138
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.42Å | Aromatic |
| N1 | C8A | sing | 1.34Å | 1.42Å | Aromatic |
| C2 | NA2 | sing | 1.38Å | 1.46Å | |
| C2 | N3 | sing | 1.33Å | 1.42Å | Aromatic |
| NA2 | HA21 | sing | 0.97Å | 1.02Å | |
| NA2 | HA22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | doub | 1.32Å | 1.42Å | Aromatic |
| C4 | O4 | sing | 1.35Å | 1.42Å | |
| C4 | C4A | sing | 1.41Å | 1.43Å | Aromatic |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C4A | C8A | doub | 1.42Å | 1.46Å | Aromatic |
| C4A | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C8A | C8 | sing | 1.40Å | 1.44Å | Aromatic |
| C8 | C7 | doub | 1.36Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C6 | sing | 1.39Å | 1.46Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C6 | C9 | sing | 1.51Å | 1.57Å | |
| C6 | C5 | doub | 1.36Å | 1.44Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.63Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | OA2 | sing | 1.43Å | 1.44Å | |
| C10 | CA1 | sing | 1.53Å | 1.56Å | |
| C10 | C14 | sing | 1.51Å | 1.59Å | |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| CA1 | N18 | sing | 1.47Å | 1.55Å | |
| CA1 | HA11 | sing | 1.09Å | 1.12Å | |
| CA1 | HA12 | sing | 1.09Å | 1.11Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.46Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | C11 | sing | 1.40Å | 1.45Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | C17 | sing | 1.48Å | 1.52Å | |
| C11 | C16 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | O17 | doub | 1.22Å | 1.44Å | |
| C17 | N | sing | 1.35Å | 1.32Å | |
| C16 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | doub | 1.38Å | 1.46Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 0.97Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | sing | 1.34Å | 1.41Å | |
| C | OT | doub | 1.21Å | 1.24Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.57Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.54Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | OE2 | doub | 1.21Å | 1.26Å | |
| CD | OE1 | sing | 1.34Å | 1.25Å | |
| OE1 | HE1 | sing | 0.97Å | 0.95Å | |
| C24 | O24 | sing | 1.43Å | 1.45Å | |
| C24 | C23 | sing | 1.55Å | 1.52Å | |
| C24 | C25 | sing | 1.55Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| O24 | HO5 | sing | 0.97Å | 0.95Å | |
| C23 | O23 | sing | 1.43Å | 1.41Å | |
| C23 | C22 | sing | 1.54Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O23 | HO3 | sing | 0.97Å | 0.95Å | |
| C22 | O26 | sing | 1.44Å | 1.40Å | |
| C22 | N21 | sing | 1.47Å | 1.46Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| O26 | C25 | sing | 1.44Å | 1.42Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.11Å | |
