D16
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.43Å | |
| N1 | C8A | sing | 1.38Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | CM2 | sing | 1.51Å | 1.50Å | |
| C2 | N3 | doub | 1.30Å | 1.42Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| N3 | C4 | sing | 1.35Å | 1.42Å | |
| C4 | O4 | doub | 1.22Å | 1.21Å | |
| C4 | C4A | sing | 1.47Å | 1.52Å | |
| C4A | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C4A | C8A | sing | 1.41Å | 1.43Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.44Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.39Å | 1.44Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.59Å | |
| C7 | C8 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C8A | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | N10 | sing | 1.46Å | 1.56Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N10 | C14 | sing | 1.39Å | 1.45Å | |
| N10 | CP1 | sing | 1.46Å | 1.47Å | |
| C11 | S13 | sing | 1.76Å | 1.74Å | Aromatic |
| C11 | C16 | doub | 1.37Å | 1.35Å | Aromatic |
| C11 | C | sing | 1.42Å | 1.55Å | |
| S13 | C14 | sing | 1.71Å | 1.74Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | N | sing | 1.35Å | 1.38Å | |
| N | CA | sing | 1.46Å | 1.48Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.59Å | |
| CA | CT | sing | 1.51Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.60Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.58Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | OE1 | doub | 1.21Å | 1.24Å | |
| CD | OE2 | sing | 1.34Å | 1.25Å | |
| OE2 | HOE2 | sing | 0.97Å | 0.95Å | |
| CT | O1 | doub | 1.21Å | 1.25Å | |
| CT | O2 | sing | 1.34Å | 1.24Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CP1 | HP11 | sing | 1.09Å | 1.10Å | |
| CP1 | HP12 | sing | 1.09Å | 1.10Å | |
| CP1 | HP13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 122.2° | 120.5° |
| C2 | N1 | HN1 | 118.9° | 119.8° |
| N1 | C2 | CM2 | 121.0° | 118.3° |
| N1 | C2 | N3 | 118.9° | 123.4° |
| C8A | N1 | HN1 | 118.9° | 119.7° |
| N1 | C8A | C4A | 119.3° | 118.4° |
| N1 | C8A | C8 | 117.7° | 122.0° |
| CM2 | C2 | N3 | 120.1° | 118.3° |
| C2 | CM2 | HM21 | 109.5° | 109.5° |
| C2 | CM2 | HM22 | 109.5° | 109.5° |
| C2 | CM2 | HM23 | 109.5° | 109.5° |
| C2 | N3 | C4 | 123.0° | 121.7° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.5° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.4° |
| N3 | C4 | O4 | 122.1° | 121.0° |
| N3 | C4 | C4A | 116.0° | 118.1° |
| O4 | C4 | C4A | 122.0° | 121.0° |
| C4 | C4A | C5 | 122.5° | 122.1° |
| C4 | C4A | C8A | 120.4° | 117.9° |
| C5 | C4A | C8A | 117.1° | 120.1° |
| C4A | C5 | C6 | 123.3° | 119.4° |
| C4A | C5 | H5 | 118.4° | 120.3° |
| C4A | C8A | C8 | 122.9° | 119.6° |
| C6 | C5 | H5 | 118.4° | 120.3° |
| C5 | C6 | C7 | 116.9° | 120.5° |
| C5 | C6 | C9 | 121.7° | 119.7° |
| C7 | C6 | C9 | 121.4° | 119.8° |
| C6 | C7 | C8 | 121.3° | 120.7° |
| C6 | C7 | H7 | 119.3° | 119.7° |
| C6 | C9 | N10 | 118.8° | 109.5° |
| C6 | C9 | H91 | 107.1° | 109.4° |
| C6 | C9 | H92 | 107.1° | 109.5° |
| C8 | C7 | H7 | 119.4° | 119.6° |
| C7 | C8 | C8A | 118.6° | 119.7° |
