0E9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | O2 | sing | 1.35Å | 1.44Å | |
| O2 | C2 | sing | 1.45Å | 1.40Å | |
| C2 | C3 | sing | 1.51Å | 1.57Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CB | CG1 | sing | 1.53Å | 1.52Å | |
| CB | CG2 | sing | 1.53Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| C11 | C21 | sing | 1.53Å | 1.51Å | |
| C11 | C1A | sing | 1.51Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | N2 | sing | 1.47Å | 1.48Å | |
| C21 | C31 | sing | 1.53Å | 1.51Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| C31 | O3 | sing | 1.43Å | 1.38Å | |
| C31 | C41 | sing | 1.53Å | 1.56Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C41 | N4 | sing | 1.46Å | 1.48Å | |
| C41 | C51 | sing | 1.53Å | 1.55Å | |
| C41 | H4 | sing | 1.09Å | 1.10Å | |
| N4 | HN42 | sing | 0.97Å | 1.00Å | |
| C51 | C1B | sing | 1.51Å | 1.53Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H52 | sing | 1.09Å | 1.10Å | |
| C1A | C2A | doub | 1.38Å | 1.39Å | Aromatic |
| C1A | C6A | sing | 1.38Å | 1.39Å | Aromatic |
| C2A | C3A | sing | 1.38Å | 1.37Å | Aromatic |
| C2A | H2A | sing | 1.08Å | 1.08Å | |
| C3A | C4A | doub | 1.38Å | 1.39Å | Aromatic |
| C3A | H3A | sing | 1.08Å | 1.08Å | |
| C4A | C5A | sing | 1.38Å | 1.38Å | Aromatic |
| C4A | H4A | sing | 1.08Å | 1.08Å | |
| C5A | C6A | doub | 1.38Å | 1.37Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C6A | H6A | sing | 1.08Å | 1.08Å | |
| C1B | C2B | doub | 1.38Å | 1.38Å | Aromatic |
| C1B | C6B | sing | 1.38Å | 1.40Å | Aromatic |
| C2B | C3B | sing | 1.38Å | 1.38Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| C3B | C4B | doub | 1.38Å | 1.39Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C4B | C5B | sing | 1.38Å | 1.39Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C6B | doub | 1.38Å | 1.38Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.08Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| N1 | CA1 | sing | 1.46Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| CA1 | C9 | sing | 1.51Å | 1.53Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.25Å | |
| CB1 | CG11 | sing | 1.53Å | 1.51Å | |
| CB1 | CG21 | sing | 1.53Å | 1.53Å | |
| CB1 | HB1 | sing | 1.09Å | 1.10Å | |
| CG11 | HG14 | sing | 1.09Å | 1.10Å | |
| CG11 | HG15 | sing | 1.09Å | 1.10Å | |
| CG11 | HG16 | sing | 1.09Å | 1.10Å | |
| CG21 | HG24 | sing | 1.09Å | 1.10Å | |
| CG21 | HG25 | sing | 1.09Å | 1.10Å | |
| CG21 | HG26 | sing | 1.09Å | 1.10Å | |
| C12 | O11 | doub | 1.21Å | 1.25Å | |
| C12 | O21 | sing | 1.35Å | 1.39Å | |
| O21 | C22 | sing | 1.45Å | 1.36Å | |
| C22 | C32 | sing | 1.51Å | 1.52Å | |
| C22 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C32 | C42 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C81 | sing | 1.38Å | 1.39Å | Aromatic |
| C42 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C42 | H411 | sing | 1.08Å | 1.08Å | |
| C52 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | H512 | sing | 1.08Å | 1.08Å | |
| C61 | C71 | sing | 1.38Å | 1.37Å | Aromatic |
| C61 | H611 | sing | 1.08Å | 1.08Å | |
| C71 | C81 | doub | 1.38Å | 1.38Å | Aromatic |
| C71 | H711 | sing | 1.08Å | 1.08Å | |
| C81 | H811 | sing | 1.08Å | 1.08Å | |
