BDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.07Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.07Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.07Å | |
| C4 | O4 | sing | 1.36Å | 1.36Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C5 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | O8 | sing | 1.36Å | 1.44Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| O8 | HO8 | sing | 0.97Å | 0.96Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | C16 | sing | 1.37Å | 1.40Å | Aromatic |
| C10 | O10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| O10 | C1' | sing | 1.43Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.09Å | |
| C11 | H112 | sing | 1.09Å | 1.09Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C12 | C15 | sing | 1.53Å | 1.56Å | |
| O12 | H12 | sing | 0.97Å | 0.97Å | |
| C13 | O13 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.09Å | |
| C14 | H142 | sing | 1.09Å | 1.09Å | |
| C14 | H143 | sing | 1.09Å | 1.09Å | |
| C15 | C16 | sing | 1.51Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.09Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | O17 | sing | 1.36Å | 1.43Å | |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| O17 | H17 | sing | 0.97Å | 0.96Å | |
| C18 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | O19 | doub | 1.22Å | 1.25Å | |
| C19 | C20 | sing | 1.48Å | 1.48Å | |
| C21 | H211 | sing | 1.09Å | 1.09Å | |
| C21 | H212 | sing | 1.09Å | 1.09Å | |
| C21 | H213 | sing | 1.09Å | 1.09Å | |
| C1' | C2' | sing | 1.53Å | 1.51Å | |
| C1' | O5' | sing | 1.43Å | 1.44Å | |
| C1' | H1B | sing | 1.09Å | 1.08Å | |
| C2' | C3' | sing | 1.53Å | 1.51Å | |
| C2' | H2'1 | sing | 1.09Å | 1.09Å | |
| C2' | H2'2 | sing | 1.09Å | 1.09Å | |
| C3' | N3' | sing | 1.47Å | 1.42Å | |
| C3' | C4' | sing | 1.53Å | 1.54Å | |
| C3' | H3B | sing | 1.09Å | 1.08Å | |
| N3' | C7' | sing | 1.47Å | 1.43Å | |
| N3' | HN'1 | sing | 1.01Å | 1.04Å | |
| N3' | HN'2 | sing | 1.01Å | 1.04Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.08Å | |
| O4' | HO4' | sing | 0.97Å | 0.96Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| C5' | C6' | sing | 1.53Å | 1.55Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C6' | H6'1 | sing | 1.09Å | 1.09Å | |
| C6' | H6'2 | sing | 1.09Å | 1.09Å | |
| C6' | H6'3 | sing | 1.09Å | 1.09Å | |
| C7' | C8' | sing | 1.51Å | 1.56Å | |
| C7' | H7'1 | sing | 1.09Å | 1.09Å | |
| C7' | H7'2 | sing | 1.09Å | 1.09Å | |
| C8' | C9A | doub | 1.38Å | 1.40Å | Aromatic |
| C8' | C9B | sing | 1.38Å | 1.38Å | Aromatic |
| C9A | C1A | sing | 1.38Å | 1.39Å | Aromatic |
| C9A | H9A | sing | 1.08Å | 1.07Å | |
| C9B | C1C | doub | 1.38Å | 1.39Å | Aromatic |
| C9B | H9B | sing | 1.08Å | 1.06Å | |
| C1B | C2B | doub | 1.39Å | 1.39Å | Aromatic |
| C1B | CK' | sing | 1.39Å | 1.39Å | Aromatic |
| C1B | H1' | sing | 1.08Å | 1.07Å | |
| C2B | C3B | sing | 1.38Å | 1.39Å | Aromatic |
| C2B | H2' | sing | 1.08Å | 1.07Å | |
| C3B | C4B | doub | 1.39Å | 1.40Å | Aromatic |
| C3B | H3' | sing | 1.08Å | 1.07Å | |
| C4B | O4B | sing | 1.36Å | 1.36Å | |
| C4B | C5B | sing | 1.40Å | 1.41Å | Aromatic |
| O4B | CL' | sing | 1.43Å | 1.44Å | |
| C5B | C6B | sing | 1.47Å | 1.48Å | |
| C5B | CK' | doub | 1.41Å | 1.40Å | Aromatic |
| C6B | O6' | doub | 1.22Å | 1.24Å | |
| C6B | C7B | sing | 1.48Å | 1.48Å | |
| C7B | C8B | sing | 1.39Å | 1.39Å | Aromatic |
| C7B | CI' | doub | 1.41Å | 1.40Å | Aromatic |
| C8B | O8' | sing | 1.36Å | 1.44Å | |
| C8B | C9' | doub | 1.40Å | 1.39Å | Aromatic |
| O8' | HO8' | sing | 0.97Å | 0.96Å | |
| C9' | CA' | sing | 1.51Å | 1.52Å | |
| C9' | CG' | sing | 1.37Å | 1.40Å | Aromatic |
| CA' | OA' | sing | 1.43Å | 1.43Å | |
| CA' | CB' | sing | 1.53Å | 1.53Å | |
| CA' | H10' | sing | 1.09Å | 1.08Å | |
| OA' | C1D | sing | 1.43Å | 1.45Å | |
| CB' | CC' | sing | 1.53Å | 1.53Å | |
| CB' | HL'1 | sing | 1.09Å | 1.09Å | |
| CB' | HL'2 | sing | 1.09Å | 1.09Å | |
| CC' | OC' | sing | 1.43Å | 1.43Å | |
| CC' | CD' | sing | 1.51Å | 1.56Å | |
| CC' | CF' | sing | 1.53Å | 1.56Å | |
| OC' | H12' | sing | 0.97Å | 0.97Å | |
| CD' | OD' | doub | 1.21Å | 1.24Å | |
| CD' | CE' | sing | 1.51Å | 1.53Å | |
| CE' | HK'1 | sing | 1.09Å | 1.09Å | |
| CE' | HK'2 | sing | 1.09Å | 1.09Å | |
| CE' | HK'3 | sing | 1.09Å | 1.09Å | |
| CF' | CG' | sing | 1.51Å | 1.55Å | |
| CF' | HJ'1 | sing | 1.09Å | 1.08Å | |
| CF' | HJ'2 | sing | 1.09Å | 1.09Å | |
| CG' | CH' | doub | 1.40Å | 1.40Å | Aromatic |
| CH' | OH' | sing | 1.36Å | 1.43Å | |
| CH' | CI' | sing | 1.39Å | 1.40Å | Aromatic |
| OH' | H17' | sing | 0.97Å | 0.96Å | |
| CI' | CJ' | sing | 1.47Å | 1.48Å | |
| CJ' | OJ' | doub | 1.22Å | 1.25Å | |
| CJ' | CK' | sing | 1.48Å | 1.48Å | |
| CL' | HI'1 | sing | 1.09Å | 1.09Å | |
| CL' | HI'2 | sing | 1.09Å | 1.09Å | |
| CL' | HI'3 | sing | 1.09Å | 1.09Å | |
| C1D | C2D | sing | 1.53Å | 1.51Å | |
| C1D | O5D | sing | 1.43Å | 1.44Å | |
| C1D | H1D | sing | 1.09Å | 1.08Å | |
| C2D | C3D | sing | 1.53Å | 1.51Å | |
| C2D | H2B | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.09Å | |
| C3D | N3D | sing | 1.47Å | 1.41Å | |
| C3D | C4D | sing | 1.53Å | 1.54Å | |
| C3D | H3D | sing | 1.09Å | 1.08Å | |
| N3D | C7D | sing | 1.47Å | 1.44Å | |
| N3D | HNB | sing | 1.01Å | 1.04Å | |
| N3D | HND | sing | 1.01Å | 1.04Å | |
| C4D | O4D | sing | 1.43Å | 1.43Å | |
| C4D | C5D | sing | 1.53Å | 1.54Å | |