| C7 | C8 | H8 | 120.7° | 120.1° |
| C8A | C8 | H8 | 120.7° | 120.2° |
| N10 | C9 | H91 | 107.1° | 109.5° |
| N10 | C9 | H92 | 107.1° | 109.5° |
| C9 | N10 | C14 | 122.4° | 120.0° |
| C9 | N10 | CP1 | 116.7° | 120.0° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| C14 | N10 | CP1 | 120.5° | 120.0° |
| N10 | C14 | S13 | 127.2° | 124.6° |
| N10 | C14 | C15 | 124.7° | 124.6° |
| N10 | CP1 | HP11 | 109.5° | 109.4° |
| N10 | CP1 | HP12 | 109.5° | 109.5° |
| N10 | CP1 | HP13 | 109.5° | 109.5° |
| S13 | C11 | C16 | 110.4° | 109.4° |
| S13 | C11 | C | 118.9° | 125.3° |
| C11 | S13 | C14 | 92.6° | 91.6° |
| C16 | C11 | C | 130.7° | 125.3° |
| C11 | C16 | C15 | 112.6° | 113.5° |
| C11 | C16 | H16 | 123.7° | 123.2° |
| C11 | C | O | 118.7° | 120.0° |
| C11 | C | N | 117.5° | 120.0° |
| S13 | C14 | C15 | 108.0° | 110.8° |
| C14 | C15 | C16 | 116.4° | 114.7° |
| C14 | C15 | H15 | 121.8° | 122.7° |
| C16 | C15 | H15 | 121.8° | 122.7° |
| C15 | C16 | H16 | 123.7° | 123.2° |
| O | C | N | 123.3° | 120.0° |
| C | N | CA | 118.6° | 120.0° |
| C | N | HN | 120.7° | 120.0° |
| CA | N | HN | 120.7° | 120.0° |
| N | CA | CB | 114.1° | 109.5° |
| N | CA | CT | 108.2° | 109.5° |
| N | CA | HA | 106.0° | 109.5° |
| CB | CA | CT | 117.7° | 109.5° |
| CB | CA | HA | 104.8° | 109.4° |
| CA | CB | CG | 123.0° | 109.5° |
| CA | CB | HB1 | 106.0° | 109.5° |
| CA | CB | HB2 | 106.0° | 109.5° |
| CT | CA | HA | 104.9° | 109.5° |
| CA | CT | O1 | 116.0° | 120.0° |
| CA | CT | O2 | 116.0° | 120.0° |
| CG | CB | HB1 | 106.0° | 109.4° |
| CG | CB | HB2 | 106.0° | 109.4° |
| CB | CG | CD | 113.8° | 109.5° |
| CB | CG | HG1 | 108.4° | 109.4° |
| CB | CG | HG2 | 108.4° | 109.5° |
| HB1 | CB | HB2 | 109.4° | 109.5° |
| CD | CG | HG1 | 108.4° | 109.5° |
| CD | CG | HG2 | 108.4° | 109.5° |
| CG | CD | OE1 | 115.6° | 120.0° |
| CG | CD | OE2 | 116.5° | 120.0° |
| HG1 | CG | HG2 | 109.4° | 109.5° |
| OE1 | CD | OE2 | 127.9° | 120.0° |
| CD | OE2 | HOE2 | 109.5° | 117.0° |
| O1 | CT | O2 | 128.0° | 120.0° |
| CT | O2 | HO2 | 109.5° | 117.0° |
| HP11 | CP1 | HP12 | 109.5° | 109.4° |
| HP11 | CP1 | HP13 | 109.5° | 109.5° |
| HP12 | CP1 | HP13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C8A | HN1 | 180.0° | 179.7° |
| N1 | C2 | CM2 | N3 | 179.8° | 179.9° |
| N1 | C2 | CM2 | HM21 | 179.8° | 89.9° |
| N1 | C2 | CM2 | HM22 | 60.2° | 150.0° |
| N1 | C2 | CM2 | HM23 | 59.8° | 30.1° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C8A | C4A | 0.1° | 0.0° |
| C2 | N1 | C8A | C8 | 179.8° | 180.0° |
| C8A | N1 | C2 | CM2 | 179.7° | 179.9° |
| C8A | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C8A | C4A | C4 | 0.3° | 0.1° |
| N1 | C8A | C4A | C5 | 179.7° | 180.0° |
| N1 | C8A | C4A | C8 | 179.7° | 179.9° |
| N1 | C8A | C8 | C7 | 179.7° | 180.0° |
| N1 | C8A | C8 | H8 | 0.4° | 0.1° |
| HN1 | N1 | C2 | CM2 | 0.3° | 0.2° |
| HN1 | N1 | C2 | N3 | 179.9° | 179.7° |
| HN1 | N1 | C8A | C4A | 179.9° | 179.7° |
| HN1 | N1 | C8A | C8 | 0.2° | 0.3° |
| C2 | CM2 | HM21 | HM22 | 120.0° | 120.1° |