| C1 | N | sing | 1.35Å | 1.34Å | |
| C | N2 | sing | 1.35Å | 1.34Å | |
| N4 | C9 | sing | 1.35Å | 1.35Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 121.0° | 120.0° |
| O1 | C1 | N | 124.0° | 120.1° |
| C1 | O2 | C2 | 127.4° | 117.0° |
| O2 | C1 | N | 114.9° | 120.0° |
| O2 | C2 | C3 | 124.5° | 109.4° |
| O2 | C2 | H21 | 104.8° | 109.5° |
| O2 | C2 | H22 | 101.3° | 109.5° |
| C3 | C2 | H21 | 104.8° | 109.4° |
| C3 | C2 | H22 | 101.2° | 109.5° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C2 | C3 | C8 | 120.8° | 120.0° |
| H21 | C2 | H22 | 122.1° | 109.5° |
| C4 | C3 | C8 | 117.7° | 120.0° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C3 | C4 | H41 | 119.2° | 120.0° |
| C3 | C8 | C7 | 119.3° | 120.0° |
| C3 | C8 | H81 | 120.4° | 120.0° |
| C5 | C4 | H41 | 119.2° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H51 | 120.3° | 120.0° |
| C6 | C5 | H51 | 120.2° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H61 | 120.1° | 120.0° |
| C7 | C6 | H61 | 120.1° | 120.0° |
| C6 | C7 | C8 | 122.1° | 120.1° |
| C6 | C7 | H71 | 118.9° | 120.0° |
| C8 | C7 | H71 | 118.9° | 120.0° |
| C7 | C8 | H81 | 120.3° | 120.1° |
| CA | N | H | 117.2° | 120.0° |
| N | CA | C | 106.4° | 109.5° |
| N | CA | CB | 113.0° | 109.5° |
| N | CA | HA | 108.8° | 109.4° |
| CA | N | C1 | 125.6° | 120.0° |
| H | N | C1 | 117.2° | 120.1° |
| C | CA | CB | 108.1° | 109.5° |
| C | CA | HA | 113.6° | 109.5° |
| CA | C | O | 121.9° | 120.0° |
| CA | C | N2 | 112.8° | 120.0° |
| CB | CA | HA | 107.2° | 109.5° |
| CA | CB | CG1 | 110.0° | 109.5° |
| CA | CB | CG2 | 113.5° | 109.5° |
| CA | CB | HB | 105.7° | 109.5° |
| O | C | N2 | 125.3° | 120.0° |
| CG1 | CB | CG2 | 107.9° | 109.5° |
| CG1 | CB | HB | 111.7° | 109.5° |
| CB | CG1 | HG11 | 109.5° | 109.5° |
| CB | CG1 | HG12 | 109.5° | 109.5° |
| CB | CG1 | HG13 | 109.5° | 109.5° |
| CG2 | CB | HB | 108.0° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.4° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.4° |
| HG21 | CG2 | HG22 | 109.5° | 109.4° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.5° |
| C21 | C11 | C1A | 106.6° | 109.4° |
| C21 | C11 | H11 | 110.5° | 109.5° |
| C21 | C11 | H12 | 111.0° | 109.5° |
| C11 | C21 | N2 | 109.1° | 109.5° |
| C11 | C21 | C31 | 113.6° | 109.4° |
| C11 | C21 | H2 | 111.5° | 109.5° |
| C1A | C11 | H11 | 110.5° | 109.5° |
| C1A | C11 | H12 | 111.1° | 109.4° |
| C11 | C1A | C2A | 119.1° | 120.0° |
| C11 | C1A | C6A | 119.8° | 120.0° |
| H11 | C11 | H12 | 107.2° | 109.5° |
| N2 | C21 | C31 | 119.7° | 109.5° |
| N2 | C21 | H2 | 103.7° | 109.5° |
| C21 | N2 | HN22 | 118.7° | 120.0° |
| C21 | N2 | C | 122.6° | 120.0° |
| C31 | C21 | H2 | 98.1° | 109.5° |
| C21 | C31 | O3 | 102.6° | 109.4° |
| C21 | C31 | C41 | 113.7° | 109.5° |
| C21 | C31 | H3 | 110.8° | 109.5° |
| HN22 | N2 | C | 118.7° | 120.1° |
| O3 | C31 | C41 | 108.1° | 109.5° |
| O3 | C31 | H3 | 116.2° | 109.5° |
| C31 | O3 | HO3 | 109.5° | 114.0° |
| C41 | C31 | H3 | 105.7° | 109.5° |
| C31 | C41 | N4 | 106.0° | 109.5° |
| C31 | C41 | C51 | 116.5° | 109.5° |
| C31 | C41 | H4 | 107.5° | 109.5° |
| N4 | C41 | C51 | 110.4° | 109.5° |
| N4 | C41 | H4 | 113.9° | 109.5° |