| C27 | O28 | sing | 1.43Å | 1.42Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| O28 | P29 | sing | 1.61Å | 1.54Å | |
| N21 | C20 | sing | 1.35Å | 1.31Å | |
| N21 | H21 | sing | 0.97Å | 1.02Å | |
| C20 | O20 | doub | 1.21Å | 1.25Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C19 | N18 | sing | 1.47Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| N18 | H18 | sing | 1.01Å | 1.02Å | |
| P29 | O30 | sing | 1.61Å | 1.58Å | |
| P29 | O31 | sing | 1.61Å | 1.59Å | |
| P29 | O32 | doub | 1.48Å | 1.42Å | |
| O30 | HO0 | sing | 0.97Å | 0.95Å | |
| O31 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 120.3° | 120.4° |
| N1 | C2 | NA2 | 120.4° | 118.6° |
| N1 | C2 | N3 | 120.0° | 122.7° |
| N1 | C8A | C4A | 119.6° | 118.8° |
| N1 | C8A | C8 | 120.2° | 122.0° |
| NA2 | C2 | N3 | 119.6° | 118.7° |
| C2 | NA2 | HA21 | 108.3° | 120.0° |
| C2 | NA2 | HA22 | 120.4° | 120.1° |
| C2 | N3 | C4 | 121.2° | 121.5° |
| HA21 | NA2 | HA22 | 108.3° | 119.9° |
| N3 | C4 | O4 | 118.7° | 120.8° |
| N3 | C4 | C4A | 119.8° | 118.4° |
| O4 | C4 | C4A | 121.5° | 120.8° |
| C4 | O4 | HO4 | 118.7° | 106.8° |
| C4 | C4A | C8A | 119.1° | 118.3° |
| C4 | C4A | C5 | 121.0° | 122.1° |
| C8A | C4A | C5 | 119.9° | 119.6° |
| C4A | C8A | C8 | 120.2° | 119.3° |
| C4A | C5 | C6 | 120.2° | 119.6° |
| C4A | C5 | H5 | 119.7° | 120.2° |
| C8A | C8 | C7 | 120.0° | 119.6° |
| C8A | C8 | H8 | 120.0° | 120.2° |
| C7 | C8 | H8 | 120.0° | 120.2° |
| C8 | C7 | C6 | 119.9° | 121.0° |
| C8 | C7 | H7 | 119.3° | 119.5° |
| C6 | C7 | H7 | 120.8° | 119.5° |
| C7 | C6 | C9 | 120.9° | 119.6° |
| C7 | C6 | C5 | 119.8° | 120.9° |
| C9 | C6 | C5 | 119.3° | 119.6° |
| C6 | C9 | C10 | 113.7° | 109.5° |
| C6 | C9 | H91 | 110.7° | 109.4° |
| C6 | C9 | H92 | 110.7° | 109.5° |
| C6 | C5 | H5 | 120.1° | 120.2° |
| C10 | C9 | H91 | 110.7° | 109.5° |
| C10 | C9 | H92 | 110.7° | 109.5° |
| C9 | C10 | OA2 | 111.4° | 109.4° |
| C9 | C10 | CA1 | 111.5° | 109.5° |
| C9 | C10 | C14 | 111.9° | 109.5° |
| H91 | C9 | H92 | 99.6° | 109.5° |
| OA2 | C10 | CA1 | 107.7° | 109.5° |
| OA2 | C10 | C14 | 109.8° | 109.5° |
| C10 | OA2 | HA2 | 111.4° | 106.8° |
| CA1 | C10 | C14 | 104.1° | 109.5° |
| C10 | CA1 | N18 | 100.9° | 109.5° |
| C10 | CA1 | HA11 | 115.5° | 109.5° |
| C10 | CA1 | HA12 | 115.5° | 109.5° |
| C10 | C14 | C13 | 121.5° | 119.8° |
| C10 | C14 | C15 | 119.6° | 119.9° |
| N18 | CA1 | HA11 | 115.5° | 109.4° |
| N18 | CA1 | HA12 | 115.5° | 109.5° |
| CA1 | N18 | C19 | 107.0° | 106.7° |
| CA1 | N18 | H18 | 113.2° | 106.7° |
| HA11 | CA1 | HA12 | 95.0° | 109.5° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | H13 | 119.1° | 119.9° |
| C13 | C12 | C11 | 119.8° | 119.8° |
| C13 | C12 | H12 | 119.5° | 120.1° |
| C14 | C13 | H13 | 121.0° | 119.9° |
| C13 | C14 | C15 | 118.9° | 120.3° |