| C2 | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| C2 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| CM2 | C2 | N3 | C4 | 179.7° | 179.9° |
| N3 | C2 | CM2 | HM21 | 0.0° | 90.0° |
| N3 | C2 | CM2 | HM22 | 120.0° | 30.1° |
| N3 | C2 | CM2 | HM23 | 120.0° | 150.0° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.1° | 0.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 119.9° |
| N3 | C4 | O4 | C4A | 179.9° | 179.9° |
| N3 | C4 | C4A | C5 | 179.7° | 180.0° |
| N3 | C4 | C4A | C8A | 0.3° | 0.1° |
| O4 | C4 | C4A | C5 | 0.2° | 0.1° |
| O4 | C4 | C4A | C8A | 179.8° | 180.0° |
| C4 | C4A | C5 | C8A | 180.0° | 179.9° |
| C4 | C4A | C5 | C6 | 179.8° | 179.9° |
| C4 | C4A | C5 | H5 | 0.2° | 0.1° |
| C4 | C4A | C8A | C8 | 180.0° | 180.0° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C4A | C5 | C6 | C7 | 0.3° | 0.1° |
| C4A | C5 | C6 | C9 | 179.6° | 180.0° |
| C5 | C4A | C8A | C8 | 0.0° | 0.0° |
| C8A | C4A | C5 | C6 | 0.1° | 0.0° |
| C8A | C4A | C5 | H5 | 179.8° | 180.0° |
| C4A | C8A | C8 | C7 | 0.1° | 0.1° |
| C4A | C8A | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | C7 | C9 | 179.8° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C7 | H7 | 179.8° | 179.9° |
| C5 | C6 | C9 | N10 | 20.8° | 90.0° |
| C5 | C6 | C9 | H91 | 142.1° | 150.0° |
| C5 | C6 | C9 | H92 | 100.5° | 30.0° |
| H5 | C5 | C6 | C7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C8A | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| C7 | C6 | C9 | N10 | 159.0° | 90.0° |
| C7 | C6 | C9 | H91 | 37.7° | 30.0° |
| C7 | C6 | C9 | H92 | 79.7° | 150.0° |
| C9 | C6 | C7 | C8 | 179.6° | 180.0° |
| C9 | C6 | C7 | H7 | 0.4° | 0.0° |
| C6 | C9 | N10 | H91 | 121.3° | 120.0° |
| C6 | C9 | N10 | H92 | 121.3° | 120.0° |
| C6 | C9 | H91 | H92 | 115.8° | 120.0° |
| C6 | C9 | N10 | C14 | 62.9° | 89.9° |
| C6 | C9 | N10 | CP1 | 124.1° | 90.0° |
| C7 | C8 | C8A | H8 | 180.0° | 180.0° |
| H7 | C7 | C8 | C8A | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| N10 | C9 | H91 | H92 | 115.7° | 120.0° |
| C9 | N10 | C14 | CP1 | 172.7° | 180.0° |
| C9 | N10 | C14 | S13 | 9.9° | 0.1° |
| C9 | N10 | C14 | C15 | 172.0° | 180.0° |
| C9 | N10 | CP1 | HP11 | 180.0° | 90.0° |
| C9 | N10 | CP1 | HP12 | 60.0° | 150.1° |
| C9 | N10 | CP1 | HP13 | 60.0° | 30.0° |
| H91 | C9 | N10 | C14 | 58.4° | 30.0° |
| H91 | C9 | N10 | CP1 | 114.6° | 150.0° |
| H92 | C9 | N10 | C14 | 175.8° | 150.0° |
| H92 | C9 | N10 | CP1 | 2.8° | 30.0° |
| N10 | C14 | S13 | C11 | 177.5° | 180.0° |
| N10 | C14 | S13 | C15 | 178.4° | 180.0° |
| N10 | C14 | C15 | C16 | 177.3° | 180.0° |
| N10 | C14 | C15 | H15 | 2.7° | 0.0° |
| C14 | N10 | CP1 | HP11 | 6.9° | 90.0° |
| C14 | N10 | CP1 | HP12 | 113.1° | 30.0° |
| C14 | N10 | CP1 | HP13 | 126.9° | 150.1° |
| CP1 | N10 | C14 | S13 | 162.9° | 180.0° |
| CP1 | N10 | C14 | C15 | 15.2° | 0.0° |
| N10 | CP1 | HP11 | HP12 | 120.0° | 120.0° |
| N10 | CP1 | HP11 | HP13 | 120.0° | 120.0° |
| N10 | CP1 | HP12 | HP13 | 120.0° | 120.0° |
| S13 | C11 | C16 | C | 179.7° | 179.7° |
| C11 | S13 | C14 | C15 | 0.9° | 0.0° |
| S13 | C11 | C16 | C15 | 0.0° | 0.0° |
