BNR
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 | 1.06Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.07Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.07Å | |
| C4 | O4 | sing | 1.36Å | 1.35Å | |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C5 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C18 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | O8 | sing | 1.36Å | 1.43Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| O8 | HO8 | sing | 0.97Å | 0.96Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C10 | O10 | sing | 1.43Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H10 | sing | 1.09Å | 1.09Å | |
| O10 | C1' | sing | 1.43Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| 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 | 1.54Å | |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| O12 | H12 | sing | 0.97Å | 0.96Å | |
| 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 | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| 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 | 1.24Å | |
| 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 | 1.54Å | |
| C1' | O5' | sing | 1.43Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.08Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.08Å | |
| C2' | H2'2 | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.09Å | |
| O3' | HO3' | sing | 0.97Å | 0.96Å | |
| C4' | N4' | sing | 1.47Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.07Å | |
| N4' | C7' | sing | 1.47Å | 1.45Å | |
| N4' | HN'1 | sing | 1.01Å | 1.04Å | |
| N4' | HN'2 | sing | 1.01Å | 1.04Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | C6' | sing | 1.53Å | 1.56Å | |
| 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 | 1.50Å | |
| C7' | H7'1 | sing | 1.09Å | 1.08Å | |
| C7' | H7'2 | sing | 1.09Å | 1.08Å | |
| C8' | C9A | doub | 1.38Å | 1.39Å | Aromatic |
| C8' | C9B | sing | 1.38Å | 1.39Å | Aromatic |
| C1B | C2B | doub | 1.39Å | 1.40Å | Aromatic |
| C1B | CK' | sing | 1.39Å | 1.40Å | Aromatic |
| C1B | H1B | 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 | 1.39Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.07Å | |
| C4B | O4' | sing | 1.36Å | 1.35Å | |
| C4B | C5B | sing | 1.40Å | 1.40Å | Aromatic |
| O4' | CL' | sing | 1.43Å | 1.43Å | |
| C5B | C6B | sing | 1.48Å | 1.47Å | |
| C5B | CK' | doub | 1.41Å | 1.40Å | Aromatic |
| C6B | O6' | doub | 1.22Å | 1.24Å | |
| C6B | C7B | sing | 1.47Å | 1.48Å | |
| C7B | C8B | sing | 1.39Å | 1.39Å | Aromatic |
| C7B | CI' | doub | 1.41Å | 1.40Å | Aromatic |
| C8B | O8' | sing | 1.35Å | 1.43Å | |
| C8B | C9' | doub | 1.40Å | 1.39Å | Aromatic |
| O8' | HO8' | sing | 0.97Å | 0.96Å | |
| C9' | CA' | sing | 1.51Å | 1.53Å | |
| C9' | CG' | sing | 1.37Å | 1.40Å | Aromatic |
| CA' | OA' | sing | 1.43Å | 1.45Å | |
| CA' | CB' | sing | 1.53Å | 1.57Å | |
| CA' | H10' | sing | 1.09Å | 1.10Å | |
| OA' | C1D | sing | 1.43Å | 1.44Å | |
| CB' | CC' | sing | 1.53Å | 1.56Å | |
| CB' | HL'1 | sing | 1.09Å | 1.10Å | |
| CB' | HL'2 | sing | 1.09Å | 1.08Å | |
| CC' | OC' | sing | 1.43Å | 1.43Å | |
| CC' | CD' | sing | 1.51Å | 1.53Å | |
| CC' | CF' | sing | 1.53Å | 1.55Å | |
| OC' | H12' | sing | 0.97Å | 0.96Å | |
| CD' | OD' | doub | 1.21Å | 1.24Å | |
| CD' | CE' | sing | 1.51Å | 1.54Å | |
| 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 | 1.56Å | |
| CF' | HJ'1 | sing | 1.09Å | 1.09Å | |
| CF' | HJ'2 | sing | 1.09Å | 1.10Å | |
| CG' | CH' | doub | 1.40Å | 1.40Å | Aromatic |
| CH' | OH' | sing | 1.36Å | 1.43Å | |
| CH' | CI' | sing | 1.39Å | 1.41Å | Aromatic |
| OH' | H17' | sing | 0.97Å | 0.96Å | |
| CI' | CJ' | sing | 1.47Å | 1.48Å | |
| CJ' | OJ' | doub | 1.22Å | 1.24Å | |
| 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 | 1.56Å | |
| C1D | O5D | sing | 1.43Å | 1.45Å | |
| C1D | H1D | sing | 1.09Å | 1.08Å | |
| C2D | C3D | sing | 1.53Å | 1.53Å | |
| C2D | H2B | sing | 1.09Å | 1.10Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C3D | O3D | sing | 1.43Å | 1.43Å | |
| C3D | C4D | sing | 1.53Å | 1.54Å | |
| C3D | H3D | sing | 1.09Å | 1.09Å | |
| O3D | HO3A | sing | 0.97Å | 0.96Å | |
| C4D | N4D | sing | 1.47Å | 1.47Å | |
| C4D | C5D | sing | 1.53Å | 1.53Å | |
| C4D | H4D | sing | 1.09Å | 1.07Å | |
| N4D | C7D | sing | 1.47Å | 1.47Å | |
| N4D | HNB | sing | 1.01Å | 1.04Å | |
| N4D | HND | sing | 1.01Å | 1.04Å | |
| C5D | O5D | sing | 1.43Å | 1.45Å | |
| C5D | C6D | sing | 1.53Å | 1.56Å | |
| 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 | 1.50Å | |
| C7D | H7B | sing | 1.09Å | 1.08Å | |
| C7D | H7D | sing | 1.09Å | 1.08Å | |
| C8D | C1A | doub | 1.38Å | 1.38Å | Aromatic |
| C8D | C1C | sing | 1.38Å | 1.39Å | Aromatic |
| C9A | C1A | sing | 1.38Å | 1.38Å | Aromatic |
| C9A | H9A | sing | 1.08Å | 1.07Å | |
| C9B | C1C | doub | 1.38Å | 1.39Å | Aromatic |
| C9B | H9B | sing | 1.08Å | 1.06Å | |
| C1A | H9A' | sing | 1.08Å | 1.05Å | |
| C1C | H9B' | sing | 1.08Å | 1.07Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C20 | 120.6° | 120.0° |
| C2 | C1 | H1 | 118.6° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.6° |
| C1 | C2 | H2 | 120.5° | 119.8° |
| C20 | C1 | H1 | 120.7° | 120.0° |
| C1 | C20 | C5 | 119.6° | 119.8° |