| C11 | C12 | H12 | 120.7° | 120.1° |
| C12 | C11 | C17 | 121.5° | 120.1° |
| C12 | C11 | C16 | 120.6° | 119.7° |
| C17 | C11 | C16 | 117.9° | 120.1° |
| C11 | C17 | O17 | 110.4° | 120.0° |
| C11 | C17 | N | 123.6° | 120.0° |
| C11 | C16 | C15 | 120.3° | 119.8° |
| C11 | C16 | H16 | 120.3° | 120.1° |
| O17 | C17 | N | 126.0° | 120.0° |
| C17 | N | CA | 120.5° | 120.0° |
| C17 | N | H | 115.1° | 120.0° |
| C15 | C16 | H16 | 119.5° | 120.1° |
| C16 | C15 | C14 | 120.5° | 120.2° |
| C16 | C15 | H15 | 118.1° | 119.9° |
| C14 | C15 | H15 | 121.4° | 119.9° |
| CA | N | H | 124.4° | 120.0° |
| N | CA | C | 110.2° | 109.5° |
| N | CA | CB | 109.2° | 109.5° |
| N | CA | HA | 109.8° | 109.5° |
| C | CA | CB | 111.3° | 109.5° |
| C | CA | HA | 107.6° | 109.4° |
| CA | C | O | 115.4° | 120.0° |
| CA | C | OT | 122.4° | 120.0° |
| CB | CA | HA | 108.7° | 109.5° |
| CA | CB | CG | 119.2° | 109.5° |
| CA | CB | HB1 | 108.7° | 109.5° |
| CA | CB | HB2 | 108.7° | 109.5° |
| O | C | OT | 122.2° | 120.0° |
| C | O | HO | 115.4° | 120.0° |
| CG | CB | HB1 | 108.7° | 109.5° |
| CG | CB | HB2 | 108.7° | 109.5° |
| CB | CG | CD | 118.7° | 109.5° |
| CB | CG | HG1 | 108.9° | 109.5° |
| CB | CG | HG2 | 108.9° | 109.5° |
| HB1 | CB | HB2 | 101.3° | 109.4° |
| CD | CG | HG1 | 108.9° | 109.4° |
| CD | CG | HG2 | 108.9° | 109.5° |
| CG | CD | OE2 | 121.4° | 120.0° |
| CG | CD | OE1 | 116.3° | 120.0° |
| HG1 | CG | HG2 | 101.2° | 109.4° |
| OE2 | CD | OE1 | 122.2° | 120.0° |
| CD | OE1 | HE1 | 116.3° | 119.9° |
| O24 | C24 | C23 | 114.6° | 110.5° |
| O24 | C24 | C25 | 112.6° | 110.5° |
| O24 | C24 | H24 | 101.8° | 110.5° |
| C24 | O24 | HO5 | 114.6° | 106.8° |
| C23 | C24 | C25 | 102.9° | 104.1° |
| C23 | C24 | H24 | 111.6° | 110.6° |
| C24 | C23 | O23 | 115.4° | 110.5° |
| C24 | C23 | C22 | 104.0° | 104.0° |
| C24 | C23 | H23 | 110.3° | 110.5° |
| C25 | C24 | H24 | 113.7° | 110.5° |
| C24 | C25 | O26 | 105.8° | 104.8° |
| C24 | C25 | C27 | 111.0° | 110.4° |
| C24 | C25 | H25 | 110.4° | 110.3° |
| O23 | C23 | C22 | 112.3° | 110.8° |
| O23 | C23 | H23 | 101.7° | 110.5° |
| C23 | O23 | HO3 | 115.4° | 106.9° |
| C22 | C23 | H23 | 113.5° | 110.4° |
| C23 | C22 | O26 | 101.3° | 104.9° |
| C23 | C22 | N21 | 115.2° | 110.4° |
| C23 | C22 | H22 | 110.3° | 110.4° |
| O26 | C22 | N21 | 106.4° | 110.4° |
| O26 | C22 | H22 | 118.5° | 110.3° |
| C22 | O26 | C25 | 109.4° | 105.3° |
| N21 | C22 | H22 | 105.5° | 110.3° |
| C22 | N21 | C20 | 124.0° | 120.0° |
| C22 | N21 | H21 | 123.5° | 120.0° |
| O26 | C25 | C27 | 107.9° | 110.4° |
| O26 | C25 | H25 | 113.4° | 110.4° |
| C27 | C25 | H25 | 108.3° | 110.4° |
| C25 | C27 | O28 | 111.6° | 109.5° |
| C25 | C27 | H271 | 111.4° | 109.6° |
| C25 | C27 | H272 | 111.4° | 109.5° |