| C41 | N4 | HN42 | 117.8° | 120.0° |
| C41 | N4 | C9 | 124.5° | 120.1° |
| C51 | C41 | H4 | 102.8° | 109.5° |
| C41 | C51 | C1B | 112.7° | 109.5° |
| C41 | C51 | H511 | 108.4° | 109.5° |
| C41 | C51 | H52 | 107.7° | 109.4° |
| HN42 | N4 | C9 | 117.7° | 119.9° |
| C1B | C51 | H511 | 108.4° | 109.5° |
| C1B | C51 | H52 | 107.7° | 109.5° |
| C51 | C1B | C2B | 119.9° | 120.0° |
| C51 | C1B | C6B | 119.2° | 120.0° |
| H511 | C51 | H52 | 112.0° | 109.5° |
| C2A | C1A | C6A | 120.6° | 120.0° |
| C1A | C2A | C3A | 119.2° | 120.0° |
| C1A | C2A | H2A | 120.4° | 120.0° |
| C1A | C6A | C5A | 119.3° | 120.0° |
| C1A | C6A | H6A | 120.4° | 120.0° |
| C3A | C2A | H2A | 120.4° | 120.0° |
| C2A | C3A | C4A | 120.3° | 120.0° |
| C2A | C3A | H3A | 119.8° | 120.0° |
| C4A | C3A | H3A | 119.8° | 120.0° |
| C3A | C4A | C5A | 120.1° | 120.0° |
| C3A | C4A | H4A | 119.9° | 120.0° |
| C5A | C4A | H4A | 119.9° | 120.0° |
| C4A | C5A | C6A | 120.4° | 120.0° |
| C4A | C5A | H5A | 119.8° | 119.9° |
| C6A | C5A | H5A | 119.8° | 120.1° |
| C5A | C6A | H6A | 120.3° | 120.0° |
| C2B | C1B | C6B | 119.9° | 120.0° |
| C1B | C2B | C3B | 120.0° | 120.0° |
| C1B | C2B | H2B | 120.0° | 120.0° |
| C1B | C6B | C5B | 120.6° | 120.0° |
| C1B | C6B | H6B | 119.7° | 120.0° |
| C3B | C2B | H2B | 120.0° | 120.0° |
| C2B | C3B | C4B | 119.4° | 120.0° |
| C2B | C3B | H3B | 120.3° | 120.0° |
| C4B | C3B | H3B | 120.3° | 120.0° |
| C3B | C4B | C5B | 121.5° | 120.0° |
| C3B | C4B | H4B | 119.3° | 120.0° |
| C5B | C4B | H4B | 119.2° | 120.0° |
| C4B | C5B | C6B | 118.6° | 120.0° |
| C4B | C5B | H5B | 120.7° | 119.9° |
| C6B | C5B | H5B | 120.7° | 120.0° |
| C5B | C6B | H6B | 119.7° | 120.0° |
| CA1 | N1 | H1 | 119.9° | 120.0° |
| N1 | CA1 | C9 | 105.0° | 109.4° |
| N1 | CA1 | CB1 | 117.1° | 109.5° |
| N1 | CA1 | HA1 | 107.3° | 109.5° |
| CA1 | N1 | C12 | 120.3° | 120.0° |
| H1 | N1 | C12 | 119.8° | 120.0° |
| C9 | CA1 | CB1 | 109.1° | 109.5° |
| C9 | CA1 | HA1 | 115.6° | 109.5° |
| CA1 | C9 | O4 | 121.4° | 120.0° |
| CA1 | C9 | N4 | 113.0° | 120.0° |
| CB1 | CA1 | HA1 | 103.1° | 109.5° |
| CA1 | CB1 | CG11 | 106.0° | 109.5° |
| CA1 | CB1 | CG21 | 112.9° | 109.5° |
| CA1 | CB1 | HB1 | 111.2° | 109.5° |
| O4 | C9 | N4 | 125.3° | 119.9° |
| CG11 | CB1 | CG21 | 113.8° | 109.5° |
| CG11 | CB1 | HB1 | 110.2° | 109.5° |
| CB1 | CG11 | HG14 | 109.5° | 109.5° |
| CB1 | CG11 | HG15 | 109.5° | 109.5° |
| CB1 | CG11 | HG16 | 109.4° | 109.5° |
| CG21 | CB1 | HB1 | 102.9° | 109.5° |
| CB1 | CG21 | HG24 | 109.5° | 109.4° |
| CB1 | CG21 | HG25 | 109.5° | 109.5° |
| CB1 | CG21 | HG26 | 109.4° | 109.5° |
| HG14 | CG11 | HG15 | 109.5° | 109.4° |
| HG14 | CG11 | HG16 | 109.5° | 109.5° |
| HG15 | CG11 | HG16 | 109.5° | 109.5° |
| HG24 | CG21 | HG25 | 109.5° | 109.4° |
| HG24 | CG21 | HG26 | 109.4° | 109.5° |
| HG25 | CG21 | HG26 | 109.5° | 109.5° |
| O11 | C12 | O21 | 118.5° | 120.0° |
| O11 | C12 | N1 | 125.6° | 120.0° |
| C12 | O21 | C22 | 128.1° | 117.0° |
| O21 | C12 | N1 | 115.7° | 120.0° |
| O21 | C22 | C32 | 110.5° | 109.5° |
| O21 | C22 | H211 | 109.1° | 109.5° |
| O21 | C22 | H221 | 108.9° | 109.4° |
| C32 | C22 | H211 | 109.1° | 109.5° |
| C32 | C22 | H221 | 108.9° | 109.5° |