| C1 | C20 | C19 | 119.9° | 120.6° |
| C3 | C2 | H2 | 119.5° | 119.7° |
| C2 | C3 | C4 | 120.2° | 120.4° |
| C2 | C3 | H3 | 119.1° | 119.8° |
| C4 | C3 | H3 | 120.7° | 119.8° |
| C3 | C4 | O4 | 117.2° | 120.2° |
| C3 | C4 | C5 | 119.9° | 119.6° |
| O4 | C4 | C5 | 122.8° | 120.2° |
| C4 | O4 | C21 | 119.0° | 106.8° |
| C4 | C5 | C6 | 121.2° | 120.6° |
| C4 | C5 | C20 | 119.5° | 119.6° |
| O4 | C21 | H211 | 110.3° | 109.5° |
| O4 | C21 | H212 | 110.5° | 109.4° |
| O4 | C21 | H213 | 109.4° | 109.5° |
| C6 | C5 | C20 | 119.2° | 119.8° |
| C5 | C6 | O6 | 120.0° | 120.5° |
| C5 | C6 | C7 | 120.4° | 119.2° |
| C5 | C20 | C19 | 120.4° | 119.6° |
| O6 | C6 | C7 | 119.5° | 120.4° |
| C6 | C7 | C8 | 120.5° | 120.9° |
| C6 | C7 | C18 | 120.1° | 119.7° |
| C8 | C7 | C18 | 119.4° | 119.4° |
| C7 | C8 | O8 | 121.2° | 119.8° |
| C7 | C8 | C9 | 120.8° | 120.5° |
| C7 | C18 | C17 | 119.7° | 119.4° |
| C7 | C18 | C19 | 119.4° | 119.7° |
| O8 | C8 | C9 | 117.6° | 119.8° |
| C8 | O8 | HO8 | 106.5° | 106.8° |
| C8 | C9 | C10 | 118.9° | 117.4° |
| C8 | C9 | C16 | 119.8° | 120.1° |
| C10 | C9 | C16 | 121.3° | 122.5° |
| C9 | C10 | O10 | 111.0° | 109.2° |
| C9 | C10 | C11 | 116.9° | 110.7° |
| C9 | C10 | H10 | 102.2° | 109.2° |
| C9 | C16 | C15 | 120.4° | 122.6° |
| C9 | C16 | C17 | 119.6° | 120.1° |
| O10 | C10 | C11 | 106.2° | 109.3° |
| O10 | C10 | H10 | 108.5° | 109.2° |
| C10 | O10 | C1' | 114.6° | 106.8° |
| C11 | C10 | H10 | 112.0° | 109.3° |
| C10 | C11 | C12 | 111.2° | 108.3° |
| C10 | C11 | H111 | 114.5° | 109.7° |
| C10 | C11 | H112 | 105.5° | 109.7° |
| O10 | C1' | C2' | 110.4° | 109.5° |
| O10 | C1' | O5' | 116.2° | 109.4° |
| O10 | C1' | H1' | 104.5° | 109.4° |
| C12 | C11 | H111 | 113.2° | 109.6° |
| C12 | C11 | H112 | 107.8° | 109.7° |
| C11 | C12 | O12 | 111.9° | 109.7° |
| C11 | C12 | C13 | 106.8° | 109.7° |
| C11 | C12 | C15 | 110.2° | 108.3° |
| H111 | C11 | H112 | 103.7° | 109.7° |
| O12 | C12 | C13 | 108.1° | 109.7° |
| O12 | C12 | C15 | 111.3° | 109.7° |
| C12 | O12 | H12 | 107.1° | 106.8° |
| C13 | C12 | C15 | 108.3° | 109.7° |
| C12 | C13 | O13 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C15 | C16 | 114.1° | 110.7° |
| C12 | C15 | H151 | 106.4° | 109.2° |
| C12 | C15 | H152 | 111.0° | 109.3° |
| O13 | C13 | C14 | 119.5° | 120.0° |
| C13 | C14 | H141 | 109.2° | 109.4° |
| C13 | C14 | H142 | 109.2° | 109.4° |
| C13 | C14 | H143 | 108.9° | 109.5° |
| H141 | C14 | H142 | 109.9° | 109.5° |
| H141 | C14 | H143 | 110.0° | 109.5° |
| H142 | C14 | H143 | 109.4° | 109.4° |
| C16 | C15 | H151 | 107.3° | 109.2° |
| C16 | C15 | H152 | 108.0° | 109.3° |
| C15 | C16 | C17 | 120.1° | 117.3° |
| H151 | C15 | H152 | 109.9° | 109.2° |
| C16 | C17 | O17 | 118.3° | 119.7° |
| C16 | C17 | C18 | 120.5° | 120.4° |
| O17 | C17 | C18 | 121.2° | 119.8° |
| C17 | O17 | H17 | 107.9° | 106.8° |
| C17 | C18 | C19 | 120.8° | 120.9° |
| C18 | C19 | O19 | 120.0° | 120.4° |
| C18 | C19 | C20 | 120.3° | 119.2° |
| O19 | C19 | C20 | 119.6° | 120.4° |
| H211 | C21 | H212 | 108.3° | 109.4° |
| H211 | C21 | H213 | 109.1° | 109.5° |
| H212 | C21 | H213 | 109.2° | 109.4° |
| C2' | C1' | O5' | 115.4° | 109.7° |
| C2' | C1' | H1' | 104.8° | 109.4° |
| C1' | C2' | C3' | 110.2° | 109.0° |
| C1' | C2' | H2'1 | 108.4° | 109.5° |
| C1' | C2' | H2'2 | 111.4° | 109.5° |
| O5' | C1' | H1' | 103.9° | 109.4° |
| C1' | O5' | C5' | 118.3° | 107.6° |
| C3' | C2' | H2'1 | 103.4° | 109.6° |
| C3' | C2' | H2'2 | 115.5° | 109.6° |
| C2' | C3' | O3' | 112.6° | 109.6° |
| C2' | C3' | C4' | 109.8° | 108.7° |
| C2' | C3' | H3' | 110.8° | 109.6° |
| H2'1 | C2' | H2'2 | 107.4° | 109.6° |
| O3' | C3' | C4' | 111.0° | 109.7° |
| O3' | C3' | H3' | 106.0° | 109.6° |
| C3' | O3' | HO3' | 104.7° | 106.8° |
| C4' | C3' | H3' | 106.5° | 109.6° |
| C3' | C4' | N4' | 112.4° | 109.6° |
| C3' | C4' | C5' | 109.5° | 109.0° |
| C3' | C4' | H4' | 105.7° | 109.5° |
| N4' | C4' | C5' | 114.0° | 109.6° |
| N4' | C4' | H4' | 110.7° | 109.5° |
| C4' | N4' | C7' | 112.8° | 109.5° |
| C4' | N4' | HN'1 | 109.6° | 109.5° |
| C4' | N4' | HN'2 | 110.6° | 109.5° |
| C5' | C4' | H4' | 103.9° | 109.6° |
| C4' | C5' | O5' | 108.4° | 109.7° |
| C4' | C5' | C6' | 111.2° | 109.4° |
| C4' | C5' | H5' | 104.7° | 109.4° |
| C7' | N4' | HN'1 | 106.5° | 109.4° |
| C7' | N4' | HN'2 | 109.8° | 109.4° |
| N4' | C7' | C8' | 110.8° | 109.5° |
| N4' | C7' | H7'1 | 110.0° | 109.5° |
| N4' | C7' | H7'2 | 114.1° | 109.4° |
| HN'1 | N4' | HN'2 | 107.3° | 109.4° |
| O5' | C5' | C6' | 110.9° | 109.4° |
| O5' | C5' | H5' | 111.6° | 109.4° |
| C6' | C5' | H5' | 109.9° | 109.4° |
| C5' | C6' | H6'1 | 111.1° | 109.4° |
| C5' | C6' | H6'2 | 111.5° | 109.4° |
| C5' | C6' | H6'3 | 111.1° | 109.5° |
| H6'1 | C6' | H6'2 | 107.5° | 109.5° |
| H6'1 | C6' | H6'3 | 107.1° | 109.5° |
| H6'2 | C6' | H6'3 | 108.3° | 109.5° |
| C8' | C7' | H7'1 | 103.2° | 109.5° |
| C8' | C7' | H7'2 | 108.5° | 109.4° |
| C7' | C8' | C9A | 119.7° | 120.0° |
| C7' | C8' | C9B | 119.6° | 120.0° |
| H7'1 | C7' | H7'2 | 109.7° | 109.5° |
| C9A | C8' | C9B | 120.5° | 120.0° |
| C8' | C9A | C1A | 118.7° | 120.0° |
| C8' | C9A | H9A | 121.0° | 120.0° |
| C8' | C9B | C1C | 119.6° | 120.0° |
| C8' | C9B | H9B | 118.5° | 120.0° |