| O28 | C27 | H271 | 111.4° | 109.5° |
| O28 | C27 | H272 | 111.4° | 109.4° |
| C27 | O28 | P29 | 121.1° | 106.8° |
| H271 | C27 | H272 | 99.0° | 109.4° |
| O28 | P29 | O30 | 99.7° | 109.5° |
| O28 | P29 | O31 | 109.8° | 109.5° |
| O28 | P29 | O32 | 112.7° | 109.4° |
| C20 | N21 | H21 | 112.4° | 120.0° |
| N21 | C20 | O20 | 121.4° | 120.0° |
| N21 | C20 | C19 | 116.3° | 120.0° |
| O20 | C20 | C19 | 122.3° | 120.0° |
| C20 | C19 | N18 | 123.8° | 109.5° |
| C20 | C19 | H191 | 107.1° | 109.5° |
| C20 | C19 | H192 | 107.1° | 109.4° |
| N18 | C19 | H191 | 107.1° | 109.5° |
| N18 | C19 | H192 | 107.1° | 109.5° |
| C19 | N18 | H18 | 113.1° | 106.7° |
| H191 | C19 | H192 | 102.6° | 109.5° |
| O30 | P29 | O31 | 112.2° | 109.5° |
| O30 | P29 | O32 | 112.6° | 109.4° |
| P29 | O30 | HO0 | 99.7° | 106.8° |
| O31 | P29 | O32 | 109.5° | 109.5° |
| P29 | O31 | HO1 | 109.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | NA2 | N3 | 179.8° | 179.8° |
| N1 | C2 | NA2 | HA21 | 54.8° | 179.7° |
| N1 | C2 | NA2 | HA22 | 180.0° | 0.4° |
| N1 | C2 | N3 | C4 | 0.4° | 0.2° |
| C2 | N1 | C8A | C4A | 0.5° | 0.4° |
| C2 | N1 | C8A | C8 | 180.0° | 179.8° |
| C8A | N1 | C2 | NA2 | 179.7° | 179.8° |
| C8A | N1 | C2 | N3 | 0.5° | 0.4° |
| N1 | C8A | C4A | C4 | 0.5° | 0.2° |
| N1 | C8A | C4A | C8 | 179.5° | 179.8° |
| N1 | C8A | C4A | C5 | 179.7° | 179.8° |
| N1 | C8A | C8 | C7 | 179.8° | 179.7° |
| N1 | C8A | C8 | H8 | 0.2° | 0.3° |
| C2 | NA2 | HA21 | HA22 | 132.1° | 179.8° |
| NA2 | C2 | N3 | C4 | 179.8° | 180.0° |
| N3 | C2 | NA2 | HA21 | 125.1° | 0.1° |
| N3 | C2 | NA2 | HA22 | 0.2° | 179.8° |
| C2 | N3 | C4 | O4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C4A | 0.4° | 0.0° |
| N3 | C4 | O4 | C4A | 179.6° | 180.0° |
| N3 | C4 | O4 | HO4 | 180.0° | 90.1° |
| N3 | C4 | C4A | C8A | 0.4° | 0.0° |
| N3 | C4 | C4A | C5 | 179.6° | 180.0° |
| O4 | C4 | C4A | C8A | 180.0° | 180.0° |
| O4 | C4 | C4A | C5 | 0.8° | 0.0° |
| C4A | C4 | O4 | HO4 | 0.4° | 90.0° |
| C4 | C4A | C8A | C5 | 179.2° | 180.0° |
| C4 | C4A | C8A | C8 | 180.0° | 180.0° |
| C4 | C4A | C5 | C6 | 179.7° | 179.9° |
| C4 | C4A | C5 | H5 | 0.3° | 0.0° |
| C4A | C8A | C8 | C7 | 0.7° | 0.1° |
| C4A | C8A | C8 | H8 | 179.3° | 179.9° |
| C8A | C4A | C5 | C6 | 0.5° | 0.0° |
| C8A | C4A | C5 | H5 | 179.5° | 180.0° |
| C5 | C4A | C8A | C8 | 0.8° | 0.0° |
| C4A | C5 | C6 | C7 | 0.1° | 0.1° |
| C4A | C5 | C6 | C9 | 179.5° | 180.0° |
| C4A | C5 | C6 | H5 | 180.0° | 180.0° |
| C8A | C8 | C7 | H8 | 180.0° | 180.0° |
| C8A | C8 | C7 | C6 | 0.3° | 0.1° |
| C8A | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C7 | C6 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | C9 | 179.4° | 180.0° |
| C8 | C7 | C6 | C5 | 0.0° | 0.0° |
| H8 | C8 | C7 | C6 | 179.7° | 179.9° |