| C4D | H4D | sing | 1.09Å | 1.08Å | |
| O4D | HO4A | sing | 0.97Å | 0.96Å | |
| C5D | O5D | sing | 1.43Å | 1.44Å | |
| C5D | C6D | sing | 1.53Å | 1.55Å | |
| C5D | H5D | sing | 1.09Å | 1.10Å | |
| C6D | H6B | sing | 1.09Å | 1.09Å | |
| C6D | H6D | sing | 1.09Å | 1.09Å | |
| C6D | H6E | sing | 1.09Å | 1.09Å | |
| C7D | C8D | sing | 1.51Å | 1.56Å | |
| C7D | H7B | sing | 1.09Å | 1.09Å | |
| C7D | H7D | sing | 1.09Å | 1.10Å | |
| C8D | C1A | doub | 1.38Å | 1.38Å | Aromatic |
| C8D | C1C | sing | 1.38Å | 1.40Å | Aromatic |
| C1A | H9A' | sing | 1.08Å | 1.06Å | |
| C1C | H9B' | sing | 1.08Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C20 | 120.2° | 119.9° |
| C2 | C1 | H1 | 118.9° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.6° |
| C1 | C2 | H2 | 119.7° | 119.7° |
| C20 | C1 | H1 | 120.9° | 120.1° |
| C1 | C20 | C5 | 119.9° | 119.8° |
| C1 | C20 | C19 | 119.6° | 120.6° |
| C3 | C2 | H2 | 120.1° | 119.7° |
| C2 | C3 | C4 | 120.5° | 120.4° |
| C2 | C3 | H3 | 118.5° | 119.8° |
| C4 | C3 | H3 | 121.0° | 119.8° |
| C3 | C4 | O4 | 121.4° | 120.2° |
| C3 | C4 | C5 | 119.4° | 119.6° |
| O4 | C4 | C5 | 119.2° | 120.2° |
| C4 | O4 | C21 | 121.7° | 106.8° |
| C4 | C5 | C6 | 120.8° | 120.6° |
| C4 | C5 | C20 | 119.8° | 119.7° |
| O4 | C21 | H211 | 110.3° | 109.5° |
| O4 | C21 | H212 | 110.5° | 109.4° |
| O4 | C21 | H213 | 108.2° | 109.4° |
| C6 | C5 | C20 | 119.3° | 119.7° |
| C5 | C6 | O6 | 120.3° | 120.4° |
| C5 | C6 | C7 | 120.2° | 119.2° |
| C5 | C20 | C19 | 120.4° | 119.6° |
| O6 | C6 | C7 | 119.5° | 120.4° |
| C6 | C7 | C8 | 119.8° | 120.9° |
| C6 | C7 | C18 | 120.5° | 119.7° |
| C8 | C7 | C18 | 119.7° | 119.5° |
| C7 | C8 | O8 | 121.8° | 119.8° |
| C7 | C8 | C9 | 120.4° | 120.4° |
| C7 | C18 | C17 | 119.6° | 119.4° |
| C7 | C18 | C19 | 119.3° | 119.7° |
| O8 | C8 | C9 | 117.8° | 119.8° |
| C8 | O8 | HO8 | 107.1° | 106.8° |
| C8 | C9 | C10 | 118.4° | 117.3° |
| C8 | C9 | C16 | 120.4° | 120.1° |
| C10 | C9 | C16 | 121.2° | 122.6° |
| C9 | C10 | O10 | 109.5° | 109.3° |
| C9 | C10 | C11 | 114.8° | 110.7° |
| C9 | C10 | H10 | 105.4° | 109.2° |
| C9 | C16 | C15 | 120.5° | 122.6° |
| C9 | C16 | C17 | 119.4° | 120.1° |
| O10 | C10 | C11 | 115.0° | 109.3° |
| O10 | C10 | H10 | 104.6° | 109.2° |
| C10 | O10 | C1' | 111.9° | 106.9° |
| C11 | C10 | H10 | 106.5° | 109.2° |
| C10 | C11 | C12 | 112.7° | 108.3° |
| C10 | C11 | H111 | 105.9° | 109.7° |
| C10 | C11 | H112 | 108.3° | 109.6° |
| O10 | C1' | C2' | 113.8° | 109.4° |
| O10 | C1' | O5' | 109.8° | 109.3° |
| O10 | C1' | H1B | 108.8° | 109.5° |
| C12 | C11 | H111 | 106.9° | 109.7° |
| C12 | C11 | H112 | 111.7° | 109.7° |
| C11 | C12 | O12 | 109.3° | 109.7° |
| C11 | C12 | C13 | 108.6° | 109.7° |
| C11 | C12 | C15 | 108.5° | 108.3° |
| H111 | C11 | H112 | 111.2° | 109.8° |
| O12 | C12 | C13 | 108.1° | 109.7° |
| O12 | C12 | C15 | 113.4° | 109.7° |
| C12 | O12 | H12 | 107.1° | 106.8° |
| C13 | C12 | C15 | 108.9° | 109.7° |
| C12 | C13 | O13 | 120.2° | 120.0° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C12 | C15 | C16 | 115.8° | 110.7° |
| C12 | C15 | H151 | 108.8° | 109.3° |
| C12 | C15 | H152 | 110.0° | 109.2° |
| O13 | C13 | C14 | 118.5° | 119.9° |
| C13 | C14 | H141 | 110.3° | 109.5° |
| C13 | C14 | H142 | 110.1° | 109.5° |
| C13 | C14 | H143 | 107.7° | 109.4° |
| H141 | C14 | H142 | 110.7° | 109.5° |
| H141 | C14 | H143 | 109.2° | 109.4° |
| H142 | C14 | H143 | 108.8° | 109.5° |
| C16 | C15 | H151 | 109.5° | 109.3° |
| C16 | C15 | H152 | 107.1° | 109.3° |
| C15 | C16 | C17 | 120.0° | 117.3° |
| H151 | C15 | H152 | 105.0° | 109.2° |
| C16 | C17 | O17 | 119.0° | 119.8° |
| C16 | C17 | C18 | 120.3° | 120.5° |
| O17 | C17 | C18 | 120.6° | 119.8° |
| C17 | O17 | H17 | 102.8° | 106.8° |
| C17 | C18 | C19 | 121.0° | 120.9° |
| C18 | C19 | O19 | 120.5° | 120.4° |
| C18 | C19 | C20 | 120.1° | 119.2° |
| O19 | C19 | C20 | 119.3° | 120.4° |
| H211 | C21 | H212 | 110.1° | 109.5° |
| H211 | C21 | H213 | 108.9° | 109.5° |
| H212 | C21 | H213 | 108.8° | 109.5° |
| C2' | C1' | O5' | 109.3° | 109.8° |
| C2' | C1' | H1B | 104.5° | 109.4° |
| C1' | C2' | C3' | 106.9° | 109.0° |
| C1' | C2' | H2'1 | 112.3° | 109.5° |
| C1' | C2' | H2'2 | 110.8° | 109.6° |
| O5' | C1' | H1B | 110.5° | 109.4° |
| C1' | O5' | C5' | 109.8° | 107.6° |
| C3' | C2' | H2'1 | 111.5° | 109.6° |
| C3' | C2' | H2'2 | 105.3° | 109.5° |
| C2' | C3' | N3' | 104.7° | 109.6° |
| C2' | C3' | C4' | 109.9° | 108.8° |
| C2' | C3' | H3B | 110.2° | 109.5° |
| H2'1 | C2' | H2'2 | 109.9° | 109.6° |
| N3' | C3' | C4' | 115.6° | 109.6° |
| N3' | C3' | H3B | 107.5° | 109.6° |
| C3' | N3' | C7' | 118.8° | 109.5° |
| C3' | N3' | HN'1 | 102.2° | 109.5° |
| C3' | N3' | HN'2 | 109.8° | 109.5° |
| C4' | C3' | H3B | 108.9° | 109.6° |
| C3' | C4' | O4' | 113.5° | 109.4° |
| C3' | C4' | C5' | 108.8° | 109.0° |
| C3' | C4' | H4' | 105.4° | 109.8° |
| C7' | N3' | HN'1 | 108.5° | 109.4° |
| C7' | N3' | HN'2 | 107.5° | 109.5° |
| N3' | C7' | C8' | 108.1° | 109.5° |
| N3' | C7' | H7'1 | 107.0° | 109.5° |
| N3' | C7' | H7'2 | 111.8° | 109.5° |
| HN'1 | N3' | HN'2 | 109.7° | 109.5° |
| O4' | C4' | C5' | 112.9° | 109.6° |
| O4' | C4' | H4' | 110.2° | 109.5° |
| C4' | O4' | HO4' | 106.3° | 106.8° |
| C5' | C4' | H4' | 105.5° | 109.6° |
| C4' | C5' | O5' | 109.0° | 109.9° |
| C4' | C5' | C6' | 113.5° | 109.3° |