| C2B | C1B | CK' | 120.2° | 119.9° |
| C2B | C1B | H1B | 120.1° | 120.0° |
| C1B | C2B | C3B | 119.9° | 120.6° |
| C1B | C2B | H2' | 121.7° | 119.7° |
| CK' | C1B | H1B | 119.7° | 120.1° |
| C1B | CK' | C5B | 119.4° | 119.8° |
| C1B | CK' | CJ' | 120.5° | 120.6° |
| C3B | C2B | H2' | 118.4° | 119.7° |
| C2B | C3B | C4B | 119.9° | 120.4° |
| C2B | C3B | H3B | 121.0° | 119.9° |
| C4B | C3B | H3B | 119.1° | 119.8° |
| C3B | C4B | O4' | 118.4° | 120.2° |
| C3B | C4B | C5B | 119.8° | 119.6° |
| O4' | C4B | C5B | 121.0° | 120.2° |
| C4B | O4' | CL' | 119.8° | 106.8° |
| C4B | C5B | C6B | 120.5° | 120.6° |
| C4B | C5B | CK' | 119.8° | 119.7° |
| O4' | CL' | HI'1 | 109.0° | 109.5° |
| O4' | CL' | HI'2 | 110.3° | 109.4° |
| O4' | CL' | HI'3 | 108.9° | 109.4° |
| C6B | C5B | CK' | 119.5° | 119.7° |
| C5B | C6B | O6' | 119.7° | 120.4° |
| C5B | C6B | C7B | 120.1° | 119.2° |
| C5B | CK' | CJ' | 120.0° | 119.6° |
| O6' | C6B | C7B | 120.2° | 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' | 120.7° | 119.8° |
| C7B | C8B | C9' | 120.6° | 120.4° |
| C7B | CI' | CH' | 119.7° | 119.4° |
| C7B | CI' | CJ' | 119.1° | 119.7° |
| O8' | C8B | C9' | 117.9° | 119.7° |
| C8B | O8' | HO8' | 106.0° | 106.8° |
| C8B | C9' | CA' | 118.0° | 117.3° |
| C8B | C9' | CG' | 120.1° | 120.1° |
| CA' | C9' | CG' | 121.9° | 122.6° |
| C9' | CA' | OA' | 105.1° | 109.2° |
| C9' | CA' | CB' | 113.0° | 110.6° |
| C9' | CA' | H10' | 104.9° | 109.3° |
| C9' | CG' | CF' | 120.8° | 122.6° |
| C9' | CG' | CH' | 119.2° | 120.1° |
| OA' | CA' | CB' | 112.2° | 109.2° |
| OA' | CA' | H10' | 109.0° | 109.2° |
| CA' | OA' | C1D | 118.8° | 106.8° |
| CB' | CA' | H10' | 112.2° | 109.2° |
| CA' | CB' | CC' | 107.0° | 108.3° |
| CA' | CB' | HL'1 | 114.1° | 109.7° |
| CA' | CB' | HL'2 | 110.0° | 109.7° |
| OA' | C1D | C2D | 112.4° | 109.4° |
| OA' | C1D | O5D | 109.6° | 109.4° |
| OA' | C1D | H1D | 108.2° | 109.4° |
| CC' | CB' | HL'1 | 112.1° | 109.7° |
| CC' | CB' | HL'2 | 112.0° | 109.7° |
| CB' | CC' | OC' | 110.0° | 109.8° |
| CB' | CC' | CD' | 112.8° | 109.7° |
| CB' | CC' | CF' | 107.5° | 108.3° |
| HL'1 | CB' | HL'2 | 101.8° | 109.8° |
| OC' | CC' | CD' | 105.4° | 109.7° |
| OC' | CC' | CF' | 108.8° | 109.7° |
| CC' | OC' | H12' | 108.0° | 106.9° |
| CD' | CC' | CF' | 112.4° | 109.7° |
| CC' | CD' | OD' | 120.0° | 120.0° |
| CC' | CD' | CE' | 119.6° | 120.0° |
| CC' | CF' | CG' | 112.2° | 110.7° |
| CC' | CF' | HJ'1 | 109.8° | 109.2° |
| CC' | CF' | HJ'2 | 109.2° | 109.3° |
| OD' | CD' | CE' | 120.0° | 120.0° |
| CD' | CE' | HK'1 | 110.1° | 109.5° |
| CD' | CE' | HK'2 | 109.5° | 109.5° |
| CD' | CE' | HK'3 | 111.3° | 109.4° |
| HK'1 | CE' | HK'2 | 107.5° | 109.5° |
| HK'1 | CE' | HK'3 | 109.5° | 109.5° |
| HK'2 | CE' | HK'3 | 108.8° | 109.5° |
| CG' | CF' | HJ'1 | 108.0° | 109.2° |
| CG' | CF' | HJ'2 | 110.8° | 109.3° |
| CF' | CG' | CH' | 120.0° | 117.3° |
| HJ'1 | CF' | HJ'2 | 106.7° | 109.2° |
| CG' | CH' | OH' | 117.9° | 119.8° |
| CG' | CH' | CI' | 120.3° | 120.4° |
| OH' | CH' | CI' | 121.6° | 119.8° |
| CH' | OH' | H17' | 106.5° | 106.8° |
| CH' | CI' | CJ' | 121.0° | 120.8° |
| CI' | CJ' | OJ' | 120.0° | 120.5° |
| CI' | CJ' | CK' | 120.3° | 119.1° |
| OJ' | CJ' | CK' | 119.6° | 120.4° |
| HI'1 | CL' | HI'2 | 110.4° | 109.5° |
| HI'1 | CL' | HI'3 | 109.0° | 109.5° |
| HI'2 | CL' | HI'3 | 109.2° | 109.4° |
| C2D | C1D | O5D | 112.5° | 109.8° |
| C2D | C1D | H1D | 103.2° | 109.5° |
| C1D | C2D | C3D | 107.8° | 109.0° |
| C1D | C2D | H2B | 111.3° | 109.6° |
| C1D | C2D | H2D | 111.3° | 109.6° |
| O5D | C1D | H1D | 110.6° | 109.4° |
| C1D | O5D | C5D | 113.8° | 107.7° |
| C3D | C2D | H2B | 110.1° | 109.5° |
| C3D | C2D | H2D | 110.9° | 109.6° |
| C2D | C3D | O3D | 114.4° | 109.7° |
| C2D | C3D | C4D | 110.6° | 108.7° |
| C2D | C3D | H3D | 108.4° | 109.6° |
| H2B | C2D | H2D | 105.4° | 109.7° |
| O3D | C3D | C4D | 110.7° | 109.6° |
| O3D | C3D | H3D | 105.7° | 109.6° |
| C3D | O3D | HO3A | 105.1° | 106.8° |
| C4D | C3D | H3D | 106.6° | 109.6° |
| C3D | C4D | N4D | 114.8° | 109.5° |
| C3D | C4D | C5D | 110.1° | 109.1° |
| C3D | C4D | H4D | 104.9° | 109.5° |
| N4D | C4D | C5D | 113.7° | 109.5° |
| N4D | C4D | H4D | 107.6° | 109.5° |
| C4D | N4D | C7D | 112.6° | 109.5° |
| C4D | N4D | HNB | 108.7° | 109.5° |
| C4D | N4D | HND | 110.7° | 109.5° |
| C5D | C4D | H4D | 104.8° | 109.6° |
| C4D | C5D | O5D | 108.1° | 109.8° |
| C4D | C5D | C6D | 111.7° | 109.3° |
| C4D | C5D | H5D | 103.1° | 109.5° |
| C7D | N4D | HNB | 107.6° | 109.4° |
| C7D | N4D | HND | 110.0° | 109.4° |
| N4D | C7D | C8D | 108.6° | 109.5° |
| N4D | C7D | H7B | 110.1° | 109.4° |
| N4D | C7D | H7D | 115.7° | 109.4° |
| HNB | N4D | HND | 107.1° | 109.5° |
| O5D | C5D | C6D | 112.0° | 109.4° |
| O5D | C5D | H5D | 109.6° | 109.4° |
| C6D | C5D | H5D | 111.9° | 109.4° |
| C5D | C6D | H6B | 111.5° | 109.5° |
| C5D | C6D | H6D | 112.0° | 109.5° |
| C5D | C6D | H6E | 111.2° | 109.4° |
| H6B | C6D | H6D | 107.2° | 109.6° |
| H6B | C6D | H6E | 106.7° | 109.4° |
| H6D | C6D | H6E | 107.9° | 109.4° |
| C8D | C7D | H7B | 105.1° | 109.5° |
| C8D | C7D | H7D | 108.2° | 109.5° |
| C7D | C8D | C1A | 118.5° | 120.0° |
| C7D | C8D | C1C | 120.8° | 120.0° |