| H8 | C8 | C7 | H7 | 0.3° | 0.0° |
| C7 | C6 | C9 | C5 | 179.4° | 180.0° |
| C7 | C6 | C9 | C10 | 100.5° | 84.4° |
| C7 | C6 | C9 | H91 | 24.7° | 35.6° |
| C7 | C6 | C9 | H92 | 134.2° | 155.6° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| H7 | C7 | C6 | C9 | 0.7° | 0.0° |
| H7 | C7 | C6 | C5 | 180.0° | 179.9° |
| C6 | C9 | C10 | H91 | 125.3° | 120.0° |
| C6 | C9 | C10 | H92 | 125.3° | 120.0° |
| C6 | C9 | H91 | H92 | 116.5° | 120.0° |
| C6 | C9 | C10 | OA2 | 68.7° | 65.6° |
| C6 | C9 | C10 | CA1 | 170.9° | 174.4° |
| C6 | C9 | C10 | C14 | 54.7° | 54.4° |
| C9 | C6 | C5 | H5 | 0.5° | 0.0° |
| C5 | C6 | C9 | C10 | 78.9° | 95.6° |
| C5 | C6 | C9 | H91 | 155.9° | 144.4° |
| C5 | C6 | C9 | H92 | 46.4° | 24.4° |
| C10 | C9 | H91 | H92 | 116.6° | 120.0° |
| C9 | C10 | OA2 | CA1 | 122.6° | 120.0° |
| C9 | C10 | OA2 | C14 | 124.6° | 120.0° |
| C9 | C10 | CA1 | C14 | 120.9° | 120.0° |
| C9 | C10 | OA2 | HA2 | 180.0° | 180.0° |
| C9 | C10 | CA1 | N18 | 69.5° | 60.0° |
| C9 | C10 | CA1 | HA11 | 165.3° | 59.9° |
| C9 | C10 | CA1 | HA12 | 55.8° | 180.0° |
| C9 | C10 | C14 | C13 | 108.5° | 134.4° |
| C9 | C10 | C14 | C15 | 71.4° | 45.8° |
| H91 | C9 | C10 | OA2 | 166.0° | 54.4° |
| H91 | C9 | C10 | CA1 | 45.6° | 65.6° |
| H91 | C9 | C10 | C14 | 70.6° | 174.4° |
| H92 | C9 | C10 | OA2 | 56.6° | 174.4° |
| H92 | C9 | C10 | CA1 | 63.8° | 54.4° |
| H92 | C9 | C10 | C14 | 180.0° | 65.6° |
| OA2 | C10 | CA1 | C14 | 116.6° | 120.0° |
| OA2 | C10 | CA1 | N18 | 53.1° | 60.0° |
| OA2 | C10 | CA1 | HA11 | 72.2° | 179.9° |
| OA2 | C10 | CA1 | HA12 | 178.3° | 60.0° |
| OA2 | C10 | C14 | C13 | 15.8° | 14.5° |
| OA2 | C10 | C14 | C15 | 164.3° | 165.7° |
| CA1 | C10 | OA2 | HA2 | 57.4° | 60.0° |
| C10 | CA1 | N18 | HA11 | 125.3° | 120.0° |
| C10 | CA1 | N18 | HA12 | 125.2° | 120.1° |
| C10 | CA1 | HA11 | HA12 | 121.3° | 120.1° |
| CA1 | C10 | C14 | C13 | 130.9° | 105.5° |
| CA1 | C10 | C14 | C15 | 49.2° | 74.2° |
| C10 | CA1 | N18 | C19 | 110.7° | 180.0° |
| C10 | CA1 | N18 | H18 | 14.6° | 66.2° |
| C14 | C10 | OA2 | HA2 | 55.4° | 60.0° |
| C14 | C10 | CA1 | N18 | 169.7° | 180.0° |
| C14 | C10 | CA1 | HA11 | 44.4° | 60.1° |
| C14 | C10 | CA1 | HA12 | 65.1° | 60.0° |
| C10 | C14 | C13 | C12 | 179.8° | 180.0° |
| C10 | C14 | C13 | C15 | 179.9° | 179.8° |
| C10 | C14 | C13 | H13 | 0.2° | 0.0° |
| C10 | C14 | C15 | C16 | 179.9° | 179.8° |
| C10 | C14 | C15 | H15 | 0.1° | 0.2° |
| N18 | CA1 | HA11 | HA12 | 121.3° | 119.9° |
| CA1 | N18 | C19 | C20 | 72.9° | 180.0° |
| CA1 | N18 | C19 | H18 | 125.3° | 113.8° |
| CA1 | N18 | C19 | H191 | 161.9° | 60.0° |
| CA1 | N18 | C19 | H192 | 52.4° | 60.0° |
| HA11 | CA1 | N18 | C19 | 124.1° | 60.0° |
| HA11 | CA1 | N18 | H18 | 110.7° | 173.9° |