| C4' | C5' | H5' | 104.6° | 109.3° |
| O5' | C5' | C6' | 109.6° | 109.4° |
| O5' | C5' | H5' | 106.1° | 109.4° |
| C6' | C5' | H5' | 113.7° | 109.5° |
| C5' | C6' | H6'1 | 110.4° | 109.4° |
| C5' | C6' | H6'2 | 110.7° | 109.5° |
| C5' | C6' | H6'3 | 111.5° | 109.4° |
| H6'1 | C6' | H6'2 | 107.2° | 109.5° |
| H6'1 | C6' | H6'3 | 108.2° | 109.5° |
| H6'2 | C6' | H6'3 | 108.7° | 109.5° |
| C8' | C7' | H7'1 | 110.9° | 109.5° |
| C8' | C7' | H7'2 | 114.1° | 109.5° |
| C7' | C8' | C9A | 121.5° | 120.0° |
| C7' | C8' | C9B | 119.3° | 120.0° |
| H7'1 | C7' | H7'2 | 104.7° | 109.4° |
| C9A | C8' | C9B | 118.9° | 120.0° |
| C8' | C9A | C1A | 120.7° | 120.0° |
| C8' | C9A | H9A | 118.7° | 120.0° |
| C8' | C9B | C1C | 120.5° | 120.0° |
| C8' | C9B | H9B | 115.1° | 119.9° |
| C1A | C9A | H9A | 120.6° | 120.0° |
| C9A | C1A | C8D | 120.4° | 120.1° |
| C9A | C1A | H9A' | 124.6° | 120.0° |
| C1C | C9B | H9B | 124.5° | 120.0° |
| C9B | C1C | C8D | 120.6° | 120.0° |
| C9B | C1C | H9B' | 120.5° | 120.0° |
| C2B | C1B | CK' | 120.2° | 120.0° |
| C2B | C1B | H1' | 118.8° | 119.9° |
| C1B | C2B | C3B | 120.2° | 120.5° |
| C1B | C2B | H2' | 119.7° | 119.8° |
| CK' | C1B | H1' | 121.0° | 120.0° |
| C1B | CK' | C5B | 119.9° | 119.7° |
| C1B | CK' | CJ' | 119.6° | 120.6° |
| C3B | C2B | H2' | 120.1° | 119.7° |
| C2B | C3B | C4B | 120.5° | 120.4° |
| C2B | C3B | H3' | 118.5° | 119.7° |
| C4B | C3B | H3' | 121.0° | 119.8° |
| C3B | C4B | O4B | 121.4° | 120.2° |
| C3B | C4B | C5B | 119.4° | 119.6° |
| O4B | C4B | C5B | 119.2° | 120.2° |
| C4B | O4B | CL' | 121.8° | 106.8° |
| C4B | C5B | C6B | 120.8° | 120.6° |
| C4B | C5B | CK' | 119.8° | 119.7° |
| O4B | CL' | HI'1 | 110.3° | 109.5° |
| O4B | CL' | HI'2 | 110.5° | 109.5° |
| O4B | CL' | HI'3 | 108.2° | 109.5° |
| C6B | C5B | CK' | 119.2° | 119.7° |
| C5B | C6B | O6' | 120.3° | 120.4° |
| C5B | C6B | C7B | 120.3° | 119.2° |
| C5B | CK' | CJ' | 120.5° | 119.6° |
| O6' | C6B | C7B | 119.4° | 120.4° |
| C6B | C7B | C8B | 119.8° | 120.9° |
| C6B | C7B | CI' | 120.4° | 119.6° |
| C8B | C7B | CI' | 119.7° | 119.5° |
| C7B | C8B | O8' | 121.7° | 119.8° |
| C7B | C8B | C9' | 120.4° | 120.4° |
| C7B | CI' | CH' | 119.6° | 119.4° |
| C7B | CI' | CJ' | 119.3° | 119.7° |
| O8' | C8B | C9' | 117.8° | 119.8° |
| C8B | O8' | HO8' | 107.1° | 106.8° |
| C8B | C9' | CA' | 118.4° | 117.3° |
| C8B | C9' | CG' | 120.4° | 120.2° |
| CA' | C9' | CG' | 121.2° | 122.5° |
| C9' | CA' | OA' | 109.5° | 109.2° |
| C9' | CA' | CB' | 114.8° | 110.7° |
| C9' | CA' | H10' | 105.4° | 109.2° |
| C9' | CG' | CF' | 120.6° | 122.6° |
| C9' | CG' | CH' | 119.5° | 120.1° |
| OA' | CA' | CB' | 115.0° | 109.3° |
| OA' | CA' | H10' | 104.5° | 109.2° |
| CA' | OA' | C1D | 112.0° | 106.9° |
| CB' | CA' | H10' | 106.5° | 109.2° |
| CA' | CB' | CC' | 112.7° | 108.4° |
| CA' | CB' | HL'1 | 105.8° | 109.6° |
| CA' | CB' | HL'2 | 108.3° | 109.7° |
| OA' | C1D | C2D | 113.7° | 109.4° |
| OA' | C1D | O5D | 109.6° | 109.4° |
| OA' | C1D | H1D | 109.2° | 109.4° |
| CC' | CB' | HL'1 | 106.9° | 109.7° |
| CC' | CB' | HL'2 | 111.7° | 109.7° |
| CB' | CC' | OC' | 109.3° | 109.7° |
| CB' | CC' | CD' | 108.6° | 109.7° |
| CB' | CC' | CF' | 108.5° | 108.3° |
| HL'1 | CB' | HL'2 | 111.3° | 109.7° |
| OC' | CC' | CD' | 108.3° | 109.7° |
| OC' | CC' | CF' | 113.1° | 109.7° |
| CC' | OC' | H12' | 107.2° | 106.8° |
| CD' | CC' | CF' | 108.9° | 109.7° |
| CC' | CD' | OD' | 120.0° | 120.0° |
| CC' | CD' | CE' | 121.6° | 120.0° |
| CC' | CF' | CG' | 115.9° | 110.7° |
| CC' | CF' | HJ'1 | 108.8° | 109.2° |
| CC' | CF' | HJ'2 | 109.8° | 109.2° |
| OD' | CD' | CE' | 118.2° | 120.0° |
| CD' | CE' | HK'1 | 110.4° | 109.4° |
| CD' | CE' | HK'2 | 110.4° | 109.5° |
| CD' | CE' | HK'3 | 108.0° | 109.4° |
| HK'1 | CE' | HK'2 | 110.9° | 109.5° |
| HK'1 | CE' | HK'3 | 108.8° | 109.5° |
| HK'2 | CE' | HK'3 | 108.3° | 109.5° |
| CG' | CF' | HJ'1 | 109.3° | 109.2° |
| CG' | CF' | HJ'2 | 107.0° | 109.3° |
| CF' | CG' | CH' | 119.9° | 117.3° |
| HJ'1 | CF' | HJ'2 | 105.7° | 109.2° |
| CG' | CH' | OH' | 119.0° | 119.8° |
| CG' | CH' | CI' | 120.3° | 120.4° |
| OH' | CH' | CI' | 120.6° | 119.7° |
| CH' | OH' | H17' | 102.8° | 106.8° |
| CH' | CI' | CJ' | 121.0° | 120.9° |
| CI' | CJ' | OJ' | 120.5° | 120.4° |
| CI' | CJ' | CK' | 120.1° | 119.2° |
| OJ' | CJ' | CK' | 119.4° | 120.4° |
| HI'1 | CL' | HI'2 | 110.1° | 109.4° |
| HI'1 | CL' | HI'3 | 108.9° | 109.5° |
| HI'2 | CL' | HI'3 | 108.8° | 109.5° |
| C2D | C1D | O5D | 109.3° | 109.8° |
| C2D | C1D | H1D | 104.1° | 109.5° |
| C1D | C2D | C3D | 107.1° | 109.0° |
| C1D | C2D | H2B | 112.2° | 109.6° |
| C1D | C2D | H2D | 110.7° | 109.6° |
| O5D | C1D | H1D | 110.8° | 109.4° |
| C1D | O5D | C5D | 110.0° | 107.6° |
| C3D | C2D | H2B | 111.4° | 109.5° |
| C3D | C2D | H2D | 105.4° | 109.6° |
| C2D | C3D | N3D | 105.0° | 109.6° |
| C2D | C3D | C4D | 109.8° | 108.7° |
| C2D | C3D | H3D | 110.2° | 109.6° |
| H2B | C2D | H2D | 109.9° | 109.6° |
| N3D | C3D | C4D | 115.6° | 109.7° |
| N3D | C3D | H3D | 106.0° | 109.6° |
| C3D | N3D | C7D | 118.7° | 109.5° |
| C3D | N3D | HNB | 102.0° | 109.5° |
| C3D | N3D | HND | 109.8° | 109.5° |
| C4D | C3D | H3D | 110.0° | 109.6° |
| C3D | C4D | O4D | 113.4° | 109.6° |
| C3D | C4D | C5D | 109.1° | 109.0° |
| C3D | C4D | H4D | 105.4° | 109.5° |
| C7D | N3D | HNB | 108.5° | 109.5° |
| C7D | N3D | HND | 107.7° | 109.5° |