| H7B | C7D | H7D | 108.8° | 109.5° |
| C1A | C8D | C1C | 120.3° | 120.0° |
| C8D | C1A | C9A | 120.2° | 120.0° |
| C8D | C1A | H9A' | 116.6° | 120.0° |
| C8D | C1C | C9B | 118.8° | 120.0° |
| C8D | C1C | H9B' | 121.1° | 119.9° |
| C1A | C9A | H9A | 120.2° | 120.0° |
| C9A | C1A | H9A' | 123.0° | 120.0° |
| C1C | C9B | H9B | 121.5° | 120.0° |
| C9B | C1C | H9B' | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C20 | H1 | 179.5° | 179.9° |
| C1 | C2 | C3 | H2 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 1.8° | 0.1° |
| C1 | C2 | C3 | H3 | 178.2° | 180.0° |
| C2 | C1 | C20 | C5 | 3.3° | 0.1° |
| C2 | C1 | C20 | C19 | 179.2° | 179.9° |
| C20 | C1 | C2 | C3 | 2.2° | 0.1° |
| C20 | C1 | C2 | H2 | 177.9° | 180.0° |
| C1 | C20 | C5 | C4 | 0.3° | 0.4° |
| C1 | C20 | C5 | C6 | 175.5° | 179.8° |
| C1 | C20 | C5 | C19 | 175.9° | 179.8° |
| C1 | C20 | C19 | C18 | 176.7° | 166.2° |
| C1 | C20 | C19 | O19 | 0.9° | 13.7° |
| H1 | C1 | C2 | C3 | 177.3° | 179.9° |
| H1 | C1 | C2 | H2 | 2.5° | 0.0° |
| H1 | C1 | C20 | C5 | 176.2° | 179.8° |
| H1 | C1 | C20 | C19 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O4 | 170.7° | 180.0° |
| C2 | C3 | C4 | C5 | 4.8° | 0.3° |
| H2 | C2 | C3 | C4 | 178.0° | 180.0° |
| H2 | C2 | C3 | H3 | 2.0° | 0.1° |
| C3 | C4 | O4 | C5 | 175.3° | 179.7° |
| C3 | C4 | O4 | C21 | 54.6° | 0.0° |
| C3 | C4 | C5 | C6 | 179.4° | 179.8° |
| C3 | C4 | C5 | C20 | 3.7° | 0.5° |
| H3 | C3 | C4 | O4 | 9.3° | 0.0° |
| H3 | C3 | C4 | C5 | 175.2° | 179.7° |
| O4 | C4 | C5 | C6 | 4.2° | 0.5° |
| O4 | C4 | C5 | C20 | 171.5° | 179.8° |
| C4 | O4 | C21 | H211 | 54.7° | 180.0° |
| C4 | O4 | C21 | H212 | 65.0° | 60.0° |
| C4 | O4 | C21 | H213 | 174.7° | 59.9° |
| C5 | C4 | O4 | C21 | 120.7° | 179.8° |
| C4 | C5 | C6 | C20 | 175.8° | 179.3° |
| C4 | C5 | C6 | O6 | 1.9° | 13.2° |
| C4 | C5 | C6 | C7 | 174.9° | 166.5° |
| C4 | C5 | C20 | C19 | 176.3° | 179.8° |
| O4 | C21 | H211 | H212 | 121.1° | 120.0° |
| O4 | C21 | H211 | H213 | 120.1° | 120.1° |
| O4 | C21 | H212 | H213 | 120.4° | 120.0° |
| C5 | C6 | O6 | C7 | 176.8° | 179.7° |
| C5 | C6 | C7 | C8 | 173.6° | 165.9° |
| C5 | C6 | C7 | C18 | 3.3° | 14.0° |
| C6 | C5 | C20 | C19 | 0.4° | 0.5° |
| C20 | C5 | C6 | O6 | 177.6° | 166.1° |
| C20 | C5 | C6 | C7 | 0.8° | 14.2° |
| C5 | C20 | C19 | C18 | 0.7° | 13.5° |
| C5 | C20 | C19 | O19 | 175.0° | 166.5° |
| O6 | C6 | C7 | C8 | 3.3° | 13.8° |
| O6 | C6 | C7 | C18 | 179.8° | 166.3° |
| C6 | C7 | C8 | C18 | 176.9° | 179.9° |
| C6 | C7 | C8 | O8 | 9.4° | 0.1° |
| C6 | C7 | C8 | C9 | 178.5° | 179.9° |
| C6 | C7 | C18 | C17 | 178.7° | 179.9° |
| C6 | C7 | C18 | C19 | 4.4° | 0.0° |
| C7 | C8 | O8 | C9 | 172.3° | 180.0° |
| C7 | C8 | O8 | HO8 | 73.4° | 85.2° |
| C7 | C8 | C9 | C10 | 179.7° | 179.7° |
| C7 | C8 | C9 | C16 | 0.4° | 0.2° |
| C8 | C7 | C18 | C17 | 4.4° | 0.2° |
| C8 | C7 | C18 | C19 | 172.5° | 179.9° |
| C18 | C7 | C8 | O8 | 167.5° | 180.0° |
| C18 | C7 | C8 | C9 | 4.6° | 0.0° |
| C7 | C18 | C17 | C16 | 0.1° | 0.2° |
| C7 | C18 | C17 | O17 | 178.5° | 179.9° |
| C7 | C18 | C17 | C19 | 176.8° | 179.9° |
| C7 | C18 | C19 | O19 | 172.5° | 166.3° |
| C7 | C18 | C19 | C20 | 3.2° | 13.8° |
| O8 | C8 | C9 | C10 | 8.0° | 0.4° |
| O8 | C8 | C9 | C16 | 171.9° | 179.7° |
| C9 | C8 | O8 | HO8 | 114.2° | 94.9° |
| C8 | C9 | C10 | C16 | 179.9° | 179.9° |
| C8 | C9 | C10 | O10 | 69.1° | 42.2° |
| C8 | C9 | C10 | C11 | 169.0° | 162.5° |
| C8 | C9 | C10 | H10 | 46.4° | 77.1° |
| C8 | C9 | C16 | C15 | 175.8° | 179.6° |
| C8 | C9 | C16 | C17 | 3.8° | 0.3° |
| C9 | C10 | O10 | C11 | 127.9° | 121.2° |
| C9 | C10 | O10 | H10 | 111.5° | 119.3° |
| C9 | C10 | C11 | H10 | 117.4° | 120.4° |
| C9 | C10 | O10 | C1' | 145.7° | 142.5° |
| C9 | C10 | C11 | C12 | 37.5° | 51.1° |
| C9 | C10 | C11 | H111 | 92.5° | 68.6° |
| C9 | C10 | C11 | H112 | 154.1° | 170.8° |
| C10 | C9 | C16 | C15 | 4.3° | 0.5° |
| C10 | C9 | C16 | C17 | 176.1° | 179.6° |
| C16 | C9 | C10 | O10 | 110.8° | 138.0° |
| C16 | C9 | C10 | C11 | 11.1° | 17.6° |
| C16 | C9 | C10 | H10 | 133.7° | 102.8° |
| C9 | C16 | C15 | C12 | 24.7° | 17.7° |
| C9 | C16 | C15 | C17 | 179.6° | 179.8° |
| C9 | C16 | C15 | H151 | 92.8° | 102.5° |
| C9 | C16 | C15 | H152 | 148.7° | 138.1° |
| C9 | C16 | C17 | O17 | 177.4° | 179.9° |
| C9 | C16 | C17 | C18 | 4.0° | 0.0° |
| O10 | C10 | C11 | H10 | 118.2° | 119.4° |
| O10 | C10 | C11 | C12 | 86.9° | 171.3° |
| O10 | C10 | C11 | H111 | 143.1° | 51.6° |
| O10 | C10 | C11 | H112 | 29.7° | 69.0° |
| C10 | O10 | C1' | C2' | 168.8° | 168.0° |
| C10 | O10 | C1' | O5' | 57.3° | 71.8° |
| C10 | O10 | C1' | H1' | 56.5° | 48.0° |
| C11 | C10 | O10 | C1' | 86.4° | 96.3° |
| C10 | C11 | C12 | H111 | 130.7° | 119.7° |
| C10 | C11 | C12 | H112 | 115.2° | 119.7° |
| C10 | C11 | H111 | H112 | 114.5° | 120.6° |
| C10 | C11 | C12 | O12 | 67.7° | 170.5° |
| C10 | C11 | C12 | C13 | 174.1° | 49.9° |
| C10 | C11 | C12 | C15 | 56.7° | 69.8° |
| H10 | C10 | O10 | C1' | 34.1° | 23.2° |
| H10 | C10 | C11 | C12 | 154.9° | 69.3° |
| H10 | C10 | C11 | H111 | 24.9° | 171.0° |
| H10 | C10 | C11 | H112 | 88.5° | 50.4° |
| O10 | C1' | C2' | O5' | 134.4° | 120.1° |
| O10 | C1' | C2' | H1' | 112.0° | 119.9° |
| O10 | C1' | O5' | H1' | 114.2° | 119.8° |