| C22 | C32 | C42 | 119.8° | 120.0° |
| C22 | C32 | C81 | 118.6° | 120.0° |
| H211 | C22 | H221 | 110.3° | 109.5° |
| C42 | C32 | C81 | 121.4° | 120.0° |
| C32 | C42 | C52 | 118.0° | 120.0° |
| C32 | C42 | H411 | 121.0° | 120.0° |
| C32 | C81 | C71 | 119.6° | 120.0° |
| C32 | C81 | H811 | 120.2° | 120.0° |
| C52 | C42 | H411 | 121.0° | 120.0° |
| C42 | C52 | C61 | 121.2° | 120.0° |
| C42 | C52 | H512 | 119.4° | 120.1° |
| C61 | C52 | H512 | 119.4° | 120.0° |
| C52 | C61 | C71 | 119.9° | 120.0° |
| C52 | C61 | H611 | 120.0° | 120.0° |
| C71 | C61 | H611 | 120.1° | 120.0° |
| C61 | C71 | C81 | 119.9° | 120.0° |
| C61 | C71 | H711 | 120.1° | 120.0° |
| C81 | C71 | H711 | 120.1° | 120.0° |
| C71 | C81 | H811 | 120.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N | 176.0° | 179.7° |
| O1 | C1 | O2 | C2 | 26.7° | 0.0° |
| O1 | C1 | N | CA | 1.2° | 0.0° |
| O1 | C1 | N | H | 178.8° | 179.9° |
| C1 | O2 | C2 | C3 | 120.8° | 180.0° |
| C1 | O2 | C2 | H21 | 0.8° | 60.1° |
| C1 | O2 | C2 | H22 | 127.0° | 60.0° |
| O2 | C1 | N | CA | 177.0° | 179.7° |
| O2 | C1 | N | H | 3.0° | 0.3° |
| O2 | C2 | C3 | H21 | 120.0° | 119.9° |
| O2 | C2 | C3 | H22 | 112.2° | 120.0° |
| O2 | C2 | H21 | H22 | 113.8° | 120.1° |
| O2 | C2 | C3 | C4 | 55.3° | 90.0° |
| O2 | C2 | C3 | C8 | 128.3° | 90.3° |
| C2 | O2 | C1 | N | 149.3° | 179.7° |
| C3 | C2 | H21 | H22 | 113.8° | 120.0° |
| C2 | C3 | C4 | C8 | 176.5° | 179.7° |
| C2 | C3 | C4 | C5 | 175.7° | 180.0° |
| C2 | C3 | C4 | H41 | 4.3° | 0.0° |
| C2 | C3 | C8 | C7 | 176.0° | 179.8° |
| C2 | C3 | C8 | H81 | 4.0° | 0.0° |
| H21 | C2 | C3 | C4 | 175.3° | 30.0° |
| H21 | C2 | C3 | C8 | 8.2° | 149.8° |
| H22 | C2 | C3 | C4 | 56.9° | 150.0° |
| H22 | C2 | C3 | C8 | 119.6° | 29.7° |
| C3 | C4 | C5 | H41 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.7° | 0.1° |
| C3 | C4 | C5 | H51 | 179.3° | 179.9° |
| C4 | C3 | C8 | C7 | 0.6° | 0.4° |
| C4 | C3 | C8 | H81 | 179.5° | 179.7° |
| C8 | C3 | C4 | C5 | 0.9° | 0.2° |
| C8 | C3 | C4 | H41 | 179.1° | 179.7° |
| C3 | C8 | C7 | C6 | 0.1° | 0.4° |
| C3 | C8 | C7 | H81 | 180.0° | 179.8° |
| C3 | C8 | C7 | H71 | 179.9° | 179.7° |
| C4 | C5 | C6 | H51 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H61 | 179.8° | 179.9° |
| H41 | C4 | C5 | C6 | 179.3° | 180.0° |
| H41 | C4 | C5 | H51 | 0.7° | 0.2° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H71 | 179.9° | 180.0° |
| H51 | C5 | C6 | C7 | 179.8° | 180.0° |
| H51 | C5 | C6 | H61 | 0.2° | 0.0° |
| C6 | C7 | C8 | H71 | 180.0° | 179.9° |
| C6 | C7 | C8 | H81 | 179.9° | 179.8° |
| H61 | C6 | C7 | C8 | 179.9° | 179.9° |
| H61 | C6 | C7 | H71 | 0.1° | 0.1° |
| H71 | C7 | C8 | H81 | 0.1° | 0.1° |
| CA | N | H | C1 | 180.0° | 180.0° |
| N | CA | C | CB | 121.6° | 120.0° |
| N | CA | C | HA | 119.7° | 120.0° |
| N | CA | CB | HA | 119.8° | 119.9° |
| N | CA | C | O | 70.9° | 21.0° |
| N | CA | CB | CG1 | 174.0° | 177.2° |
| N | CA | CB | CG2 | 53.0° | 57.3° |
| N | CA | CB | HB | 65.2° | 62.7° |
| N | CA | C | N2 | 108.8° | 159.1° |
| H | N | CA | C | 56.0° | 25.0° |
| H | N | CA | CB | 62.4° | 95.0° |
| H | N | CA | HA | 178.8° | 145.0° |
| C | CA | CB | HA | 122.8° | 120.1° |
| CA | C | O | N2 | 179.7° | 179.9° |