| HA12 | CA1 | N18 | C19 | 14.6° | 59.9° |
| HA12 | CA1 | N18 | H18 | 139.8° | 53.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C17 | 179.6° | 180.0° |
| C13 | C12 | C11 | C16 | 0.1° | 0.1° |
| C12 | C13 | C14 | C15 | 0.1° | 0.2° |
| C14 | C13 | C12 | C11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.5° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C12 | C11 | 179.9° | 180.0° |
| H13 | C13 | C12 | H12 | 0.0° | 0.0° |
| H13 | C13 | C14 | C15 | 179.9° | 179.8° |
| C12 | C11 | C17 | C16 | 179.7° | 180.0° |
| C12 | C11 | C17 | O17 | 36.1° | 0.0° |
| C12 | C11 | C17 | N | 143.6° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.3° |
| C12 | C11 | C16 | H16 | 179.8° | 180.0° |
| H12 | C12 | C11 | C17 | 0.4° | 0.0° |
| H12 | C12 | C11 | C16 | 179.9° | 180.0° |
| C11 | C17 | O17 | N | 179.7° | 180.0° |
| C17 | C11 | C16 | C15 | 179.5° | 179.7° |
| C17 | C11 | C16 | H16 | 0.5° | 0.0° |
| C11 | C17 | N | CA | 179.5° | 180.0° |
| C11 | C17 | N | H | 0.5° | 0.1° |
| C16 | C11 | C17 | O17 | 144.2° | 179.9° |
| C16 | C11 | C17 | N | 36.1° | 0.0° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.1° | 0.5° |
| C11 | C16 | C15 | H15 | 179.8° | 180.0° |
| O17 | C17 | N | CA | 0.1° | 0.0° |
| O17 | C17 | N | H | 179.9° | 179.9° |
| C17 | N | CA | H | 180.0° | 179.9° |
| C17 | N | CA | C | 102.1° | 90.0° |
| C17 | N | CA | CB | 135.4° | 150.0° |
| C17 | N | CA | HA | 16.3° | 30.0° |
| C16 | C15 | C14 | H15 | 180.0° | 179.5° |
| H16 | C16 | C15 | C14 | 179.9° | 179.8° |
| H16 | C16 | C15 | H15 | 0.1° | 0.3° |
| N | CA | C | CB | 121.2° | 120.0° |
| N | CA | C | HA | 119.7° | 119.9° |
| N | CA | CB | HA | 119.8° | 120.0° |
| N | CA | C | O | 179.4° | 30.0° |
| N | CA | C | OT | 0.4° | 150.0° |
| N | CA | CB | CG | 63.7° | 60.0° |
| N | CA | CB | HB1 | 171.0° | 60.0° |
| N | CA | CB | HB2 | 61.6° | 180.0° |
| H | N | CA | C | 77.9° | 90.0° |
| H | N | CA | CB | 44.6° | 30.1° |
| H | N | CA | HA | 163.7° | 150.1° |
| C | CA | CB | HA | 118.4° | 119.9° |
| CA | C | O | OT | 179.8° | 180.0° |
| CA | C | O | HO | 180.0° | 179.9° |
| C | CA | CB | CG | 174.5° | 180.0° |
| C | CA | CB | HB1 | 49.2° | 60.0° |
| C | CA | CB | HB2 | 60.3° | 59.9° |
| CB | CA | C | O | 59.4° | 90.0° |
| CB | CA | C | OT | 120.9° | 90.0° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 114.4° | 120.0° |
| CA | CB | CG | CD | 179.7° | 180.0° |
| CA | CB | CG | HG1 | 55.0° | 60.0° |
| CA | CB | CG | HG2 | 54.5° | 59.9° |
| HA | CA | C | O | 59.7° | 150.0° |
| HA | CA | C | OT | 120.1° | 30.0° |
| HA | CA | CB | CG | 56.1° | 60.0° |
| HA | CA | CB | HB1 | 69.2° | 179.9° |
| HA | CA | CB | HB2 | 178.6° | 60.0° |
| OT | C | O | HO | 0.3° | 0.1° |
| CG | CB | HB1 | HB2 | 114.4° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 120.0° |