| O10 | C1' | C2' | C3' | 92.5° | 178.7° |
| O10 | C1' | C2' | H2'1 | 20.0° | 58.8° |
| O10 | C1' | C2' | H2'2 | 138.0° | 61.5° |
| O10 | C1' | O5' | C5' | 89.0° | 172.2° |
| C12 | C11 | H111 | H112 | 116.5° | 120.5° |
| C11 | C12 | O12 | C13 | 117.4° | 120.6° |
| C11 | C12 | O12 | C15 | 123.8° | 118.8° |
| C11 | C12 | C13 | C15 | 118.7° | 118.9° |
| C11 | C12 | O12 | H12 | 155.1° | 178.8° |
| C11 | C12 | C13 | O13 | 75.6° | 94.4° |
| C11 | C12 | C13 | C14 | 96.0° | 85.7° |
| C11 | C12 | C15 | C16 | 50.8° | 51.1° |
| C11 | C12 | C15 | H151 | 67.3° | 69.1° |
| C11 | C12 | C15 | H152 | 173.2° | 171.5° |
| H111 | C11 | C12 | O12 | 161.6° | 69.8° |
| H111 | C11 | C12 | C13 | 43.5° | 169.7° |
| H111 | C11 | C12 | C15 | 74.0° | 49.9° |
| H112 | C11 | C12 | O12 | 47.4° | 50.8° |
| H112 | C11 | C12 | C13 | 70.7° | 69.8° |
| H112 | C11 | C12 | C15 | 171.9° | 170.5° |
| O12 | C12 | C13 | C15 | 120.7° | 120.6° |
| O12 | C12 | C13 | O13 | 163.7° | 145.1° |
| O12 | C12 | C13 | C14 | 24.6° | 34.8° |
| O12 | C12 | C15 | C16 | 74.0° | 170.8° |
| O12 | C12 | C15 | H151 | 167.9° | 50.6° |
| O12 | C12 | C15 | H152 | 48.3° | 68.8° |
| C13 | C12 | O12 | H12 | 87.5° | 60.6° |
| C12 | C13 | O13 | C14 | 171.7° | 179.9° |
| C12 | C13 | C14 | H141 | 59.4° | 180.0° |
| C12 | C13 | C14 | H142 | 60.9° | 60.0° |
| C12 | C13 | C14 | H143 | 179.6° | 59.9° |
| C13 | C12 | C15 | C16 | 167.3° | 68.6° |
| C13 | C12 | C15 | H151 | 49.2° | 171.2° |
| C13 | C12 | C15 | H152 | 70.3° | 51.7° |
| C15 | C12 | O12 | H12 | 31.2° | 60.0° |
| C15 | C12 | C13 | O13 | 43.1° | 24.5° |
| C15 | C12 | C13 | C14 | 145.3° | 155.4° |
| C12 | C15 | C16 | H151 | 117.6° | 120.2° |
| C12 | C15 | C16 | H152 | 124.0° | 120.4° |
| C12 | C15 | H151 | H152 | 120.2° | 119.4° |
| C12 | C15 | C16 | C17 | 155.7° | 162.5° |
| O13 | C13 | C14 | H141 | 128.9° | 0.0° |
| O13 | C13 | C14 | H142 | 110.8° | 120.1° |
| O13 | C13 | C14 | H143 | 8.7° | 120.0° |
| C13 | C14 | H141 | H142 | 119.8° | 120.0° |
| C13 | C14 | H141 | H143 | 119.6° | 120.0° |
| C13 | C14 | H142 | H143 | 119.2° | 119.9° |
| H141 | C14 | H142 | H143 | 120.9° | 120.1° |
| C16 | C15 | H151 | H152 | 117.2° | 119.4° |
| C15 | C16 | C17 | O17 | 3.0° | 0.3° |
| C15 | C16 | C17 | C18 | 175.6° | 179.8° |
| H151 | C15 | C16 | C17 | 86.8° | 77.3° |
| H152 | C15 | C16 | C17 | 31.7° | 42.1° |
| C16 | C17 | O17 | C18 | 178.6° | 179.9° |
| C16 | C17 | O17 | H17 | 131.7° | 90.0° |
| C16 | C17 | C18 | C19 | 176.7° | 179.9° |
| O17 | C17 | C18 | C19 | 4.7° | 0.1° |
| C18 | C17 | O17 | H17 | 49.7° | 89.9° |
| C17 | C18 | C19 | O19 | 4.3° | 13.7° |
| C17 | C18 | C19 | C20 | 180.0° | 166.3° |
| C18 | C19 | O19 | C20 | 175.8° | 179.9° |
| H211 | C21 | H212 | H213 | 118.7° | 120.0° |
| C2' | C1' | O5' | H1' | 114.1° | 120.0° |
| C1' | C2' | C3' | H2'1 | 115.7° | 119.8° |
| C1' | C2' | C3' | H2'2 | 127.3° | 119.9° |
| C1' | C2' | H2'1 | H2'2 | 120.5° | 120.2° |
| C1' | C2' | C3' | O3' | 177.2° | 66.2° |
| C1' | C2' | C3' | C4' | 53.0° | 53.7° |
| C1' | C2' | C3' | H3' | 64.3° | 173.5° |
| C2' | C1' | O5' | C5' | 42.7° | 67.7° |
| O5' | C1' | C2' | C3' | 41.9° | 61.2° |
| O5' | C1' | C2' | H2'1 | 154.4° | 178.8° |
| O5' | C1' | C2' | H2'2 | 87.7° | 58.6° |
| C1' | O5' | C5' | C4' | 50.6° | 67.7° |
| C1' | O5' | C5' | C6' | 172.9° | 52.4° |
| C1' | O5' | C5' | H5' | 64.2° | 172.2° |
| H1' | C1' | C2' | C3' | 155.5° | 58.8° |
| H1' | C1' | C2' | H2'1 | 92.0° | 61.2° |
| H1' | C1' | C2' | H2'2 | 25.9° | 178.6° |
| H1' | C1' | O5' | C5' | 156.8° | 52.4° |
| C3' | C2' | H2'1 | H2'2 | 122.6° | 120.3° |
| C2' | C3' | O3' | C4' | 123.5° | 119.3° |
| C2' | C3' | O3' | H3' | 121.3° | 120.3° |
| C2' | C3' | C4' | H3' | 120.0° | 119.8° |
| C2' | C3' | O3' | HO3' | 156.8° | 60.0° |
| C2' | C3' | C4' | N4' | 63.6° | 173.7° |
| C2' | C3' | C4' | C5' | 64.1° | 53.7° |
| C2' | C3' | C4' | H4' | 175.5° | 66.2° |
| H2'1 | C2' | C3' | O3' | 67.1° | 53.6° |
| H2'1 | C2' | C3' | C4' | 168.7° | 173.5° |
| H2'1 | C2' | C3' | H3' | 51.4° | 66.7° |
| H2'2 | C2' | C3' | O3' | 49.9° | 174.0° |
| H2'2 | C2' | C3' | C4' | 74.3° | 66.2° |
| H2'2 | C2' | C3' | H3' | 168.4° | 53.6° |
| O3' | C3' | C4' | H3' | 114.9° | 120.4° |
| O3' | C3' | C4' | N4' | 61.5° | 53.9° |
| O3' | C3' | C4' | C5' | 170.7° | 66.1° |
| O3' | C3' | C4' | H4' | 59.4° | 174.0° |
| C4' | C3' | O3' | HO3' | 79.7° | 179.2° |
| C3' | C4' | N4' | C5' | 125.4° | 119.6° |
| C3' | C4' | N4' | H4' | 118.0° | 120.1° |
| C3' | C4' | C5' | H4' | 112.6° | 119.8° |
| C3' | C4' | N4' | C7' | 127.9° | 179.9° |
| C3' | C4' | N4' | HN'1 | 9.4° | 60.1° |
| C3' | C4' | N4' | HN'2 | 108.7° | 59.9° |
| C3' | C4' | C5' | O5' | 60.4° | 61.2° |
| C3' | C4' | C5' | C6' | 177.4° | 58.8° |
| C3' | C4' | C5' | H5' | 58.8° | 178.7° |
| H3' | C3' | O3' | HO3' | 35.5° | 60.4° |
| H3' | C3' | C4' | N4' | 176.4° | 66.5° |
| H3' | C3' | C4' | C5' | 55.9° | 173.5° |
| H3' | C3' | C4' | H4' | 55.5° | 53.6° |
| N4' | C4' | C5' | H4' | 120.5° | 120.2° |
| C4' | N4' | C7' | HN'1 | 120.3° | 120.1° |
| C4' | N4' | C7' | HN'2 | 123.9° | 120.0° |
| C4' | N4' | HN'1 | HN'2 | 120.1° | 120.0° |
| N4' | C4' | C5' | O5' | 66.5° | 178.8° |
| N4' | C4' | C5' | C6' | 55.7° | 61.2° |
| N4' | C4' | C5' | H5' | 174.3° | 58.7° |