| C | CA | CB | CG1 | 68.6° | 62.8° |
| C | CA | CB | CG2 | 170.4° | 177.2° |
| C | CA | CB | HB | 52.2° | 57.3° |
| CA | C | N2 | C21 | 178.3° | 175.0° |
| CA | C | N2 | HN22 | 1.7° | 4.9° |
| C | CA | N | C1 | 123.9° | 155.0° |
| CB | CA | C | O | 50.6° | 99.0° |
| CA | CB | CG1 | CG2 | 124.3° | 120.0° |
| CA | CB | CG1 | HB | 117.1° | 120.0° |
| CA | CB | CG2 | HB | 116.9° | 120.0° |
| CA | CB | CG1 | HG11 | 111.4° | 60.3° |
| CA | CB | CG1 | HG12 | 128.7° | 179.7° |
| CA | CB | CG1 | HG13 | 8.7° | 59.7° |
| CA | CB | CG2 | HG21 | 86.7° | 60.0° |
| CA | CB | CG2 | HG22 | 153.2° | 179.9° |
| CA | CB | CG2 | HG23 | 33.2° | 60.0° |
| CB | CA | N | C1 | 117.6° | 85.0° |
| CB | CA | C | N2 | 129.6° | 81.0° |
| HA | CA | C | O | 169.4° | 141.0° |
| HA | CA | CB | CG1 | 54.2° | 57.3° |
| HA | CA | CB | CG2 | 66.7° | 62.7° |
| HA | CA | CB | HB | 175.0° | 177.3° |
| HA | CA | N | C1 | 1.2° | 35.0° |
| HA | CA | C | N2 | 10.9° | 39.1° |
| O | C | N2 | C21 | 2.0° | 5.0° |
| O | C | N2 | HN22 | 178.0° | 175.0° |
| CG1 | CB | CG2 | HB | 120.9° | 120.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG21 | 151.1° | 180.0° |
| CG1 | CB | CG2 | HG22 | 31.1° | 60.1° |
| CG1 | CB | CG2 | HG23 | 89.0° | 60.0° |
| CG2 | CB | CG1 | HG11 | 12.9° | 59.7° |
| CG2 | CB | CG1 | HG12 | 107.0° | 60.3° |
| CG2 | CB | CG1 | HG13 | 133.0° | 179.7° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.1° |
| HB | CB | CG1 | HG11 | 131.5° | 179.7° |
| HB | CB | CG1 | HG12 | 11.5° | 59.7° |
| HB | CB | CG1 | HG13 | 108.5° | 60.3° |
| HB | CB | CG2 | HG21 | 30.2° | 60.0° |
| HB | CB | CG2 | HG22 | 89.8° | 60.0° |
| HB | CB | CG2 | HG23 | 150.1° | 180.0° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 119.9° | 120.0° |
| C21 | C11 | C1A | H11 | 120.0° | 120.0° |
| C21 | C11 | C1A | H12 | 121.1° | 119.9° |
| C21 | C11 | H11 | H12 | 121.1° | 120.0° |
| C11 | C21 | N2 | C31 | 133.3° | 119.9° |
| C11 | C21 | N2 | H2 | 118.9° | 120.0° |
| C11 | C21 | C31 | H2 | 117.8° | 120.0° |
| C11 | C21 | N2 | HN22 | 62.2° | 33.2° |
| C11 | C21 | C31 | O3 | 97.0° | 177.5° |
| C11 | C21 | C31 | C41 | 146.5° | 62.5° |
| C11 | C21 | C31 | H3 | 27.7° | 57.5° |
| C21 | C11 | C1A | C2A | 72.7° | 90.0° |
| C21 | C11 | C1A | C6A | 99.8° | 90.2° |
| C11 | C21 | N2 | C | 117.7° | 146.8° |
| C1A | C11 | H11 | H12 | 121.2° | 120.0° |
| C1A | C11 | C21 | N2 | 60.4° | 65.1° |
| C1A | C11 | C21 | C31 | 163.3° | 175.0° |
| C1A | C11 | C21 | H2 | 53.6° | 55.0° |
| C11 | C1A | C2A | C6A | 172.5° | 179.7° |
| C11 | C1A | C2A | C3A | 171.3° | 180.0° |
| C11 | C1A | C2A | H2A | 8.7° | 0.0° |
| C11 | C1A | C6A | C5A | 171.7° | 179.8° |
| C11 | C1A | C6A | H6A | 8.3° | 0.0° |
| H11 | C11 | C21 | N2 | 59.6° | 54.9° |
| H11 | C11 | C21 | C31 | 76.7° | 65.0° |
| H11 | C11 | C21 | H2 | 173.6° | 174.9° |
| H11 | C11 | C1A | C2A | 167.2° | 30.0° |
| H11 | C11 | C1A | C6A | 20.2° | 149.8° |
| H12 | C11 | C21 | N2 | 178.5° | 175.0° |
| H12 | C11 | C21 | C31 | 42.1° | 55.1° |
| H12 | C11 | C21 | H2 | 67.6° | 65.0° |
| H12 | C11 | C1A | C2A | 48.4° | 150.0° |
| H12 | C11 | C1A | C6A | 139.1° | 29.7° |
| N2 | C21 | C31 | H2 | 110.9° | 120.0° |
| C21 | N2 | HN22 | C | 180.0° | 179.9° |