| CB | CG | CD | HG2 | 125.2° | 120.1° |
| CB | CG | HG1 | HG2 | 114.6° | 120.0° |
| CB | CG | CD | OE2 | 24.5° | 0.0° |
| CB | CG | CD | OE1 | 155.6° | 180.0° |
| HB1 | CB | CG | CD | 54.4° | 60.0° |
| HB1 | CB | CG | HG1 | 179.7° | 179.9° |
| HB1 | CB | CG | HG2 | 70.8° | 60.1° |
| HB2 | CB | CG | CD | 55.0° | 59.9° |
| HB2 | CB | CG | HG1 | 70.2° | 60.0° |
| HB2 | CB | CG | HG2 | 179.7° | 180.0° |
| CD | CG | HG1 | HG2 | 114.6° | 120.0° |
| CG | CD | OE2 | OE1 | 180.0° | 180.0° |
| CG | CD | OE1 | HE1 | 180.0° | 180.0° |
| HG1 | CG | CD | OE2 | 100.8° | 120.0° |
| HG1 | CG | CD | OE1 | 79.2° | 60.0° |
| HG2 | CG | CD | OE2 | 149.7° | 120.1° |
| HG2 | CG | CD | OE1 | 30.3° | 59.9° |
| OE2 | CD | OE1 | HE1 | 0.0° | 0.0° |
| O24 | C24 | C23 | C25 | 122.6° | 118.7° |
| O24 | C24 | C23 | H24 | 115.0° | 122.7° |
| O24 | C24 | C25 | H24 | 115.1° | 122.6° |
| O24 | C24 | C23 | O23 | 25.1° | 0.1° |
| O24 | C24 | C23 | C22 | 98.4° | 118.8° |
| O24 | C24 | C23 | H23 | 139.5° | 122.7° |
| O24 | C24 | C25 | O26 | 122.7° | 142.7° |
| O24 | C24 | C25 | C27 | 120.5° | 98.3° |
| O24 | C24 | C25 | H25 | 0.3° | 24.0° |
| C23 | C24 | C25 | H24 | 120.9° | 118.7° |
| C23 | C24 | O24 | HO5 | 180.0° | 65.3° |
| C24 | C23 | O23 | C22 | 119.0° | 114.7° |
| C24 | C23 | O23 | H23 | 119.3° | 122.6° |
| C24 | C23 | C22 | H23 | 119.9° | 118.6° |
| C24 | C23 | O23 | HO3 | 180.0° | 180.0° |
| C24 | C23 | C22 | O26 | 38.7° | 23.8° |
| C24 | C23 | C22 | N21 | 153.0° | 142.7° |
| C24 | C23 | C22 | H22 | 87.7° | 95.0° |
| C23 | C24 | C25 | O26 | 1.2° | 24.0° |
| C23 | C24 | C25 | C27 | 115.6° | 143.0° |
| C23 | C24 | C25 | H25 | 124.3° | 94.7° |
| C25 | C24 | O24 | HO5 | 62.8° | 180.0° |
| C25 | C24 | C23 | O23 | 147.7° | 118.8° |
| C25 | C24 | C23 | C22 | 24.2° | 0.1° |
| C25 | C24 | C23 | H23 | 97.8° | 118.6° |
| C24 | C25 | O26 | C22 | 24.6° | 40.5° |
| C24 | C25 | O26 | C27 | 118.9° | 118.9° |
| C24 | C25 | O26 | H25 | 121.1° | 118.8° |
| C24 | C25 | C27 | H25 | 121.4° | 122.3° |
| C24 | C25 | C27 | O28 | 64.7° | 176.8° |
| C24 | C25 | C27 | H271 | 170.0° | 63.1° |
| C24 | C25 | C27 | H272 | 60.5° | 57.0° |
| H24 | C24 | O24 | HO5 | 59.4° | 57.4° |
| H24 | C24 | C23 | O23 | 90.0° | 122.6° |
| H24 | C24 | C23 | C22 | 146.6° | 118.5° |
| H24 | C24 | C23 | H23 | 24.5° | 0.0° |
| H24 | C24 | C25 | O26 | 122.2° | 94.7° |
| H24 | C24 | C25 | C27 | 5.4° | 24.2° |
| H24 | C24 | C25 | H25 | 114.8° | 146.5° |
| O23 | C23 | C22 | H23 | 114.6° | 122.7° |
| O23 | C23 | C22 | O26 | 164.1° | 142.6° |
| O23 | C23 | C22 | N21 | 81.6° | 98.5° |
| O23 | C23 | C22 | H22 | 37.7° | 23.7° |
| C22 | C23 | O23 | HO3 | 61.0° | 65.3° |
| C23 | C22 | O26 | N21 | 120.7° | 118.9° |
| C23 | C22 | O26 | H22 | 120.7° | 118.9° |