| S13 | C11 | C16 | H16 | 180.0° | 180.0° |
| S13 | C11 | C | O | 7.4° | 180.0° |
| S13 | C11 | C | N | 179.8° | 0.1° |
| C16 | C11 | S13 | C14 | 0.5° | 0.0° |
| C11 | C16 | C15 | C14 | 0.7° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 180.0° |
| C11 | C16 | C15 | H15 | 179.2° | 180.0° |
| C16 | C11 | C | O | 172.9° | 0.3° |
| C16 | C11 | C | N | 0.1° | 179.8° |
| C | C11 | S13 | C14 | 179.7° | 179.7° |
| C | C11 | C16 | C15 | 179.7° | 179.7° |
| C | C11 | C16 | H16 | 0.3° | 0.3° |
| C11 | C | O | N | 172.4° | 180.0° |
| C11 | C | N | CA | 176.9° | 180.0° |
| C11 | C | N | HN | 3.1° | 0.0° |
| S13 | C14 | C15 | C16 | 1.1° | 0.0° |
| S13 | C14 | C15 | H15 | 178.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| H15 | C15 | C16 | H16 | 0.8° | 0.0° |
| O | C | N | CA | 4.4° | 0.0° |
| O | C | N | HN | 175.6° | 180.0° |
| C | N | CA | HN | 180.0° | 180.0° |
| C | N | CA | CB | 92.6° | 155.0° |
| C | N | CA | CT | 134.3° | 85.0° |
| C | N | CA | HA | 22.3° | 35.0° |
| N | CA | CB | CT | 128.4° | 120.0° |
| N | CA | CB | HA | 115.5° | 120.0° |
| N | CA | CT | HA | 112.8° | 120.0° |
| N | CA | CB | CG | 70.8° | 65.0° |
| N | CA | CB | HB1 | 51.0° | 55.0° |
| N | CA | CB | HB2 | 167.3° | 175.0° |
| N | CA | CT | O1 | 69.5° | 0.0° |
| N | CA | CT | O2 | 110.2° | 180.0° |
| HN | N | CA | CB | 87.4° | 25.0° |
| HN | N | CA | CT | 45.7° | 95.0° |
| HN | N | CA | HA | 157.7° | 144.9° |
| CB | CA | CT | HA | 116.0° | 120.0° |
| CA | CB | CG | HB1 | 121.9° | 120.0° |
| CA | CB | CG | HB2 | 121.9° | 120.0° |
| CA | CB | HB1 | HB2 | 113.9° | 120.0° |
| CA | CB | CG | CD | 152.7° | 180.0° |
| CA | CB | CG | HG1 | 32.0° | 60.0° |
| CA | CB | CG | HG2 | 86.7° | 60.0° |
| CB | CA | CT | O1 | 61.7° | 120.0° |
| CB | CA | CT | O2 | 118.6° | 60.0° |
| CT | CA | CB | CG | 160.7° | 175.0° |
| CT | CA | CB | HB1 | 77.4° | 65.0° |
| CT | CA | CB | HB2 | 38.8° | 55.0° |
| CA | CT | O1 | O2 | 179.7° | 180.0° |
| CA | CT | O2 | HO2 | 179.7° | 180.0° |
| HA | CA | CB | CG | 44.7° | 55.0° |
| HA | CA | CB | HB1 | 166.6° | 175.0° |
| HA | CA | CB | HB2 | 77.2° | 65.0° |
| HA | CA | CT | O1 | 177.7° | 120.0° |
| HA | CA | CT | O2 | 2.6° | 60.0° |
| CG | CB | HB1 | HB2 | 114.0° | 119.9° |
| CB | CG | CD | HG1 | 120.6° | 120.0° |
| CB | CG | CD | HG2 | 120.6° | 120.0° |
| CB | CG | HG1 | HG2 | 118.0° | 120.0° |
| CB | CG | CD | OE1 | 138.9° | 0.0° |
| CB | CG | CD | OE2 | 41.1° | 180.0° |
| HB1 | CB | CG | CD | 85.5° | 60.0° |
| HB1 | CB | CG | HG1 | 153.8° | 180.0° |
| HB1 | CB | CG | HG2 | 35.2° | 60.1° |
| HB2 | CB | CG | CD | 30.8° | 60.0° |
| HB2 | CB | CG | HG1 | 89.9° | 60.0° |
| HB2 | CB | CG | HG2 | 151.5° | 180.0° |
| CD | CG | HG1 | HG2 | 118.0° | 120.0° |
| CG | CD | OE1 | OE2 | 180.0° | 180.0° |
| CG | CD | OE2 | HOE2 | 180.0° | 180.0° |
| HG1 | CG | CD | OE1 | 18.3° | 119.9° |
| HG1 | CG | CD | OE2 | 161.7° | 60.0° |
| HG2 | CG | CD | OE1 | 100.4° | 120.0° |
| HG2 | CG | CD | OE2 | 79.6° | 60.0° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 0.1° |
| O1 | CT | O2 | HO2 | 0.0° | 0.0° |
| HP11 | CP1 | HP12 | HP13 | 120.0° | 120.0° |