| N2 | C21 | C31 | O3 | 34.3° | 57.6° |
| N2 | C21 | C31 | C41 | 82.1° | 177.6° |
| N2 | C21 | C31 | H3 | 159.0° | 62.4° |
| C31 | C21 | N2 | HN22 | 71.0° | 86.8° |
| C21 | C31 | O3 | C41 | 120.4° | 120.0° |
| C21 | C31 | O3 | H3 | 121.1° | 120.0° |
| C21 | C31 | C41 | H3 | 121.8° | 120.0° |
| C21 | C31 | O3 | HO3 | 27.9° | 60.0° |
| C21 | C31 | C41 | N4 | 115.3° | 175.6° |
| C21 | C31 | C41 | C51 | 121.5° | 64.4° |
| C21 | C31 | C41 | H4 | 6.9° | 55.6° |
| C31 | C21 | N2 | C | 109.0° | 93.3° |
| H2 | C21 | N2 | HN22 | 178.8° | 153.2° |
| H2 | C21 | C31 | O3 | 145.2° | 62.5° |
| H2 | C21 | C31 | C41 | 28.8° | 57.5° |
| H2 | C21 | C31 | H3 | 90.1° | 177.5° |
| H2 | C21 | N2 | C | 1.2° | 26.8° |
| O3 | C31 | C41 | H3 | 125.0° | 120.0° |
| O3 | C31 | C41 | N4 | 131.5° | 64.4° |
| O3 | C31 | C41 | C51 | 8.3° | 55.6° |
| O3 | C31 | C41 | H4 | 106.3° | 175.6° |
| C41 | C31 | O3 | HO3 | 92.5° | 60.0° |
| C31 | C41 | N4 | C51 | 127.0° | 120.0° |
| C31 | C41 | N4 | H4 | 118.0° | 120.0° |
| C31 | C41 | C51 | H4 | 117.2° | 120.0° |
| C31 | C41 | N4 | HN42 | 76.4° | 25.0° |
| C31 | C41 | C51 | C1B | 157.5° | 175.8° |
| C31 | C41 | C51 | H511 | 37.5° | 64.1° |
| C31 | C41 | C51 | H52 | 83.9° | 55.9° |
| C31 | C41 | N4 | C9 | 103.6° | 155.0° |
| H3 | C31 | O3 | HO3 | 149.0° | 180.0° |
| H3 | C31 | C41 | N4 | 6.5° | 55.6° |
| H3 | C31 | C41 | C51 | 116.7° | 175.6° |
| H3 | C31 | C41 | H4 | 128.7° | 64.4° |
| N4 | C41 | C51 | H4 | 121.9° | 120.0° |
| C41 | N4 | HN42 | C9 | 180.0° | 180.0° |
| N4 | C41 | C51 | C1B | 36.6° | 64.2° |
| N4 | C41 | C51 | H511 | 83.4° | 55.9° |
| N4 | C41 | C51 | H52 | 155.3° | 175.9° |
| C41 | N4 | C9 | CA1 | 171.3° | 175.7° |
| C41 | N4 | C9 | O4 | 15.8° | 4.3° |
| C51 | C41 | N4 | HN42 | 50.6° | 95.0° |
| C41 | C51 | C1B | H511 | 120.0° | 120.0° |
| C41 | C51 | C1B | H52 | 118.6° | 120.0° |
| C41 | C51 | H511 | H52 | 118.7° | 120.0° |
| C41 | C51 | C1B | C2B | 92.2° | 90.0° |
| C41 | C51 | C1B | C6B | 76.5° | 90.2° |
| C51 | C41 | N4 | C9 | 129.4° | 85.0° |
| H4 | C41 | N4 | HN42 | 165.7° | 145.0° |
| H4 | C41 | C51 | C1B | 85.3° | 55.8° |
| H4 | C41 | C51 | H511 | 154.8° | 175.9° |
| H4 | C41 | C51 | H52 | 33.4° | 64.2° |
| H4 | C41 | N4 | C9 | 14.3° | 35.0° |
| HN42 | N4 | C9 | CA1 | 8.6° | 4.3° |
| HN42 | N4 | C9 | O4 | 164.2° | 175.7° |
| C1B | C51 | H511 | H52 | 118.7° | 120.0° |
| C51 | C1B | C2B | C6B | 168.6° | 179.8° |
| C51 | C1B | C2B | C3B | 167.2° | 180.0° |
| C51 | C1B | C2B | H2B | 12.9° | 0.0° |
| C51 | C1B | C6B | C5B | 167.1° | 179.8° |
| C51 | C1B | C6B | H6B | 12.9° | 0.1° |
| H511 | C51 | C1B | C2B | 27.8° | 30.0° |
| H511 | C51 | C1B | C6B | 163.5° | 149.8° |
| H52 | C51 | C1B | C2B | 149.2° | 150.0° |
| H52 | C51 | C1B | C6B | 42.1° | 29.8° |
| C1A | C2A | C3A | H2A | 180.0° | 180.0° |
| C1A | C2A | C3A | C4A | 0.7° | 0.0° |
| C1A | C2A | C3A | H3A | 179.3° | 180.0° |
| C2A | C1A | C6A | C5A | 0.7° | 0.5° |
| C2A | C1A | C6A | H6A | 179.3° | 179.7° |
| C6A | C1A | C2A | C3A | 1.2° | 0.3° |
| C6A | C1A | C2A | H2A | 178.8° | 179.7° |
| C1A | C6A | C5A | C4A | 0.3° | 0.4° |
| C1A | C6A | C5A | H6A | 180.0° | 179.8° |
| C1A | C6A | C5A | H5A | 179.7° | 179.8° |
| C2A | C3A | C4A | H3A | 180.0° | 180.0° |