| N3D | C7D | C8D | 108.0° | 109.5° |
| N3D | C7D | H7B | 107.1° | 109.5° |
| N3D | C7D | H7D | 112.0° | 109.5° |
| HNB | N3D | HND | 109.8° | 109.4° |
| O4D | C4D | C5D | 112.8° | 109.7° |
| O4D | C4D | H4D | 110.1° | 109.5° |
| C4D | O4D | HO4A | 106.4° | 106.8° |
| C5D | C4D | H4D | 105.6° | 109.5° |
| C4D | C5D | O5D | 108.8° | 109.7° |
| C4D | C5D | C6D | 113.1° | 109.4° |
| C4D | C5D | H5D | 104.6° | 109.5° |
| O5D | C5D | C6D | 110.5° | 109.4° |
| O5D | C5D | H5D | 105.9° | 109.4° |
| C6D | C5D | H5D | 113.6° | 109.4° |
| C5D | C6D | H6B | 110.9° | 109.5° |
| C5D | C6D | H6D | 111.1° | 109.5° |
| C5D | C6D | H6E | 112.2° | 109.5° |
| H6B | C6D | H6D | 107.3° | 109.5° |
| H6B | C6D | H6E | 107.2° | 109.4° |
| H6D | C6D | H6E | 107.8° | 109.4° |
| C8D | C7D | H7B | 111.0° | 109.5° |
| C8D | C7D | H7D | 114.3° | 109.5° |
| C7D | C8D | C1A | 119.4° | 120.1° |
| C7D | C8D | C1C | 121.5° | 120.0° |
| H7B | C7D | H7D | 104.3° | 109.4° |
| C1A | C8D | C1C | 118.9° | 119.9° |
| C8D | C1A | H9A' | 115.0° | 119.9° |
| C8D | C1C | H9B' | 118.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C20 | H1 | 179.9° | 180.0° |
| C1 | C2 | C3 | H2 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.0° |
| C1 | C2 | C3 | H3 | 178.8° | 180.0° |
| C2 | C1 | C20 | C5 | 0.7° | 0.0° |
| C2 | C1 | C20 | C19 | 176.0° | 180.0° |
| C20 | C1 | C2 | C3 | 0.9° | 0.0° |
| C20 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C20 | C5 | C4 | 1.3° | 0.0° |
| C1 | C20 | C5 | C6 | 173.9° | 179.9° |
| C1 | C20 | C5 | C19 | 176.7° | 180.0° |
| C1 | C20 | C19 | C18 | 175.5° | 166.1° |
| C1 | C20 | C19 | O19 | 1.7° | 13.9° |
| H1 | C1 | C2 | C3 | 179.2° | 180.0° |
| H1 | C1 | C2 | H2 | 0.8° | 0.0° |
| H1 | C1 | C20 | C5 | 179.4° | 180.0° |
| H1 | C1 | C20 | C19 | 3.9° | 0.0° |
| C2 | C3 | C4 | H3 | 179.7° | 179.9° |
| C2 | C3 | C4 | O4 | 175.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.0° | 0.0° |
| H2 | C2 | C3 | C4 | 179.0° | 180.0° |
| H2 | C2 | C3 | H3 | 1.3° | 0.0° |
| C3 | C4 | O4 | C5 | 178.0° | 180.0° |
| C3 | C4 | O4 | C21 | 8.2° | 0.0° |
| C3 | C4 | C5 | C6 | 172.0° | 180.0° |
| C3 | C4 | C5 | C20 | 3.2° | 0.0° |
| H3 | C3 | C4 | O4 | 5.2° | 0.1° |
| H3 | C3 | C4 | C5 | 176.8° | 180.0° |
| O4 | C4 | C5 | C6 | 9.9° | 0.1° |
| O4 | C4 | C5 | C20 | 174.9° | 180.0° |
| C4 | O4 | C21 | H211 | 60.0° | 180.0° |
| C4 | O4 | C21 | H212 | 62.0° | 60.0° |
| C4 | O4 | C21 | H213 | 179.0° | 60.0° |
| C5 | C4 | O4 | C21 | 173.8° | 180.0° |
| C4 | C5 | C6 | C20 | 175.2° | 179.9° |
| C4 | C5 | C6 | O6 | 1.7° | 13.8° |
| C4 | C5 | C6 | C7 | 176.0° | 166.2° |
| C4 | C5 | C20 | C19 | 178.1° | 180.0° |
| O4 | C21 | H211 | H212 | 122.2° | 120.0° |
| O4 | C21 | H211 | H213 | 118.6° | 120.0° |
| O4 | C21 | H212 | H213 | 118.7° | 119.9° |
| C5 | C6 | O6 | C7 | 177.7° | 180.0° |
| C5 | C6 | C7 | C8 | 175.0° | 166.3° |
| C5 | C6 | C7 | C18 | 3.1° | 13.7° |
| C6 | C5 | C20 | C19 | 2.8° | 0.1° |
| C20 | C5 | C6 | O6 | 176.9° | 166.2° |
| C20 | C5 | C6 | C7 | 0.8° | 13.7° |
| C5 | C20 | C19 | C18 | 1.2° | 13.9° |
| C5 | C20 | C19 | O19 | 178.5° | 166.1° |
| O6 | C6 | C7 | C8 | 2.7° | 13.8° |
| O6 | C6 | C7 | C18 | 179.3° | 166.2° |
| C6 | C7 | C8 | C18 | 178.1° | 180.0° |
| C6 | C7 | C8 | O8 | 4.4° | 0.1° |
| C6 | C7 | C8 | C9 | 179.0° | 179.9° |
| C6 | C7 | C18 | C17 | 179.0° | 179.9° |
| C6 | C7 | C18 | C19 | 4.6° | 0.1° |
| C7 | C8 | O8 | C9 | 176.7° | 179.9° |
| C7 | C8 | O8 | HO8 | 55.3° | 92.7° |
| C7 | C8 | C9 | C10 | 179.1° | 179.7° |
| C7 | C8 | C9 | C16 | 1.6° | 0.1° |
| C8 | C7 | C18 | C17 | 3.0° | 0.1° |
| C8 | C7 | C18 | C19 | 173.5° | 179.9° |
| C18 | C7 | C8 | O8 | 177.5° | 179.9° |
| C18 | C7 | C8 | C9 | 1.0° | 0.1° |
| C7 | C18 | C17 | C16 | 2.4° | 0.0° |
| C7 | C18 | C17 | O17 | 174.1° | 180.0° |
| C7 | C18 | C17 | C19 | 176.4° | 180.0° |
| C7 | C18 | C19 | O19 | 174.6° | 166.1° |
| C7 | C18 | C19 | C20 | 2.6° | 13.9° |
| O8 | C8 | C9 | C10 | 4.2° | 0.2° |
| O8 | C8 | C9 | C16 | 175.1° | 179.9° |
| C9 | C8 | O8 | HO8 | 121.4° | 87.3° |
| C8 | C9 | C10 | C16 | 179.3° | 179.9° |
| C8 | C9 | C10 | O10 | 68.4° | 42.0° |
| C8 | C9 | C10 | C11 | 160.5° | 162.4° |
| C8 | C9 | C10 | H10 | 43.6° | 77.3° |
| C8 | C9 | C16 | C15 | 174.8° | 179.6° |
| C8 | C9 | C16 | C17 | 2.2° | 0.3° |
| C9 | C10 | O10 | C11 | 131.0° | 121.2° |
| C9 | C10 | O10 | H10 | 112.6° | 119.3° |
| C9 | C10 | C11 | H10 | 116.3° | 120.2° |
| C9 | C10 | O10 | C1' | 117.5° | 126.8° |
| C9 | C10 | C11 | C12 | 46.9° | 51.1° |
| C9 | C10 | C11 | H111 | 163.5° | 170.8° |
| C9 | C10 | C11 | H112 | 77.1° | 68.6° |
| C10 | C9 | C16 | C15 | 4.5° | 0.5° |
| C10 | C9 | C16 | C17 | 178.5° | 179.6° |
| C16 | C9 | C10 | O10 | 112.3° | 138.1° |
| C16 | C9 | C10 | C11 | 18.7° | 17.7° |
| C16 | C9 | C10 | H10 | 135.7° | 102.5° |
| C9 | C16 | C15 | C12 | 17.9° | 17.6° |
| C9 | C16 | C15 | C17 | 177.0° | 179.9° |
| C9 | C16 | C15 | H151 | 141.3° | 138.0° |
| C9 | C16 | C15 | H152 | 105.3° | 102.6° |
| C9 | C16 | C17 | O17 | 176.7° | 179.8° |
| C9 | C16 | C17 | C18 | 0.1° | 0.2° |
| O10 | C10 | C11 | H10 | 115.4° | 119.4° |
| O10 | C10 | C11 | C12 | 81.4° | 171.5° |
| O10 | C10 | C11 | H111 | 35.2° | 68.8° |
| O10 | C10 | C11 | H112 | 154.6° | 51.8° |
| C10 | O10 | C1' | C2' | 157.8° | 166.2° |
| C10 | O10 | C1' | O5' | 79.3° | 73.6° |
| C10 | O10 | C1' | H1B | 41.7° | 46.2° |