| C23 | C22 | N21 | H22 | 121.9° | 122.3° |
| C23 | C22 | O26 | C25 | 39.8° | 40.5° |
| C23 | C22 | N21 | C20 | 131.8° | 151.6° |
| C23 | C22 | N21 | H21 | 48.1° | 28.4° |
| H23 | C23 | O23 | HO3 | 60.6° | 57.4° |
| H23 | C23 | C22 | O26 | 81.2° | 94.7° |
| H23 | C23 | C22 | N21 | 33.1° | 24.2° |
| H23 | C23 | C22 | H22 | 152.4° | 146.4° |
| O26 | C22 | N21 | H22 | 126.8° | 122.2° |
| C22 | O26 | C25 | C27 | 143.5° | 159.4° |
| C22 | O26 | C25 | H25 | 96.5° | 78.3° |
| O26 | C22 | N21 | C20 | 116.8° | 92.9° |
| O26 | C22 | N21 | H21 | 63.2° | 87.1° |
| N21 | C22 | O26 | C25 | 160.5° | 159.3° |
| C22 | N21 | C20 | H21 | 180.0° | 180.0° |
| C22 | N21 | C20 | O20 | 31.7° | 0.0° |
| C22 | N21 | C20 | C19 | 148.2° | 180.0° |
| H22 | C22 | O26 | C25 | 81.0° | 78.4° |
| H22 | C22 | N21 | C20 | 10.0° | 29.3° |
| H22 | C22 | N21 | H21 | 170.0° | 150.7° |
| O26 | C25 | C27 | H25 | 123.1° | 122.3° |
| O26 | C25 | C27 | O28 | 179.8° | 61.4° |
| O26 | C25 | C27 | H271 | 54.5° | 178.5° |
| O26 | C25 | C27 | H272 | 55.0° | 58.5° |
| C25 | C27 | O28 | H271 | 125.3° | 120.1° |
| C25 | C27 | O28 | H272 | 125.3° | 120.0° |
| C25 | C27 | H271 | H272 | 117.3° | 120.1° |
| C25 | C27 | O28 | P29 | 178.8° | 180.0° |
| H25 | C25 | C27 | O28 | 56.7° | 60.9° |
| H25 | C25 | C27 | H271 | 68.6° | 59.2° |
| H25 | C25 | C27 | H272 | 178.1° | 179.2° |
| O28 | C27 | H271 | H272 | 117.3° | 119.9° |
| C27 | O28 | P29 | O30 | 87.8° | 180.0° |
| C27 | O28 | P29 | O31 | 154.2° | 59.9° |
| C27 | O28 | P29 | O32 | 31.8° | 60.1° |
| H271 | C27 | O28 | P29 | 55.9° | 59.8° |
| H272 | C27 | O28 | P29 | 53.6° | 60.1° |
| O28 | P29 | O30 | O31 | 116.1° | 120.0° |
| O28 | P29 | O30 | O32 | 119.7° | 119.9° |
| O28 | P29 | O31 | O32 | 124.2° | 120.0° |
| O28 | P29 | O30 | HO0 | 180.0° | 180.0° |
| O28 | P29 | O31 | HO1 | 180.0° | 60.1° |
| N21 | C20 | O20 | C19 | 179.9° | 180.0° |
| N21 | C20 | C19 | N18 | 179.8° | 180.0° |
| N21 | C20 | C19 | H191 | 55.0° | 60.0° |
| N21 | C20 | C19 | H192 | 54.6° | 60.0° |
| H21 | N21 | C20 | O20 | 148.3° | 180.0° |
| H21 | N21 | C20 | C19 | 31.7° | 0.0° |
| O20 | C20 | C19 | N18 | 0.3° | 0.0° |
| O20 | C20 | C19 | H191 | 125.0° | 120.0° |
| O20 | C20 | C19 | H192 | 125.5° | 120.0° |
| C20 | C19 | N18 | H191 | 125.2° | 120.0° |
| C20 | C19 | N18 | H192 | 125.3° | 120.0° |
| C20 | C19 | H191 | H192 | 112.6° | 119.9° |
| C20 | C19 | N18 | H18 | 161.9° | 66.2° |
| N18 | C19 | H191 | H192 | 112.6° | 120.1° |
| H191 | C19 | N18 | H18 | 36.6° | 173.8° |
| H192 | C19 | N18 | H18 | 72.9° | 53.8° |
| O30 | P29 | O31 | O32 | 125.9° | 120.0° |
| O30 | P29 | O31 | HO1 | 70.1° | 60.0° |
| O31 | P29 | O30 | HO0 | 63.9° | 60.0° |
| O32 | P29 | O30 | HO0 | 60.3° | 60.0° |
| O32 | P29 | O31 | HO1 | 55.8° | 180.0° |