| C2A | C3A | C4A | C5A | 0.3° | 0.0° |
| C2A | C3A | C4A | H4A | 179.7° | 180.0° |
| H2A | C2A | C3A | C4A | 179.3° | 180.0° |
| H2A | C2A | C3A | H3A | 0.7° | 0.0° |
| C3A | C4A | C5A | H4A | 180.0° | 180.0° |
| C3A | C4A | C5A | C6A | 0.8° | 0.2° |
| C3A | C4A | C5A | H5A | 179.2° | 180.0° |
| H3A | C3A | C4A | C5A | 179.7° | 180.0° |
| H3A | C3A | C4A | H4A | 0.3° | 0.0° |
| C4A | C5A | C6A | H5A | 180.0° | 179.8° |
| C4A | C5A | C6A | H6A | 179.7° | 179.8° |
| H4A | C4A | C5A | C6A | 179.2° | 179.8° |
| H4A | C4A | C5A | H5A | 0.8° | 0.0° |
| H5A | C5A | C6A | H6A | 0.3° | 0.0° |
| C1B | C2B | C3B | H2B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.5° | 0.0° |
| C1B | C2B | C3B | H3B | 179.5° | 180.0° |
| C2B | C1B | C6B | C5B | 1.5° | 0.4° |
| C2B | C1B | C6B | H6B | 178.5° | 179.7° |
| C6B | C1B | C2B | C3B | 1.4° | 0.2° |
| C6B | C1B | C2B | H2B | 178.5° | 179.8° |
| C1B | C6B | C5B | C4B | 0.6° | 0.4° |
| C1B | C6B | C5B | H6B | 180.0° | 179.9° |
| C1B | C6B | C5B | H5B | 179.3° | 179.8° |
| C2B | C3B | C4B | H3B | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.5° | 0.0° |
| C2B | C3B | C4B | H4B | 179.5° | 180.0° |
| H2B | C2B | C3B | C4B | 179.5° | 180.0° |
| H2B | C2B | C3B | H3B | 0.5° | 0.0° |
| C3B | C4B | C5B | H4B | 180.0° | 180.0° |
| C3B | C4B | C5B | C6B | 0.4° | 0.2° |
| C3B | C4B | C5B | H5B | 179.6° | 180.0° |
| H3B | C3B | C4B | C5B | 179.5° | 180.0° |
| H3B | C3B | C4B | H4B | 0.4° | 0.0° |
| C4B | C5B | C6B | H5B | 180.0° | 179.8° |
| C4B | C5B | C6B | H6B | 179.4° | 179.7° |
| H4B | C4B | C5B | C6B | 179.6° | 179.8° |
| H4B | C4B | C5B | H5B | 0.3° | 0.0° |
| H5B | C5B | C6B | H6B | 0.7° | 0.1° |
| CA1 | N1 | H1 | C12 | 180.0° | 180.0° |
| N1 | CA1 | C9 | CB1 | 126.3° | 120.0° |
| N1 | CA1 | C9 | HA1 | 118.1° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 117.6° | 120.0° |
| N1 | CA1 | C9 | O4 | 78.7° | 26.3° |
| N1 | CA1 | CB1 | CG11 | 163.5° | 177.4° |
| N1 | CA1 | CB1 | CG21 | 38.3° | 57.4° |
| N1 | CA1 | CB1 | HB1 | 76.8° | 62.6° |
| CA1 | N1 | C12 | O11 | 18.6° | 0.0° |
| CA1 | N1 | C12 | O21 | 166.7° | 180.0° |
| N1 | CA1 | C9 | N4 | 94.4° | 153.7° |
| H1 | N1 | CA1 | C9 | 48.5° | 25.1° |
| H1 | N1 | CA1 | CB1 | 72.7° | 95.0° |
| H1 | N1 | CA1 | HA1 | 172.0° | 145.0° |
| H1 | N1 | C12 | O11 | 161.4° | 179.9° |
| H1 | N1 | C12 | O21 | 13.3° | 0.0° |
| C9 | CA1 | CB1 | HA1 | 123.4° | 120.0° |
| CA1 | C9 | O4 | N4 | 172.3° | 180.0° |
| C9 | CA1 | CB1 | CG11 | 77.5° | 62.6° |
| C9 | CA1 | CB1 | CG21 | 157.3° | 177.4° |
| C9 | CA1 | CB1 | HB1 | 42.3° | 57.4° |
| C9 | CA1 | N1 | C12 | 131.5° | 155.0° |
| CB1 | CA1 | C9 | O4 | 47.6° | 93.7° |
| CA1 | CB1 | CG11 | CG21 | 124.6° | 120.0° |
| CA1 | CB1 | CG11 | HB1 | 120.4° | 120.0° |
| CA1 | CB1 | CG21 | HB1 | 119.9° | 120.0° |
| CA1 | CB1 | CG11 | HG14 | 60.0° | 53.8° |
| CA1 | CB1 | CG11 | HG15 | 60.0° | 173.8° |
| CA1 | CB1 | CG11 | HG16 | 180.0° | 66.2° |
| CA1 | CB1 | CG21 | HG24 | 126.0° | 60.0° |
| CA1 | CB1 | CG21 | HG25 | 6.0° | 180.0° |
| CA1 | CB1 | CG21 | HG26 | 114.0° | 60.0° |
| CB1 | CA1 | C9 | N4 | 139.3° | 86.2° |
| CB1 | CA1 | N1 | C12 | 107.3° | 85.0° |
| HA1 | CA1 | C9 | O4 | 163.2° | 146.3° |
