å | |
| N7 | C9 | sing | 1.35Å | 1.34Å | |
| C5 | C9 | sing | 1.40Å | 1.41Å | |
| C9 | O11 | doub | 1.22Å | 1.23Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | O13 | 107.0° | 109.5° |
| C16 | C15 | H5 | 110.1° | 109.5° |
| C16 | C15 | H6 | 110.1° | 109.4° |
| C15 | C16 | H7 | 109.5° | 109.4° |
| C15 | C16 | H8 | 109.5° | 109.4° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | O13 | C10 | 117.3° | 117.0° |
| O13 | C15 | H5 | 110.1° | 109.5° |
| O13 | C15 | H6 | 110.1° | 109.5° |
| O13 | C10 | O12 | 121.6° | 120.0° |
| O13 | C10 | C3 | 115.0° | 120.0° |
| O12 | C10 | C3 | 123.4° | 119.9° |
| C10 | C3 | C8 | 118.5° | 120.6° |
| C10 | C3 | C4 | 122.4° | 120.6° |
| C8 | C3 | C4 | 119.1° | 118.8° |
| C3 | C8 | N6 | 120.6° | 119.9° |
| C3 | C8 | H1 | 119.7° | 120.0° |
| C3 | C4 | C14 | 123.6° | 120.4° |
| C3 | C4 | N1 | 118.1° | 119.1° |
| C8 | N6 | C2 | 120.1° | 121.1° |
| N6 | C8 | H1 | 119.7° | 120.1° |
| C14 | C4 | N1 | 118.3° | 120.5° |
| C4 | C14 | H2 | 109.5° | 109.5° |
| C4 | C14 | H3 | 109.5° | 109.5° |
| C4 | C14 | H4 | 109.5° | 109.5° |
| C4 | N1 | C2 | 121.6° | 120.2° |
| C4 | N1 | N7 | 128.6° | 131.8° |
| N6 | C2 | N1 | 120.5° | 120.9° |
| N6 | C2 | C5 | 132.9° | 131.6° |
| C2 | N1 | N7 | 109.7° | 108.0° |
| N1 | C2 | C5 | 106.6° | 107.5° |
| N1 | N7 | C9 | 107.5° | 108.4° |
| N1 | N7 | H12 | 126.3° | 125.8° |
| C2 | C5 | C9 | 107.0° | 107.7° |
| C2 | C5 | H10 | 126.5° | 126.2° |
| N7 | C9 | C5 | 109.2° | 108.3° |
| N7 | C9 | O11 | 123.1° | 125.8° |
| C9 | N7 | H12 | 126.2° | 125.8° |
| C5 | C9 | O11 | 127.7° | 125.9° |
| C9 | C5 | H10 | 126.5° | 126.1° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H4 | 109.5° | 109.4° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | O13 | H5 | 119.6° | 120.1° |
| C16 | C15 | O13 | H6 | 119.6° | 119.9° |
| C16 | C15 | O13 | C10 | 172.4° | 180.0° |
| C16 | C15 | H5 | H6 | 121.2° | 120.0° |
| C15 | C16 | H7 | H8 | 120.0° | 119.9° |
| C15 | C16 | H7 | H9 | 120.0° | 120.0° |
| C15 | C16 | H8 | H9 | 120.0° | 120.0° |
| C15 | O13 | C10 | O12 | 2.6° | 0.0° |
| C15 | O13 | C10 | C3 | 175.5° | 180.0° |
| O13 | C15 | H5 | H6 | 121.1° | 120.0° |
| O13 | C15 | C16 | H7 | 180.0° | 180.0° |
| O13 | C15 | C16 | H8 | 60.0° | 60.0° |
| O13 | C15 | C16 | H9 | 60.0° | 59.9° |
| O13 | C10 | O12 | C3 | 177.9° | 180.0° |
| O13 | C10 | C3 | C8 | 12.6° | 104.7° |
| O13 | C10 | C3 | C4 | 167.3° | 75.6° |
| C10 | O13 | C15 | H5 | 68.0° | 59.9° |
| C10 | O13 | C15 | H6 | 52.8° | 60.0° |