| C11 | C10 | O10 | C1' | 111.5° | 111.9° |
| C10 | C11 | C12 | H111 | 115.9° | 119.7° |
| C10 | C11 | C12 | H112 | 122.2° | 119.6° |
| C10 | C11 | H111 | H112 | 117.4° | 120.6° |
| C10 | C11 | C12 | O12 | 65.8° | 170.5° |
| C10 | C11 | C12 | C13 | 176.5° | 50.0° |
| C10 | C11 | C12 | C15 | 58.3° | 69.8° |
| H10 | C10 | O10 | C1' | 5.0° | 7.5° |
| H10 | C10 | C11 | C12 | 163.2° | 69.1° |
| H10 | C10 | C11 | H111 | 80.2° | 50.6° |
| H10 | C10 | C11 | H112 | 39.2° | 171.2° |
| O10 | C1' | C2' | O5' | 123.1° | 120.0° |
| O10 | C1' | C2' | H1B | 118.6° | 119.9° |
| O10 | C1' | O5' | H1B | 120.0° | 119.9° |
| O10 | C1' | C2' | C3' | 59.2° | 58.8° |
| O10 | C1' | C2' | H2'1 | 63.3° | 61.1° |
| O10 | C1' | C2' | H2'2 | 173.4° | 178.6° |
| O10 | C1' | O5' | C5' | 57.6° | 52.5° |
| C12 | C11 | H111 | H112 | 122.2° | 120.6° |
| C11 | C12 | O12 | C13 | 118.0° | 120.5° |
| C11 | C12 | O12 | C15 | 121.1° | 118.9° |
| C11 | C12 | C13 | C15 | 117.9° | 118.9° |
| C11 | C12 | O12 | H12 | 112.6° | 180.0° |
| C11 | C12 | C13 | O13 | 112.9° | 93.5° |
| C11 | C12 | C13 | C14 | 62.9° | 86.5° |
| C11 | C12 | C15 | C16 | 43.7° | 51.0° |
| C11 | C12 | C15 | H151 | 167.5° | 171.4° |
| C11 | C12 | C15 | H152 | 77.9° | 69.3° |
| H111 | C11 | C12 | O12 | 50.2° | 50.8° |
| H111 | C11 | C12 | C13 | 67.6° | 69.7° |
| H111 | C11 | C12 | C15 | 174.3° | 170.5° |
| H112 | C11 | C12 | O12 | 172.0° | 69.8° |
| H112 | C11 | C12 | C13 | 54.3° | 169.6° |
| H112 | C11 | C12 | C15 | 63.9° | 49.9° |
| O12 | C12 | C13 | C15 | 123.6° | 120.6° |
| O12 | C12 | C13 | O13 | 128.6° | 146.0° |
| O12 | C12 | C13 | C14 | 55.5° | 34.0° |
| O12 | C12 | C15 | C16 | 77.9° | 170.7° |
| O12 | C12 | C15 | H151 | 45.9° | 68.9° |
| O12 | C12 | C15 | H152 | 160.5° | 50.4° |
| C13 | C12 | O12 | H12 | 129.4° | 59.5° |
| C12 | C13 | O13 | C14 | 176.0° | 180.0° |
| C12 | C13 | C14 | H141 | 59.6° | 180.0° |
| C12 | C13 | C14 | H142 | 62.8° | 60.0° |
| C12 | C13 | C14 | H143 | 178.7° | 60.1° |
| C13 | C12 | C15 | C16 | 161.7° | 68.8° |
| C13 | C12 | C15 | H151 | 74.5° | 51.6° |
| C13 | C12 | C15 | H152 | 40.1° | 170.9° |
| C15 | C12 | O12 | H12 | 8.5° | 61.1° |
| C15 | C12 | C13 | O13 | 5.0° | 25.4° |
| C15 | C12 | C13 | C14 | 179.2° | 154.6° |
| C12 | C15 | C16 | H151 | 123.4° | 120.4° |
| C12 | C15 | C16 | H152 | 123.1° | 120.2° |
| C12 | C15 | H151 | H152 | 117.8° | 119.3° |
| C12 | C15 | C16 | C17 | 165.1° | 162.5° |
| O13 | C13 | C14 | H141 | 124.4° | 0.1° |
| O13 | C13 | C14 | H142 | 113.1° | 120.0° |
| O13 | C13 | C14 | H143 | 5.4° | 120.0° |
| C13 | C14 | H141 | H142 | 122.1° | 120.0° |
| C13 | C14 | H141 | H143 | 118.1° | 119.9° |
| C13 | C14 | H142 | H143 | 117.8° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 114.8° | 119.5° |
| C15 | C16 | C17 | O17 | 0.3° | 0.3° |
| C15 | C16 | C17 | C18 | 176.9° | 179.7° |
| H151 | C15 | C16 | C17 | 41.7° | 42.1° |
| H152 | C15 | C16 | C17 | 71.7° | 77.2° |
| C16 | C17 | O17 | C18 | 176.5° | 179.9° |
| C16 | C17 | O17 | H17 | 174.1° | 90.0° |
| C16 | C17 | C18 | C19 | 173.9° | 179.9° |
| O17 | C17 | C18 | C19 | 9.6° | 0.0° |
| C18 | C17 | O17 | H17 | 9.3° | 89.9° |
| C17 | C18 | C19 | O19 | 1.8° | 14.0° |
| C17 | C18 | C19 | C20 | 178.9° | 166.1° |
| C18 | C19 | O19 | C20 | 177.2° | 179.9° |
| H211 | C21 | H212 | H213 | 119.3° | 120.1° |
| C2' | C1' | O5' | H1B | 114.5° | 120.1° |
| C1' | C2' | C3' | H2'1 | 123.0° | 119.9° |
| C1' | C2' | C3' | H2'2 | 117.9° | 119.9° |
| C1' | C2' | H2'1 | H2'2 | 123.8° | 120.2° |
| C1' | C2' | C3' | N3' | 176.9° | 173.5° |
| C1' | C2' | C3' | C4' | 58.3° | 53.6° |
| C1' | C2' | C3' | H3B | 61.6° | 66.2° |
| C2' | C1' | O5' | C5' | 67.9° | 67.6° |
| O5' | C1' | C2' | C3' | 63.9° | 61.2° |
| O5' | C1' | C2' | H2'1 | 173.6° | 178.9° |
| O5' | C1' | C2' | H2'2 | 50.3° | 58.6° |
| C1' | O5' | C5' | C4' | 63.6° | 67.5° |
| C1' | O5' | C5' | C6' | 171.7° | 172.4° |
| C1' | O5' | C5' | H5' | 48.6° | 52.4° |
| H1B | C1' | C2' | C3' | 177.8° | 178.7° |
| H1B | C1' | C2' | H2'1 | 55.3° | 58.8° |
| H1B | C1' | C2' | H2'2 | 68.0° | 61.4° |
| H1B | C1' | O5' | C5' | 177.6° | 172.3° |
| C3' | C2' | H2'1 | H2'2 | 116.3° | 120.2° |
| C2' | C3' | N3' | C4' | 121.0° | 119.4° |
| C2' | C3' | N3' | H3B | 117.2° | 120.3° |
| C2' | C3' | C4' | H3B | 120.7° | 119.8° |
| C2' | C3' | N3' | C7' | 177.4° | 60.3° |
| C2' | C3' | N3' | HN'1 | 63.3° | 59.7° |
| C2' | C3' | N3' | HN'2 | 53.1° | 179.7° |
| C2' | C3' | C4' | O4' | 70.8° | 66.4° |
| C2' | C3' | C4' | C5' | 55.8° | 53.4° |
| C2' | C3' | C4' | H4' | 168.5° | 173.4° |
| H2'1 | C2' | C3' | N3' | 54.0° | 66.7° |
| H2'1 | C2' | C3' | C4' | 178.7° | 173.5° |
| H2'1 | C2' | C3' | H3B | 61.4° | 53.7° |
| H2'2 | C2' | C3' | N3' | 65.1° | 53.6° |
| H2'2 | C2' | C3' | C4' | 59.6° | 66.3° |
| H2'2 | C2' | C3' | H3B | 179.5° | 173.9° |
| N3' | C3' | C4' | H3B | 121.0° | 120.3° |
| C3' | N3' | C7' | HN'1 | 116.0° | 120.0° |
| C3' | N3' | C7' | HN'2 | 125.4° | 120.1° |
| C3' | N3' | HN'1 | HN'2 | 116.5° | 120.1° |
| N3' | C3' | C4' | O4' | 47.4° | 53.5° |
| N3' | C3' | C4' | C5' | 174.0° | 173.3° |
| N3' | C3' | C4' | H4' | 73.3° | 66.7° |
| C3' | N3' | C7' | C8' | 163.1° | 180.0° |
| C3' | N3' | C7' | H7'1 | 77.4° | 59.9° |
| C3' | N3' | C7' | H7'2 | 36.7° | 60.0° |
| C4' | C3' | N3' | C7' | 56.3° | 179.7° |
| C4' | C3' | N3' | HN'1 | 175.6° | 59.7° |
| C4' | C3' | N3' | HN'2 | 67.9° | 60.3° |