| HA1 | CA1 | CB1 | CG11 | 45.9° | 57.4° |
| HA1 | CA1 | CB1 | CG21 | 79.3° | 62.6° |
| HA1 | CA1 | CB1 | HB1 | 165.7° | 177.4° |
| HA1 | CA1 | C9 | N4 | 23.6° | 33.8° |
| HA1 | CA1 | N1 | C12 | 8.0° | 35.0° |
| CG11 | CB1 | CG21 | HB1 | 119.2° | 120.0° |
| CB1 | CG11 | HG14 | HG15 | 120.0° | 120.0° |
| CB1 | CG11 | HG14 | HG16 | 120.0° | 120.0° |
| CB1 | CG11 | HG15 | HG16 | 120.0° | 120.0° |
| CG11 | CB1 | CG21 | HG24 | 5.2° | 180.0° |
| CG11 | CB1 | CG21 | HG25 | 114.8° | 60.0° |
| CG11 | CB1 | CG21 | HG26 | 125.1° | 60.0° |
| CG21 | CB1 | CG11 | HG14 | 175.4° | 66.2° |
| CG21 | CB1 | CG11 | HG15 | 64.6° | 53.8° |
| CG21 | CB1 | CG11 | HG16 | 55.4° | 173.8° |
| CB1 | CG21 | HG24 | HG25 | 120.0° | 120.0° |
| CB1 | CG21 | HG24 | HG26 | 120.0° | 120.0° |
| CB1 | CG21 | HG25 | HG26 | 120.0° | 120.0° |
| HB1 | CB1 | CG11 | HG14 | 60.4° | 173.9° |
| HB1 | CB1 | CG11 | HG15 | 179.6° | 66.1° |
| HB1 | CB1 | CG11 | HG16 | 59.6° | 53.9° |
| HB1 | CB1 | CG21 | HG24 | 114.1° | 60.0° |
| HB1 | CB1 | CG21 | HG25 | 125.9° | 60.0° |
| HB1 | CB1 | CG21 | HG26 | 5.9° | 180.0° |
| HG14 | CG11 | HG15 | HG16 | 120.0° | 120.0° |
| HG24 | CG21 | HG25 | HG26 | 120.0° | 120.0° |
| O11 | C12 | O21 | N1 | 175.1° | 180.0° |
| O11 | C12 | O21 | C22 | 38.7° | 0.0° |
| C12 | O21 | C22 | C32 | 141.6° | 180.0° |
| C12 | O21 | C22 | H211 | 21.6° | 59.9° |
| C12 | O21 | C22 | H221 | 98.8° | 60.0° |
| O21 | C22 | C32 | H211 | 120.0° | 120.0° |
| O21 | C22 | C32 | H221 | 119.6° | 119.9° |
| O21 | C22 | H211 | H221 | 119.6° | 119.9° |
| O21 | C22 | C32 | C42 | 104.2° | 90.1° |
| O21 | C22 | C32 | C81 | 70.6° | 90.2° |
| C22 | O21 | C12 | N1 | 136.4° | 179.9° |
| C32 | C22 | H211 | H221 | 119.6° | 120.0° |
| C22 | C32 | C42 | C81 | 174.6° | 179.7° |
| C22 | C32 | C42 | C52 | 174.0° | 180.0° |
| C22 | C32 | C42 | H411 | 6.0° | 0.0° |
| C22 | C32 | C81 | C71 | 173.6° | 179.7° |
| C22 | C32 | C81 | H811 | 6.4° | 0.0° |
| H211 | C22 | C32 | C42 | 135.8° | 30.0° |
| H211 | C22 | C32 | C81 | 49.4° | 149.7° |
| H221 | C22 | C32 | C42 | 15.4° | 150.0° |
| H221 | C22 | C32 | C81 | 169.8° | 29.7° |
| C32 | C42 | C52 | H411 | 180.0° | 179.9° |
| C32 | C42 | C52 | C61 | 0.3° | 0.1° |
| C32 | C42 | C52 | H512 | 179.8° | 180.0° |
| C42 | C32 | C81 | C71 | 1.1° | 0.6° |
| C42 | C32 | C81 | H811 | 178.9° | 179.7° |
| C81 | C32 | C42 | C52 | 0.6° | 0.3° |
| C81 | C32 | C42 | H411 | 179.4° | 179.7° |
| C32 | C81 | C71 | C61 | 0.8° | 0.5° |
| C32 | C81 | C71 | H811 | 180.0° | 179.7° |
| C32 | C81 | C71 | H711 | 179.2° | 179.7° |
| C42 | C52 | C61 | H512 | 180.0° | 179.9° |
| C42 | C52 | C61 | C71 | 0.6° | 0.0° |
| C42 | C52 | C61 | H611 | 179.4° | 180.0° |
| H411 | C42 | C52 | C61 | 179.7° | 180.0° |
| H411 | C42 | C52 | H512 | 0.3° | 0.0° |
| C52 | C61 | C71 | H611 | 180.0° | 179.9° |
| C52 | C61 | C71 | C81 | 0.1° | 0.3° |
| C52 | C61 | C71 | H711 | 179.9° | 180.0° |
| H512 | C52 | C61 | C71 | 179.4° | 180.0° |
| H512 | C52 | C61 | H611 | 0.6° | 0.1° |
| C61 | C71 | C81 | H711 | 180.0° | 179.7° |
| C61 | C71 | C81 | H811 | 179.3° | 179.8° |
| H611 | C61 | C71 | C81 | 179.9° | 179.8° |
| H611 | C61 | C71 | H711 | 0.1° | 0.1° |
| H711 | C71 | C81 | H811 | 0.7° | 0.0° |