| C4' | N4' | C7' | C8' | 49.2° | 180.0° |
| C4' | N4' | C7' | H7'1 | 162.7° | 60.0° |
| C4' | N4' | C7' | H7'2 | 73.6° | 60.1° |
| C5' | C4' | N4' | C7' | 106.7° | 60.4° |
| C5' | C4' | N4' | HN'1 | 134.8° | 59.6° |
| C5' | C4' | N4' | HN'2 | 16.7° | 179.6° |
| C4' | C5' | O5' | C6' | 122.3° | 120.0° |
| C4' | C5' | O5' | H5' | 114.8° | 120.1° |
| C4' | C5' | C6' | H5' | 115.5° | 119.9° |
| C4' | C5' | C6' | H6'1 | 63.3° | 60.6° |
| C4' | C5' | C6' | H6'2 | 176.8° | 179.4° |
| C4' | C5' | C6' | H6'3 | 55.9° | 59.4° |
| H4' | C4' | N4' | C7' | 9.9° | 59.8° |
| H4' | C4' | N4' | HN'1 | 108.6° | 179.8° |
| H4' | C4' | N4' | HN'2 | 133.3° | 60.2° |
| H4' | C4' | C5' | O5' | 173.0° | 58.6° |
| H4' | C4' | C5' | C6' | 64.8° | 178.6° |
| H4' | C4' | C5' | H5' | 53.8° | 61.5° |
| C7' | N4' | HN'1 | HN'2 | 117.5° | 119.9° |
| N4' | C7' | C8' | H7'1 | 117.7° | 120.1° |
| N4' | C7' | C8' | H7'2 | 126.0° | 120.0° |
| N4' | C7' | H7'1 | H7'2 | 126.3° | 120.0° |
| N4' | C7' | C8' | C9A | 106.1° | 90.1° |
| N4' | C7' | C8' | C9B | 68.4° | 90.2° |
| HN'1 | N4' | C7' | C8' | 71.1° | 59.9° |
| HN'1 | N4' | C7' | H7'1 | 42.4° | 180.0° |
| HN'1 | N4' | C7' | H7'2 | 166.1° | 60.0° |
| HN'2 | N4' | C7' | C8' | 173.1° | 60.0° |
| HN'2 | N4' | C7' | H7'1 | 73.5° | 60.1° |
| HN'2 | N4' | C7' | H7'2 | 50.2° | 179.9° |
| O5' | C5' | C6' | H5' | 123.9° | 119.9° |
| O5' | C5' | C6' | H6'1 | 57.4° | 179.2° |
| O5' | C5' | C6' | H6'2 | 62.5° | 59.2° |
| O5' | C5' | C6' | H6'3 | 176.5° | 60.8° |
| C5' | C6' | H6'1 | H6'2 | 122.2° | 119.9° |
| C5' | C6' | H6'1 | H6'3 | 121.5° | 120.0° |
| C5' | C6' | H6'2 | H6'3 | 122.6° | 120.0° |
| H5' | C5' | C6' | H6'1 | 178.7° | 59.3° |
| H5' | C5' | C6' | H6'2 | 61.4° | 60.7° |
| H5' | C5' | C6' | H6'3 | 59.6° | 179.3° |
| H6'1 | C6' | H6'2 | H6'3 | 115.5° | 120.1° |
| C8' | C7' | H7'1 | H7'2 | 115.5° | 120.0° |
| C7' | C8' | C9A | C9B | 174.4° | 179.7° |
| C7' | C8' | C9A | C1A | 173.3° | 180.0° |
| C7' | C8' | C9A | H9A | 3.3° | 0.1° |
| C7' | C8' | C9B | C1C | 174.6° | 179.8° |
| C7' | C8' | C9B | H9B | 12.6° | 0.2° |
| H7'1 | C7' | C8' | C9A | 136.2° | 30.0° |
| H7'1 | C7' | C8' | C9B | 49.3° | 149.7° |
| H7'2 | C7' | C8' | C9A | 19.9° | 150.0° |
| H7'2 | C7' | C8' | C9B | 165.6° | 29.7° |
| C8' | C9A | C1A | C8D | 11.2° | 0.1° |
| C8' | C9A | C1A | H9A | 176.6° | 179.9° |
| C9A | C8' | C9B | C1C | 10.9° | 0.5° |
| C9A | C8' | C9B | H9B | 161.9° | 179.8° |
| C8' | C9A | C1A | H9A' | 163.8° | 179.9° |
| C8' | C9B | C1C | C8D | 12.7° | 0.4° |
| C9B | C8' | C9A | C1A | 1.1° | 0.3° |
| C9B | C8' | C9A | H9A | 177.7° | 179.7° |
| C8' | C9B | C1C | H9B | 172.5° | 179.6° |
| C8' | C9B | C1C | H9B' | 168.7° | 179.8° |
| C2B | C1B | CK' | H1B | 179.6° | 179.9° |
| C1B | C2B | C3B | H2' | 179.3° | 180.0° |
| C1B | C2B | C3B | C4B | 1.1° | 0.0° |
| C1B | C2B | C3B | H3B | 179.1° | 180.0° |
| C2B | C1B | CK' | C5B | 2.8° | 0.0° |
| C2B | C1B | CK' | CJ' | 174.5° | 179.9° |
| CK' | C1B | C2B | C3B | 6.4° | 0.0° |
| CK' | C1B | C2B | H2' | 172.9° | 180.0° |
| C1B | CK' | C5B | C4B | 6.0° | 0.1° |
| C1B | CK' | C5B | C6B | 169.7° | 179.9° |
| C1B | CK' | C5B | CJ' | 177.2° | 180.0° |
| C1B | CK' | CJ' | CI' | 174.1° | 166.1° |
| C1B | CK' | CJ' | OJ' | 3.8° | 13.8° |
| H1B | C1B | C2B | C3B | 173.2° | 179.9° |
| H1B | C1B | C2B | H2' | 7.5° | 0.1° |
| H1B | C1B | CK' | C5B | 176.8° | 179.9° |
| H1B | C1B | CK' | CJ' | 5.9° | 0.0° |
| C2B | C3B | C4B | H3B | 179.7° | 180.0° |
| C2B | C3B | C4B | O4' | 162.4° | 180.0° |
| C2B | C3B | C4B | C5B | 7.7° | 0.0° |
| H2' | C2B | C3B | C4B | 178.2° | 180.0° |
| H2' | C2B | C3B | H3B | 1.5° | 0.0° |
| C3B | C4B | O4' | C5B | 169.9° | 179.9° |
| C3B | C4B | O4' | CL' | 64.1° | 0.0° |
| C3B | C4B | C5B | C6B | 164.4° | 179.9° |
| C3B | C4B | C5B | CK' | 11.3° | 0.1° |
| H3B | C3B | C4B | O4' | 17.9° | 0.1° |
| H3B | C3B | C4B | C5B | 172.1° | 180.0° |
| O4' | C4B | C5B | C6B | 25.9° | 0.0° |
| O4' | C4B | C5B | CK' | 158.5° | 180.0° |
| C4B | O4' | CL' | HI'1 | 65.7° | 180.0° |
| C4B | O4' | CL' | HI'2 | 55.7° | 60.0° |
| C4B | O4' | CL' | HI'3 | 175.6° | 59.9° |
| C5B | C4B | O4' | CL' | 126.0° | 179.9° |
| C4B | C5B | C6B | CK' | 175.7° | 180.0° |
| C4B | C5B | C6B | O6' | 5.9° | 13.7° |
| C4B | C5B | C6B | C7B | 176.8° | 166.2° |
| C4B | C5B | CK' | CJ' | 176.7° | 179.9° |
| O4' | CL' | HI'1 | HI'2 | 121.4° | 120.0° |
| O4' | CL' | HI'1 | HI'3 | 118.7° | 120.0° |
| O4' | CL' | HI'2 | HI'3 | 119.7° | 119.9° |
| C5B | C6B | O6' | C7B | 177.2° | 180.0° |
| C5B | C6B | C7B | C8B | 179.2° | 166.3° |
| C5B | C6B | C7B | CI' | 2.7° | 13.8° |
| C6B | C5B | CK' | CJ' | 7.6° | 0.1° |
| CK' | C5B | C6B | O6' | 169.7° | 166.3° |
| CK' | C5B | C6B | C7B | 7.5° | 13.8° |
| C5B | CK' | CJ' | CI' | 3.1° | 13.9° |
| C5B | CK' | CJ' | OJ' | 179.0° | 166.1° |
| O6' | C6B | C7B | C8B | 3.6° | 13.7° |
| O6' | C6B | C7B | CI' | 174.5° | 166.3° |
| C6B | C7B | C8B | CI' | 178.1° | 180.0° |
| C6B | C7B | C8B | O8' | 9.2° | 0.1° |
| C6B | C7B | C8B | C9' | 178.9° | 179.9° |
| C6B | C7B | CI' | CH' | 177.1° | 179.9° |
| C6B | C7B | CI' | CJ' | 1.8° | 0.1° |
| C7B | C8B | O8' | C9' | 170.0° | 180.0° |
| C7B | C8B | O8' | HO8' | 77.9° | 93.3° |