| C3' | C4' | O4' | C5' | 124.4° | 119.5° |
| C3' | C4' | O4' | H4' | 117.9° | 120.4° |
| C3' | C4' | C5' | H4' | 112.7° | 120.1° |
| C3' | C4' | O4' | HO4' | 71.0° | 179.5° |
| C3' | C4' | C5' | O5' | 57.1° | 61.0° |
| C3' | C4' | C5' | C6' | 179.5° | 178.9° |
| C3' | C4' | C5' | H5' | 56.1° | 59.1° |
| H3B | C3' | N3' | C7' | 65.5° | 60.0° |
| H3B | C3' | N3' | HN'1 | 53.8° | 179.9° |
| H3B | C3' | N3' | HN'2 | 170.3° | 60.0° |
| H3B | C3' | C4' | O4' | 168.5° | 173.9° |
| H3B | C3' | C4' | C5' | 65.0° | 66.3° |
| H3B | C3' | C4' | H4' | 47.8° | 53.7° |
| C7' | N3' | HN'1 | HN'2 | 117.2° | 119.9° |
| N3' | C7' | C8' | H7'1 | 117.0° | 120.1° |
| N3' | C7' | C8' | H7'2 | 125.0° | 120.0° |
| N3' | C7' | H7'1 | H7'2 | 118.8° | 119.9° |
| N3' | C7' | C8' | C9A | 0.7° | 90.0° |
| N3' | C7' | C8' | C9B | 174.7° | 90.0° |
| HN'1 | N3' | C7' | C8' | 47.1° | 60.0° |
| HN'1 | N3' | C7' | H7'1 | 166.6° | 60.1° |
| HN'1 | N3' | C7' | H7'2 | 79.3° | 180.0° |
| HN'2 | N3' | C7' | C8' | 71.5° | 59.9° |
| HN'2 | N3' | C7' | H7'1 | 48.0° | 180.0° |
| HN'2 | N3' | C7' | H7'2 | 162.1° | 60.1° |
| O4' | C4' | C5' | H4' | 120.4° | 120.1° |
| O4' | C4' | C5' | O5' | 69.9° | 58.7° |
| O4' | C4' | C5' | C6' | 52.5° | 61.4° |
| O4' | C4' | C5' | H5' | 177.0° | 178.8° |
| C5' | C4' | O4' | HO4' | 53.4° | 60.0° |
| C4' | C5' | O5' | C6' | 124.7° | 120.1° |
| C4' | C5' | O5' | H5' | 112.2° | 120.0° |
| C4' | C5' | C6' | H5' | 119.4° | 119.7° |
| C4' | C5' | C6' | H6'1 | 62.4° | 179.5° |
| C4' | C5' | C6' | H6'2 | 179.1° | 60.4° |
| C4' | C5' | C6' | H6'3 | 57.9° | 59.6° |
| H4' | C4' | O4' | HO4' | 171.0° | 60.2° |
| H4' | C4' | C5' | O5' | 169.8° | 178.9° |
| H4' | C4' | C5' | C6' | 67.8° | 58.7° |
| H4' | C4' | C5' | H5' | 56.6° | 61.1° |
| O5' | C5' | C6' | H5' | 118.5° | 119.9° |
| O5' | C5' | C6' | H6'1 | 59.7° | 60.1° |
| O5' | C5' | C6' | H6'2 | 58.8° | 60.0° |
| O5' | C5' | C6' | H6'3 | 180.0° | 180.0° |
| C5' | C6' | H6'1 | H6'2 | 120.6° | 120.1° |
| C5' | C6' | H6'1 | H6'3 | 122.3° | 119.9° |
| C5' | C6' | H6'2 | H6'3 | 122.8° | 120.0° |
| H5' | C5' | C6' | H6'1 | 178.2° | 59.8° |
| H5' | C5' | C6' | H6'2 | 59.7° | 179.9° |
| H5' | C5' | C6' | H6'3 | 61.5° | 60.1° |
| H6'1 | C6' | H6'2 | H6'3 | 116.7° | 120.0° |
| C8' | C7' | H7'1 | H7'2 | 123.5° | 120.0° |
| C7' | C8' | C9A | C9B | 174.0° | 179.9° |
| C7' | C8' | C9A | C1A | 172.6° | 180.0° |
| C7' | C8' | C9A | H9A | 5.7° | 0.1° |
| C7' | C8' | C9B | C1C | 173.6° | 179.8° |
| C7' | C8' | C9B | H9B | 5.6° | 0.0° |
| H7'1 | C7' | C8' | C9A | 117.7° | 30.1° |
| H7'1 | C7' | C8' | C9B | 68.3° | 150.0° |
| H7'2 | C7' | C8' | C9A | 124.4° | 150.0° |
| H7'2 | C7' | C8' | C9B | 49.6° | 30.1° |
| C8' | C9A | C1A | H9A | 178.3° | 180.0° |
| C9A | C8' | C9B | C1C | 0.6° | 0.2° |
| C9A | C8' | C9B | H9B | 179.7° | 180.0° |
| C8' | C9A | C1A | C8D | 0.8° | 0.1° |
| C8' | C9A | C1A | H9A' | 178.2° | 180.0° |
| C9B | C8' | C9A | C1A | 1.4° | 0.0° |
| C9B | C8' | C9A | H9A | 179.7° | 180.0° |
| C8' | C9B | C1C | H9B | 179.0° | 179.8° |
| C8' | C9B | C1C | C8D | 0.8° | 0.5° |
| C8' | C9B | C1C | H9B' | 179.1° | 180.0° |
| C9A | C1A | C8D | C7D | 173.6° | 180.0° |
| C9A | C1A | C8D | H9A' | 179.1° | 179.9° |
| C9A | C1A | C8D | C1C | 0.6° | 0.4° |
| H9A | C9A | C1A | C8D | 179.1° | 179.9° |
| H9A | C9A | C1A | H9A' | 0.0° | 0.0° |
| C9B | C1C | C8D | C7D | 172.6° | 179.8° |
| C9B | C1C | C8D | C1A | 1.4° | 0.6° |
| C9B | C1C | C8D | H9B' | 178.3° | 179.5° |
| H9B | C9B | C1C | C8D | 178.2° | 179.7° |
| H9B | C9B | C1C | H9B' | 0.1° | 0.2° |
| C2B | C1B | CK' | H1' | 179.9° | 179.8° |
| C1B | C2B | C3B | H2' | 179.9° | 180.0° |
| C1B | C2B | C3B | C4B | 0.9° | 0.1° |
| C1B | C2B | C3B | H3' | 178.8° | 180.0° |
| C2B | C1B | CK' | C5B | 0.7° | 0.3° |
| C2B | C1B | CK' | CJ' | 176.1° | 180.0° |
| CK' | C1B | C2B | C3B | 0.9° | 0.1° |
| CK' | C1B | C2B | H2' | 179.2° | 180.0° |
| C1B | CK' | C5B | C4B | 1.4° | 0.5° |
| C1B | CK' | C5B | C6B | 173.9° | 179.8° |
| C1B | CK' | C5B | CJ' | 176.7° | 179.7° |
| C1B | CK' | CJ' | CI' | 175.4° | 166.2° |
| C1B | CK' | CJ' | OJ' | 1.7° | 13.8° |
| H1' | C1B | C2B | C3B | 179.1° | 179.9° |
| H1' | C1B | C2B | H2' | 0.7° | 0.1° |
| H1' | C1B | CK' | C5B | 179.4° | 179.9° |
| H1' | C1B | CK' | CJ' | 3.8° | 0.1° |
| C2B | C3B | C4B | H3' | 179.7° | 179.9° |
| C2B | C3B | C4B | O4B | 175.1° | 180.0° |
| C2B | C3B | C4B | C5B | 2.9° | 0.3° |
| H2' | C2B | C3B | C4B | 179.0° | 180.0° |
| H2' | C2B | C3B | H3' | 1.3° | 0.0° |
| C3B | C4B | O4B | C5B | 178.0° | 179.7° |
| C3B | C4B | O4B | CL' | 8.2° | 0.0° |
| C3B | C4B | C5B | C6B | 172.1° | 179.8° |
| C3B | C4B | C5B | CK' | 3.2° | 0.6° |
| H3' | C3B | C4B | O4B | 5.2° | 0.0° |
| H3' | C3B | C4B | C5B | 176.7° | 179.7° |
| O4B | C4B | C5B | C6B | 9.9° | 0.5° |
| O4B | C4B | C5B | CK' | 174.9° | 179.8° |
| C4B | O4B | CL' | HI'1 | 60.0° | 180.0° |
| C4B | O4B | CL' | HI'2 | 61.9° | 60.0° |
| C4B | O4B | CL' | HI'3 | 179.1° | 60.0° |
| C5B | C4B | O4B | CL' | 173.8° | 179.7° |
| C4B | C5B | C6B | CK' | 175.3° | 179.3° |
| C4B | C5B | C6B | O6' | 1.6° | 13.2° |
| C4B | C5B | C6B | C7B | 176.0° | 166.5° |
| C4B | C5B | CK' | CJ' | 178.1° | 179.7° |
| O4B | CL' | HI'1 | HI'2 | 122.1° | 120.0° |
| O4B | CL' | HI'1 | HI'3 | 118.6° | 120.0° |
| O4B | CL' | HI'2 | HI'3 | 118.7° | 120.0° |