| O12 | C10 | C3 | C8 | 165.4° | 75.3° |
| O12 | C10 | C3 | C4 | 14.6° | 104.4° |
| C10 | C3 | C8 | C4 | 179.9° | 179.6° |
| C10 | C3 | C8 | N6 | 179.6° | 180.0° |
| C10 | C3 | C4 | C14 | 0.1° | 0.4° |
| C10 | C3 | C4 | N1 | 179.4° | 179.9° |
| C10 | C3 | C8 | H1 | 0.4° | 0.1° |
| C3 | C8 | N6 | H1 | 180.0° | 179.9° |
| C8 | C3 | C4 | C14 | 180.0° | 180.0° |
| C8 | C3 | C4 | N1 | 0.7° | 0.5° |
| C3 | C8 | N6 | C2 | 0.8° | 0.0° |
| C4 | C3 | C8 | N6 | 0.3° | 0.4° |
| C3 | C4 | C14 | N1 | 179.3° | 179.5° |
| C3 | C4 | N1 | C2 | 1.2° | 0.2° |
| C3 | C4 | N1 | N7 | 179.9° | 179.9° |
| C4 | C3 | C8 | H1 | 179.7° | 179.5° |
| C3 | C4 | C14 | H2 | 180.0° | 5.3° |
| C3 | C4 | C14 | H3 | 60.0° | 125.3° |
| C3 | C4 | C14 | H4 | 60.0° | 114.7° |
| C8 | N6 | C2 | N1 | 0.3° | 0.3° |
| C8 | N6 | C2 | C5 | 178.8° | 179.9° |
| C14 | C4 | N1 | C2 | 179.5° | 179.7° |
| C14 | C4 | N1 | N7 | 0.7° | 0.6° |
| C4 | C14 | H2 | H3 | 120.0° | 120.0° |
| C4 | C14 | H2 | H4 | 120.0° | 120.0° |
| C4 | C14 | H3 | H4 | 120.0° | 120.0° |
| C4 | N1 | C2 | N6 | 0.7° | 0.1° |
| C4 | N1 | C2 | N7 | 179.0° | 179.8° |
| C4 | N1 | C2 | C5 | 178.2° | 180.0° |
| C4 | N1 | N7 | C9 | 177.8° | 179.7° |
| N1 | C4 | C14 | H2 | 0.7° | 175.2° |
| N1 | C4 | C14 | H3 | 119.3° | 55.2° |
| N1 | C4 | C14 | H4 | 120.7° | 64.8° |
| C4 | N1 | N7 | H12 | 2.2° | 0.2° |
| N6 | C2 | N1 | C5 | 178.9° | 179.8° |
| N6 | C2 | N1 | N7 | 179.7° | 179.6° |
| N6 | C2 | C5 | C9 | 178.9° | 180.0° |
| C2 | N6 | C8 | H1 | 179.2° | 179.9° |
| N6 | C2 | C5 | H10 | 1.1° | 0.1° |
| C2 | N1 | N7 | C9 | 1.0° | 0.6° |
| N1 | C2 | C5 | C9 | 0.3° | 0.2° |
| N1 | C2 | C5 | H10 | 179.7° | 179.7° |
| C2 | N1 | N7 | H12 | 179.0° | 179.9° |
| N7 | N1 | C2 | C5 | 0.8° | 0.2° |
| N1 | N7 | C9 | H12 | 180.0° | 179.5° |
| N1 | N7 | C9 | C5 | 0.9° | 0.7° |
| N1 | N7 | C9 | O11 | 179.2° | 179.9° |
| C2 | C5 | C9 | N7 | 0.4° | 0.5° |
| C2 | C5 | C9 | H10 | 180.0° | 179.9° |
| C2 | C5 | C9 | O11 | 179.7° | 180.0° |
| N7 | C9 | C5 | O11 | 180.0° | 179.5° |
| N7 | C9 | C5 | H10 | 179.6° | 179.4° |
| C5 | C9 | N7 | H12 | 179.2° | 179.8° |
| O11 | C9 | C5 | H10 | 0.3° | 0.1° |
| O11 | C9 | N7 | H12 | 0.8° | 0.3° |
| H2 | C14 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | C16 | H7 | 60.4° | 60.0° |
| H5 | C15 | C16 | H8 | 59.6° | 60.0° |
| H5 | C15 | C16 | H9 | 179.6° | 180.0° |
| H6 | C15 | C16 | H7 | 60.4° | 60.0° |
| H6 | C15 | C16 | H8 | 179.6° | 180.0° |
| H6 | C15 | C16 | H9 | 59.6° | 60.0° |
| H7 | C16 | H8 | H9 | 120.0° | 120.1° |