| C7B | C8B | C9' | CA' | 175.5° | 179.7° |
| C7B | C8B | C9' | CG' | 4.7° | 0.0° |
| C8B | C7B | CI' | CH' | 1.0° | 0.2° |
| C8B | C7B | CI' | CJ' | 176.3° | 179.9° |
| CI' | C7B | C8B | O8' | 168.9° | 179.8° |
| CI' | C7B | C8B | C9' | 0.8° | 0.1° |
| C7B | CI' | CH' | CG' | 1.1° | 0.0° |
| C7B | CI' | CH' | OH' | 173.2° | 180.0° |
| C7B | CI' | CH' | CJ' | 175.3° | 179.9° |
| C7B | CI' | CJ' | OJ' | 176.2° | 166.1° |
| C7B | CI' | CJ' | CK' | 1.7° | 13.9° |
| O8' | C8B | C9' | CA' | 14.5° | 0.3° |
| O8' | C8B | C9' | CG' | 165.3° | 180.0° |
| C9' | C8B | O8' | HO8' | 92.1° | 86.7° |
| C8B | C9' | CA' | CG' | 179.8° | 179.7° |
| C8B | C9' | CA' | OA' | 69.3° | 42.2° |
| C8B | C9' | CA' | CB' | 168.1° | 162.5° |
| C8B | C9' | CA' | H10' | 45.6° | 77.3° |
| C8B | C9' | CG' | CF' | 173.0° | 179.6° |
| C8B | C9' | CG' | CH' | 6.7° | 0.2° |
| C9' | CA' | OA' | CB' | 123.2° | 121.1° |
| C9' | CA' | OA' | H10' | 112.0° | 119.5° |
| C9' | CA' | CB' | H10' | 118.3° | 120.3° |
| C9' | CA' | OA' | C1D | 137.7° | 142.1° |
| C9' | CA' | CB' | CC' | 49.8° | 51.2° |
| C9' | CA' | CB' | HL'1 | 74.8° | 170.9° |
| C9' | CA' | CB' | HL'2 | 171.7° | 68.5° |
| CA' | C9' | CG' | CF' | 6.8° | 0.7° |
| CA' | C9' | CG' | CH' | 173.5° | 179.5° |
| CG' | C9' | CA' | OA' | 110.5° | 138.1° |
| CG' | C9' | CA' | CB' | 12.1° | 17.9° |
| CG' | C9' | CA' | H10' | 134.6° | 102.4° |
| C9' | CG' | CF' | CC' | 13.8° | 17.7° |
| C9' | CG' | CF' | CH' | 179.7° | 179.8° |
| C9' | CG' | CF' | HJ'1 | 107.3° | 138.0° |
| C9' | CG' | CF' | HJ'2 | 136.2° | 102.7° |
| C9' | CG' | CH' | OH' | 169.6° | 179.9° |
| C9' | CG' | CH' | CI' | 4.9° | 0.2° |
| OA' | CA' | CB' | H10' | 123.1° | 119.4° |
| OA' | CA' | CB' | CC' | 68.8° | 171.5° |
| OA' | CA' | CB' | HL'1 | 166.6° | 68.8° |
| OA' | CA' | CB' | HL'2 | 53.0° | 51.8° |
| CA' | OA' | C1D | C2D | 174.7° | 171.0° |
| CA' | OA' | C1D | O5D | 59.3° | 68.7° |
| CA' | OA' | C1D | H1D | 61.4° | 51.1° |
| CB' | CA' | OA' | C1D | 99.2° | 96.8° |
| CA' | CB' | CC' | HL'1 | 125.8° | 119.7° |
| CA' | CB' | CC' | HL'2 | 120.6° | 119.7° |
| CA' | CB' | HL'1 | HL'2 | 118.4° | 120.6° |
| CA' | CB' | CC' | OC' | 48.3° | 170.5° |
| CA' | CB' | CC' | CD' | 165.6° | 49.9° |
| CA' | CB' | CC' | CF' | 70.0° | 69.8° |
| H10' | CA' | OA' | C1D | 25.7° | 22.6° |
| H10' | CA' | CB' | CC' | 168.1° | 69.1° |
| H10' | CA' | CB' | HL'1 | 43.6° | 50.6° |
| H10' | CA' | CB' | HL'2 | 70.0° | 171.2° |
| OA' | C1D | C2D | O5D | 124.4° | 120.0° |
| OA' | C1D | C2D | H1D | 116.4° | 119.9° |
| OA' | C1D | O5D | H1D | 119.3° | 119.8° |
| OA' | C1D | C2D | C3D | 71.3° | 178.7° |
| OA' | C1D | C2D | H2B | 49.6° | 61.5° |
| OA' | C1D | C2D | H2D | 166.9° | 58.9° |
| OA' | C1D | O5D | C5D | 67.2° | 172.4° |
| CC' | CB' | HL'1 | HL'2 | 119.8° | 120.6° |
| CB' | CC' | OC' | CD' | 121.8° | 120.6° |
| CB' | CC' | OC' | CF' | 117.5° | 118.8° |
| CB' | CC' | CD' | CF' | 121.7° | 118.9° |
| CB' | CC' | OC' | H12' | 133.2° | 180.0° |
| CB' | CC' | CD' | OD' | 51.8° | 95.1° |
| CB' | CC' | CD' | CE' | 120.7° | 84.9° |
| CB' | CC' | CF' | CG' | 51.8° | 51.0° |
| CB' | CC' | CF' | HJ'1 | 68.3° | 171.3° |
| CB' | CC' | CF' | HJ'2 | 175.1° | 69.4° |
| HL'1 | CB' | CC' | OC' | 174.1° | 50.8° |
| HL'1 | CB' | CC' | CD' | 68.6° | 69.8° |
| HL'1 | CB' | CC' | CF' | 55.8° | 170.5° |
| HL'2 | CB' | CC' | OC' | 72.3° | 69.8° |
| HL'2 | CB' | CC' | CD' | 45.0° | 169.6° |
| HL'2 | CB' | CC' | CF' | 169.4° | 49.9° |
| OC' | CC' | CD' | CF' | 118.3° | 120.5° |
| OC' | CC' | CD' | OD' | 171.8° | 144.3° |
| OC' | CC' | CD' | CE' | 0.7° | 35.7° |
| OC' | CC' | CF' | CG' | 67.3° | 170.8° |
| OC' | CC' | CF' | HJ'1 | 172.6° | 68.9° |
| OC' | CC' | CF' | HJ'2 | 56.0° | 50.4° |
| CD' | CC' | OC' | H12' | 105.0° | 59.4° |
| CC' | CD' | OD' | CE' | 172.5° | 180.0° |
| CC' | CD' | CE' | HK'1 | 59.1° | 180.0° |
| CC' | CD' | CE' | HK'2 | 58.9° | 60.0° |
| CC' | CD' | CE' | HK'3 | 179.3° | 60.1° |
| CD' | CC' | CF' | CG' | 176.5° | 68.7° |
| CD' | CC' | CF' | HJ'1 | 56.4° | 51.6° |
| CD' | CC' | CF' | HJ'2 | 60.3° | 170.9° |
| CF' | CC' | OC' | H12' | 15.7° | 61.2° |
| CF' | CC' | CD' | OD' | 69.9° | 23.8° |
| CF' | CC' | CD' | CE' | 117.6° | 156.2° |
| CC' | CF' | CG' | HJ'1 | 121.1° | 120.2° |
| CC' | CF' | CG' | HJ'2 | 122.4° | 120.4° |
| CC' | CF' | HJ'1 | HJ'2 | 118.2° | 119.4° |
| CC' | CF' | CG' | CH' | 165.9° | 162.5° |
| OD' | CD' | CE' | HK'1 | 128.4° | 0.0° |
| OD' | CD' | CE' | HK'2 | 113.6° | 120.0° |
| OD' | CD' | CE' | HK'3 | 6.8° | 120.0° |
| CD' | CE' | HK'1 | HK'2 | 119.2° | 120.0° |
| CD' | CE' | HK'1 | HK'3 | 122.7° | 119.9° |
| CD' | CE' | HK'2 | HK'3 | 121.9° | 120.0° |
| HK'1 | CE' | HK'2 | HK'3 | 118.5° | 120.0° |
| CG' | CF' | HJ'1 | HJ'2 | 119.2° | 119.4° |
| CF' | CG' | CH' | OH' | 10.6° | 0.3° |
| CF' | CG' | CH' | CI' | 174.8° | 179.7° |
| HJ'1 | CF' | CG' | CH' | 73.0° | 42.2° |
| HJ'2 | CF' | CG' | CH' | 43.5° | 77.1° |
| CG' | CH' | OH' | CI' | 174.5° | 180.0° |
| CG' | CH' | OH' | H17' | 118.8° | 90.0° |
| CG' | CH' | CI' | CJ' | 174.2° | 179.9° |
| OH' | CH' | CI' | CJ' | 11.5° | 0.0° |
| CI' | CH' | OH' | H17' | 66.7° | 89.9° |
| CH' | CI' | CJ' | OJ' | 0.9° | 13.9° |
| CH' | CI' | CJ' | CK' | 177.0° | 166.0° |