| C5B | C6B | O6' | C7B | 177.6° | 179.7° |
| C5B | C6B | C7B | C8B | 175.0° | 165.9° |
| C5B | C6B | C7B | CI' | 3.0° | 14.0° |
| C6B | C5B | CK' | CJ' | 2.8° | 0.4° |
| CK' | C5B | C6B | O6' | 176.8° | 166.0° |
| CK' | C5B | C6B | C7B | 0.8° | 14.2° |
| C5B | CK' | CJ' | CI' | 1.3° | 13.6° |
| C5B | CK' | CJ' | OJ' | 178.4° | 166.5° |
| O6' | C6B | C7B | C8B | 2.7° | 13.8° |
| O6' | C6B | C7B | CI' | 179.4° | 166.3° |
| C6B | C7B | C8B | CI' | 177.9° | 179.9° |
| C6B | C7B | C8B | O8' | 4.4° | 0.2° |
| C6B | C7B | C8B | C9' | 178.9° | 179.8° |
| C6B | C7B | CI' | CH' | 179.0° | 180.0° |
| C6B | C7B | CI' | CJ' | 4.5° | 0.0° |
| C7B | C8B | O8' | C9' | 176.7° | 180.0° |
| C7B | C8B | O8' | HO8' | 55.3° | 85.4° |
| C7B | C8B | C9' | CA' | 179.1° | 179.7° |
| C7B | C8B | C9' | CG' | 1.6° | 0.4° |
| C8B | C7B | CI' | CH' | 3.1° | 0.1° |
| C8B | C7B | CI' | CJ' | 173.5° | 179.9° |
| CI' | C7B | C8B | O8' | 177.6° | 179.9° |
| CI' | C7B | C8B | C9' | 1.0° | 0.1° |
| C7B | CI' | CH' | CG' | 2.6° | 0.1° |
| C7B | CI' | CH' | OH' | 174.0° | 179.9° |
| C7B | CI' | CH' | CJ' | 176.5° | 180.0° |
| C7B | CI' | CJ' | OJ' | 174.7° | 166.3° |
| C7B | CI' | CJ' | CK' | 2.4° | 13.8° |
| O8' | C8B | C9' | CA' | 4.2° | 0.3° |
| O8' | C8B | C9' | CG' | 175.1° | 179.7° |
| C9' | C8B | O8' | HO8' | 121.4° | 94.6° |
| C8B | C9' | CA' | CG' | 179.3° | 180.0° |
| C8B | C9' | CA' | OA' | 68.4° | 42.1° |
| C8B | C9' | CA' | CB' | 160.5° | 162.4° |
| C8B | C9' | CA' | H10' | 43.6° | 77.3° |
| C8B | C9' | CG' | CF' | 175.0° | 179.5° |
| C8B | C9' | CG' | CH' | 2.1° | 0.3° |
| C9' | CA' | OA' | CB' | 131.0° | 121.3° |
| C9' | CA' | OA' | H10' | 112.5° | 119.3° |
| C9' | CA' | CB' | H10' | 116.3° | 120.3° |
| C9' | CA' | OA' | C1D | 117.5° | 127.2° |
| C9' | CA' | CB' | CC' | 47.0° | 51.0° |
| C9' | CA' | CB' | HL'1 | 163.5° | 68.7° |
| C9' | CA' | CB' | HL'2 | 77.1° | 170.7° |
| CA' | C9' | CG' | CF' | 4.2° | 0.5° |
| CA' | C9' | CG' | CH' | 178.6° | 179.7° |
| CG' | C9' | CA' | OA' | 112.4° | 137.9° |
| CG' | C9' | CA' | CB' | 18.8° | 17.5° |
| CG' | C9' | CA' | H10' | 135.7° | 102.8° |
| C9' | CG' | CF' | CC' | 17.4° | 17.7° |
| C9' | CG' | CF' | CH' | 177.1° | 179.8° |
| C9' | CG' | CF' | HJ'1 | 140.6° | 102.6° |
| C9' | CG' | CF' | HJ'2 | 105.4° | 138.0° |
| C9' | CG' | CH' | OH' | 176.7° | 179.9° |
| C9' | CG' | CH' | CI' | 0.0° | 0.1° |
| OA' | CA' | CB' | H10' | 115.3° | 119.4° |
| OA' | CA' | CB' | CC' | 81.4° | 171.3° |
| OA' | CA' | CB' | HL'1 | 35.1° | 51.6° |
| OA' | CA' | CB' | HL'2 | 154.5° | 69.0° |
| CA' | OA' | C1D | C2D | 157.9° | 168.7° |
| CA' | OA' | C1D | O5D | 79.4° | 71.0° |
| CA' | OA' | C1D | H1D | 42.2° | 48.8° |
| CB' | CA' | OA' | C1D | 111.5° | 111.6° |
| CA' | CB' | CC' | HL'1 | 115.9° | 119.6° |
| CA' | CB' | CC' | HL'2 | 122.2° | 119.8° |
| CA' | CB' | HL'1 | HL'2 | 117.4° | 120.6° |
| CA' | CB' | CC' | OC' | 65.7° | 170.5° |
| CA' | CB' | CC' | CD' | 176.4° | 49.9° |
| CA' | CB' | CC' | CF' | 58.2° | 69.7° |
| H10' | CA' | OA' | C1D | 5.0° | 7.9° |
| H10' | CA' | CB' | CC' | 163.3° | 69.3° |
| H10' | CA' | CB' | HL'1 | 80.2° | 171.1° |
| H10' | CA' | CB' | HL'2 | 39.2° | 50.5° |
| OA' | C1D | C2D | O5D | 122.9° | 120.1° |
| OA' | C1D | C2D | H1D | 118.7° | 119.9° |
| OA' | C1D | O5D | H1D | 120.6° | 119.8° |
| OA' | C1D | C2D | C3D | 59.2° | 58.9° |
| OA' | C1D | C2D | H2B | 63.3° | 178.8° |
| OA' | C1D | C2D | H2D | 173.5° | 61.0° |
| OA' | C1D | O5D | C5D | 57.5° | 52.5° |
| CC' | CB' | HL'1 | HL'2 | 122.2° | 120.6° |
| CB' | CC' | OC' | CD' | 118.2° | 120.6° |
| CB' | CC' | OC' | CF' | 121.1° | 118.9° |
| CB' | CC' | CD' | CF' | 118.0° | 118.8° |
| CB' | CC' | OC' | H12' | 112.6° | 178.8° |
| CB' | CC' | CD' | OD' | 112.9° | 94.0° |
| CB' | CC' | CD' | CE' | 63.0° | 86.1° |
| CB' | CC' | CF' | CG' | 43.3° | 51.1° |
| CB' | CC' | CF' | HJ'1 | 166.8° | 69.2° |
| CB' | CC' | CF' | HJ'2 | 78.0° | 171.4° |
| HL'1 | CB' | CC' | OC' | 50.2° | 69.8° |
| HL'1 | CB' | CC' | CD' | 67.8° | 169.6° |
| HL'1 | CB' | CC' | CF' | 174.0° | 49.9° |
| HL'2 | CB' | CC' | OC' | 172.2° | 50.8° |
| HL'2 | CB' | CC' | CD' | 54.2° | 69.8° |
| HL'2 | CB' | CC' | CF' | 64.0° | 170.5° |
| OC' | CC' | CD' | CF' | 123.4° | 120.6° |
| OC' | CC' | CD' | OD' | 128.5° | 145.4° |
| OC' | CC' | CD' | CE' | 55.6° | 34.5° |
| OC' | CC' | CF' | CG' | 78.3° | 170.8° |
| OC' | CC' | CF' | HJ'1 | 45.2° | 50.6° |
| OC' | CC' | CF' | HJ'2 | 160.4° | 68.8° |
| CD' | CC' | OC' | H12' | 129.3° | 60.6° |
| CC' | CD' | OD' | CE' | 176.0° | 179.9° |
| CC' | CD' | CE' | HK'1 | 59.9° | 180.0° |
| CC' | CD' | CE' | HK'2 | 63.1° | 60.0° |
| CC' | CD' | CE' | HK'3 | 178.7° | 60.0° |
| CD' | CC' | CF' | CG' | 161.3° | 68.6° |
| CD' | CC' | CF' | HJ'1 | 75.2° | 171.2° |
| CD' | CC' | CF' | HJ'2 | 40.0° | 51.7° |
| CF' | CC' | OC' | H12' | 8.5° | 60.0° |
| CF' | CC' | CD' | OD' | 5.1° | 24.8° |
| CF' | CC' | CD' | CE' | 179.0° | 155.1° |
| CC' | CF' | CG' | HJ'1 | 123.2° | 120.3° |
| CC' | CF' | CG' | HJ'2 | 122.8° | 120.3° |
| CC' | CF' | HJ'1 | HJ'2 | 117.9° | 119.4° |
| CC' | CF' | CG' | CH' | 165.5° | 162.4° |
| OD' | CD' | CE' | HK'1 | 124.1° | 0.1° |
| OD' | CD' | CE' | HK'2 | 112.9° | 120.1° |
| OD' | CD' | CE' | HK'3 | 5.3° | 119.9° |
| CD' | CE' | HK'1 | HK'2 | 122.7° | 120.0° |
| CD' | CE' | HK'1 | HK'3 | 118.3° | 119.9° |
| CD' | CE' | HK'2 | HK'3 | 118.0° | 120.0° |