| CI' | CJ' | OJ' | CK' | 177.9° | 179.9° |
| HI'1 | CL' | HI'2 | HI'3 | 119.8° | 120.0° |
| C2D | C1D | O5D | H1D | 114.9° | 120.1° |
| C1D | C2D | C3D | H2B | 121.6° | 119.8° |
| C1D | C2D | C3D | H2D | 122.0° | 119.9° |
| C1D | C2D | H2B | H2D | 120.8° | 120.3° |
| C1D | C2D | C3D | O3D | 179.4° | 66.1° |
| C1D | C2D | C3D | C4D | 53.6° | 53.7° |
| C1D | C2D | C3D | H3D | 63.0° | 173.5° |
| C2D | C1D | O5D | C5D | 58.7° | 67.6° |
| O5D | C1D | C2D | C3D | 53.1° | 61.2° |
| O5D | C1D | C2D | H2B | 173.9° | 58.6° |
| O5D | C1D | C2D | H2D | 68.7° | 178.9° |
| C1D | O5D | C5D | C4D | 60.4° | 67.5° |
| C1D | O5D | C5D | C6D | 176.1° | 52.4° |
| C1D | O5D | C5D | H5D | 51.3° | 172.3° |
| H1D | C1D | C2D | C3D | 172.3° | 58.9° |
| H1D | C1D | C2D | H2B | 66.8° | 178.7° |
| H1D | C1D | C2D | H2D | 50.5° | 61.0° |
| H1D | C1D | O5D | C5D | 173.5° | 52.6° |
| C3D | C2D | H2B | H2D | 119.7° | 120.3° |
| C2D | C3D | O3D | C4D | 125.7° | 119.3° |
| C2D | C3D | O3D | H3D | 119.2° | 120.4° |
| C2D | C3D | C4D | H3D | 117.7° | 119.8° |
| C2D | C3D | O3D | HO3A | 149.1° | 60.7° |
| C2D | C3D | C4D | N4D | 70.8° | 173.6° |
| C2D | C3D | C4D | C5D | 59.0° | 53.7° |
| C2D | C3D | C4D | H4D | 171.3° | 66.3° |
| H2B | C2D | C3D | O3D | 59.0° | 174.0° |
| H2B | C2D | C3D | C4D | 175.2° | 66.1° |
| H2B | C2D | C3D | H3D | 58.7° | 53.6° |
| H2D | C2D | C3D | O3D | 57.3° | 53.7° |
| H2D | C2D | C3D | C4D | 68.4° | 173.6° |
| H2D | C2D | C3D | H3D | 175.0° | 66.7° |
| O3D | C3D | C4D | H3D | 114.5° | 120.3° |
| O3D | C3D | C4D | N4D | 57.0° | 53.7° |
| O3D | C3D | C4D | C5D | 173.2° | 66.2° |
| O3D | C3D | C4D | H4D | 60.9° | 173.8° |
| C4D | C3D | O3D | HO3A | 85.2° | 180.0° |
| C3D | C4D | N4D | C5D | 128.1° | 119.6° |
| C3D | C4D | N4D | H4D | 116.4° | 120.1° |
| C3D | C4D | C5D | H4D | 112.3° | 119.9° |
| C3D | C4D | N4D | C7D | 128.5° | 179.8° |
| C3D | C4D | N4D | HNB | 9.3° | 60.2° |
| C3D | C4D | N4D | HND | 108.0° | 59.8° |
| C3D | C4D | C5D | O5D | 59.7° | 61.1° |
| C3D | C4D | C5D | C6D | 176.6° | 58.9° |
| C3D | C4D | C5D | H5D | 56.3° | 178.7° |
| H3D | C3D | O3D | HO3A | 29.9° | 59.7° |
| H3D | C3D | C4D | N4D | 171.5° | 66.7° |
| H3D | C3D | C4D | C5D | 58.6° | 173.5° |
| H3D | C3D | C4D | H4D | 53.6° | 53.5° |
| N4D | C4D | C5D | H4D | 117.2° | 120.2° |
| C4D | N4D | C7D | HNB | 119.8° | 120.0° |
| C4D | N4D | C7D | HND | 123.9° | 120.0° |
| C4D | N4D | HNB | HND | 119.6° | 120.1° |
| N4D | C4D | C5D | O5D | 70.7° | 179.0° |
| N4D | C4D | C5D | C6D | 52.9° | 61.0° |
| N4D | C4D | C5D | H5D | 173.3° | 58.9° |
| C4D | N4D | C7D | C8D | 55.9° | 180.0° |
| C4D | N4D | C7D | H7B | 170.3° | 60.0° |
| C4D | N4D | C7D | H7D | 65.9° | 60.0° |
| C5D | C4D | N4D | C7D | 103.5° | 60.2° |
| C5D | C4D | N4D | HNB | 137.4° | 179.8° |
| C5D | C4D | N4D | HND | 20.1° | 59.8° |
| C4D | C5D | O5D | C6D | 123.5° | 119.9° |
| C4D | C5D | O5D | H5D | 111.7° | 120.2° |
| C4D | C5D | C6D | H5D | 115.0° | 119.9° |
| C4D | C5D | C6D | H6B | 62.3° | 59.9° |
| C4D | C5D | C6D | H6D | 177.5° | 60.3° |
| C4D | C5D | C6D | H6E | 56.6° | 179.8° |
| H4D | C4D | N4D | C7D | 12.1° | 60.1° |
| H4D | C4D | N4D | HNB | 107.1° | 59.9° |
| H4D | C4D | N4D | HND | 135.6° | 180.0° |
| H4D | C4D | C5D | O5D | 172.1° | 58.8° |
| H4D | C4D | C5D | C6D | 64.3° | 178.8° |
| H4D | C4D | C5D | H5D | 56.1° | 61.3° |
| C7D | N4D | HNB | HND | 118.2° | 119.9° |
| N4D | C7D | C8D | H7B | 117.7° | 120.0° |
| N4D | C7D | C8D | H7D | 126.2° | 120.0° |
| N4D | C7D | H7B | H7D | 127.7° | 119.9° |
| N4D | C7D | C8D | C1A | 69.7° | 90.0° |
| N4D | C7D | C8D | C1C | 103.5° | 90.0° |
| HNB | N4D | C7D | C8D | 63.9° | 60.0° |
| HNB | N4D | C7D | H7B | 50.6° | 180.0° |
| HNB | N4D | C7D | H7D | 174.3° | 60.1° |
| HND | N4D | C7D | C8D | 179.8° | 59.9° |
| HND | N4D | C7D | H7B | 65.7° | 60.0° |
| HND | N4D | C7D | H7D | 58.0° | 180.0° |
| O5D | C5D | C6D | H5D | 123.6° | 119.9° |
| O5D | C5D | C6D | H6B | 59.1° | 60.3° |
| O5D | C5D | C6D | H6D | 61.1° | 179.5° |
| O5D | C5D | C6D | H6E | 178.1° | 59.6° |
| C5D | C6D | H6B | H6D | 123.0° | 120.1° |
| C5D | C6D | H6B | H6E | 121.6° | 119.9° |
| C5D | C6D | H6D | H6E | 122.7° | 119.9° |
| H5D | C5D | C6D | H6B | 177.4° | 179.8° |
| H5D | C5D | C6D | H6D | 62.5° | 59.6° |
| H5D | C5D | C6D | H6E | 58.4° | 60.3° |
| H6B | C6D | H6D | H6E | 114.6° | 120.0° |
| C8D | C7D | H7B | H7D | 115.6° | 120.1° |
| C7D | C8D | C1A | C1C | 173.3° | 180.0° |
| C7D | C8D | C1A | C9A | 177.3° | 180.0° |
| C7D | C8D | C1C | C9B | 170.4° | 179.8° |
| C7D | C8D | C1A | H9A' | 7.3° | 0.0° |
| C7D | C8D | C1C | H9B' | 8.2° | 0.0° |
| H7B | C7D | C8D | C1A | 48.0° | 150.0° |
| H7B | C7D | C8D | C1C | 138.8° | 30.0° |
| H7D | C7D | C8D | C1A | 164.0° | 30.0° |
| H7D | C7D | C8D | C1C | 22.7° | 150.1° |
| C8D | C1A | C9A | H9A' | 175.1° | 180.0° |
| C8D | C1A | C9A | H9A | 172.1° | 180.0° |
| C1A | C8D | C1C | C9B | 2.7° | 0.2° |
| C1A | C8D | C1C | H9B' | 178.7° | 179.9° |
| C1C | C8D | C1A | C9A | 9.4° | 0.0° |
| C8D | C1C | C9B | H9B' | 178.6° | 179.8° |
| C8D | C1C | C9B | H9B | 159.8° | 179.9° |
| C1C | C8D | C1A | H9A' | 166.0° | 180.0° |
| H9A | C9A | C1A | H9A' | 12.8° | 0.0° |
| H9B | C9B | C1C | H9B' | 18.8° | 0.2° |