| HK'1 | CE' | HK'2 | HK'3 | 119.3° | 120.0° |
| CG' | CF' | HJ'1 | HJ'2 | 114.8° | 119.5° |
| CF' | CG' | CH' | OH' | 0.5° | 0.3° |
| CF' | CG' | CH' | CI' | 177.2° | 179.7° |
| HJ'1 | CF' | CG' | CH' | 42.2° | 77.3° |
| HJ'2 | CF' | CG' | CH' | 71.7° | 42.2° |
| CG' | CH' | OH' | CI' | 176.7° | 180.0° |
| CG' | CH' | OH' | H17' | 174.1° | 90.0° |
| CG' | CH' | CI' | CJ' | 173.9° | 179.9° |
| OH' | CH' | CI' | CJ' | 9.5° | 0.1° |
| CI' | CH' | OH' | H17' | 9.2° | 90.0° |
| CH' | CI' | CJ' | OJ' | 1.9° | 13.7° |
| CH' | CI' | CJ' | CK' | 179.0° | 166.2° |
| CI' | CJ' | OJ' | CK' | 177.1° | 179.9° |
| HI'1 | CL' | HI'2 | HI'3 | 119.3° | 120.0° |
| C2D | C1D | O5D | H1D | 114.1° | 120.1° |
| C1D | C2D | C3D | H2B | 123.0° | 119.9° |
| C1D | C2D | C3D | H2D | 117.9° | 119.9° |
| C1D | C2D | H2B | H2D | 123.6° | 120.2° |
| C1D | C2D | C3D | N3D | 177.0° | 173.6° |
| C1D | C2D | C3D | C4D | 58.1° | 53.7° |
| C1D | C2D | C3D | H3D | 63.2° | 66.0° |
| C2D | C1D | O5D | C5D | 67.7° | 67.6° |
| O5D | C1D | C2D | C3D | 63.7° | 61.2° |
| O5D | C1D | C2D | H2B | 173.8° | 58.7° |
| O5D | C1D | C2D | H2D | 50.7° | 178.9° |
| C1D | O5D | C5D | C4D | 63.4° | 67.7° |
| C1D | O5D | C5D | C6D | 171.9° | 172.3° |
| C1D | O5D | C5D | H5D | 48.5° | 52.5° |
| H1D | C1D | C2D | C3D | 177.9° | 178.7° |
| H1D | C1D | C2D | H2B | 55.4° | 61.4° |
| H1D | C1D | C2D | H2D | 67.8° | 58.8° |
| H1D | C1D | O5D | C5D | 178.1° | 172.3° |
| C3D | C2D | H2B | H2D | 116.4° | 120.2° |
| C2D | C3D | N3D | C4D | 121.1° | 119.3° |
| C2D | C3D | N3D | H3D | 116.7° | 120.3° |
| C2D | C3D | C4D | H3D | 121.5° | 119.7° |
| C2D | C3D | N3D | C7D | 177.4° | 60.0° |
| C2D | C3D | N3D | HNB | 63.5° | 180.0° |
| C2D | C3D | N3D | HND | 53.0° | 60.1° |
| C2D | C3D | C4D | O4D | 70.9° | 66.3° |
| C2D | C3D | C4D | C5D | 55.6° | 53.8° |
| C2D | C3D | C4D | H4D | 168.6° | 173.5° |
| H2B | C2D | C3D | N3D | 54.0° | 53.8° |
| H2B | C2D | C3D | C4D | 178.9° | 66.2° |
| H2B | C2D | C3D | H3D | 59.8° | 174.1° |
| H2D | C2D | C3D | N3D | 65.1° | 66.4° |
| H2D | C2D | C3D | C4D | 59.8° | 173.6° |
| H2D | C2D | C3D | H3D | 178.9° | 53.9° |
| N3D | C3D | C4D | H3D | 120.0° | 120.4° |
| C3D | N3D | C7D | HNB | 115.7° | 120.0° |
| C3D | N3D | C7D | HND | 125.5° | 120.1° |
| C3D | N3D | HNB | HND | 116.4° | 120.0° |
| N3D | C3D | C4D | O4D | 47.5° | 53.6° |
| N3D | C3D | C4D | C5D | 174.1° | 173.6° |
| N3D | C3D | C4D | H4D | 72.9° | 66.6° |
| C3D | N3D | C7D | C8D | 162.9° | 180.0° |
| C3D | N3D | C7D | H7B | 77.6° | 60.0° |
| C3D | N3D | C7D | H7D | 36.2° | 60.0° |
| C4D | C3D | N3D | C7D | 56.3° | 179.3° |
| C4D | C3D | N3D | HNB | 175.4° | 60.7° |
| C4D | C3D | N3D | HND | 68.2° | 59.2° |
| C3D | C4D | O4D | C5D | 124.6° | 119.6° |
| C3D | C4D | O4D | H4D | 117.8° | 120.2° |
| C3D | C4D | C5D | H4D | 112.9° | 119.8° |
| C3D | C4D | O4D | HO4A | 71.0° | 180.0° |
| C3D | C4D | C5D | O5D | 57.0° | 61.3° |
| C3D | C4D | C5D | C6D | 179.9° | 178.7° |
| C3D | C4D | C5D | H5D | 55.8° | 58.8° |
| H3D | C3D | N3D | C7D | 65.9° | 60.3° |
| H3D | C3D | N3D | HNB | 53.2° | 59.7° |
| H3D | C3D | N3D | HND | 169.7° | 179.6° |
| H3D | C3D | C4D | O4D | 167.6° | 174.0° |
| H3D | C3D | C4D | C5D | 65.9° | 66.0° |
| H3D | C3D | C4D | H4D | 47.1° | 53.8° |
| C7D | N3D | HNB | HND | 117.4° | 120.0° |
| N3D | C7D | C8D | H7B | 117.0° | 120.0° |
| N3D | C7D | C8D | H7D | 125.3° | 120.0° |
| N3D | C7D | H7B | H7D | 118.8° | 120.0° |
| N3D | C7D | C8D | C1A | 174.7° | 90.0° |
| N3D | C7D | C8D | C1C | 0.7° | 90.3° |
| HNB | N3D | C7D | C8D | 47.1° | 60.0° |
| HNB | N3D | C7D | H7B | 166.7° | 180.0° |
| HNB | N3D | C7D | H7D | 79.6° | 60.0° |
| HND | N3D | C7D | C8D | 71.7° | 59.9° |
| HND | N3D | C7D | H7B | 47.9° | 60.1° |
| HND | N3D | C7D | H7D | 161.6° | 179.9° |
| O4D | C4D | C5D | H4D | 120.2° | 120.2° |
| O4D | C4D | C5D | O5D | 69.9° | 58.6° |
| O4D | C4D | C5D | C6D | 53.2° | 61.4° |
| O4D | C4D | C5D | H5D | 177.3° | 178.7° |
| C5D | C4D | O4D | HO4A | 53.6° | 60.4° |
| C4D | C5D | O5D | C6D | 124.7° | 120.0° |
| C4D | C5D | O5D | H5D | 111.9° | 120.2° |
| C4D | C5D | C6D | H5D | 119.0° | 120.0° |
| C4D | C5D | C6D | H6B | 62.2° | 60.0° |
| C4D | C5D | C6D | H6D | 178.5° | 179.9° |
| C4D | C5D | C6D | H6E | 57.7° | 60.0° |
| H4D | C4D | O4D | HO4A | 171.2° | 59.8° |
| H4D | C4D | C5D | O5D | 169.9° | 178.9° |
| H4D | C4D | C5D | C6D | 67.0° | 58.9° |
| H4D | C4D | C5D | H5D | 57.1° | 61.0° |
| O5D | C5D | C6D | H5D | 118.7° | 119.8° |
| O5D | C5D | C6D | H6B | 60.1° | 179.8° |
| O5D | C5D | C6D | H6D | 59.2° | 59.7° |
| O5D | C5D | C6D | H6E | 179.9° | 60.2° |
| C5D | C6D | H6B | H6D | 121.6° | 120.0° |
| C5D | C6D | H6B | H6E | 122.8° | 120.0° |
| C5D | C6D | H6D | H6E | 123.4° | 120.0° |
| H5D | C5D | C6D | H6B | 178.8° | 59.9° |
| H5D | C5D | C6D | H6D | 59.5° | 60.1° |
| H5D | C5D | C6D | H6E | 61.3° | 179.9° |
| H6B | C6D | H6D | H6E | 115.2° | 119.9° |
| C8D | C7D | H7B | H7D | 123.6° | 120.0° |
| C7D | C8D | C1A | C1C | 174.2° | 179.7° |
| C7D | C8D | C1A | H9A' | 5.6° | 0.1° |
| C7D | C8D | C1C | H9B' | 5.7° | 0.2° |
| H7B | C7D | C8D | C1A | 68.3° | 30.0° |
| H7B | C7D | C8D | C1C | 117.7° | 149.7° |
| H7D | C7D | C8D | C1A | 49.3° | 150.0° |
| H7D | C7D | C8D | C1C | 124.7° | 29.7° |
| C1A | C8D | C1C | H9B' | 179.7° | 179.9° |
| C1C | C8D | C1A | H9A' | 179.7° | 179.7° |
