CMD
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 | 1.40Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.10Å | |
C2 | C3 | sing | 1.38Å | 1.46Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
C3 | C4 | doub | 1.39Å | 1.47Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.10Å | |
C4 | O4 | sing | 1.36Å | 1.34Å | |
C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
O4 | C21 | sing | 1.43Å | 1.53Å | |
C5 | C6 | sing | 1.48Å | 1.49Å | |
C5 | C20 | doub | 1.41Å | 1.36Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | C7 | sing | 1.47Å | 1.49Å | |
C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
C7 | C18 | sing | 1.41Å | 1.49Å | Aromatic |
C8 | O8 | sing | 1.36Å | 1.30Å | |
C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
O8 | HO8 | sing | 0.97Å | 0.95Å | |
C9 | C10 | sing | 1.51Å | 1.58Å | |
C9 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
C10 | O10 | sing | 1.43Å | 1.45Å | |
C10 | C11 | sing | 1.53Å | 1.50Å | |
C10 | H10 | sing | 1.09Å | 1.12Å | |
O10 | C1' | sing | 1.43Å | 1.38Å | |
C11 | C12 | sing | 1.53Å | 1.50Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C12 | O12 | sing | 1.43Å | 1.44Å | |
C12 | C13 | sing | 1.51Å | 1.55Å | |
C12 | C15 | sing | 1.53Å | 1.57Å | |
O12 | HO12 | sing | 0.97Å | 0.95Å | |
C13 | O13 | doub | 1.21Å | 1.23Å | |
C13 | C14 | sing | 1.51Å | 1.53Å | |
C14 | O14 | sing | 1.43Å | 1.47Å | |
C14 | H141 | sing | 1.09Å | 1.12Å | |
C14 | H142 | sing | 1.09Å | 1.11Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
C15 | C16 | sing | 1.51Å | 1.44Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
C17 | O17 | sing | 1.36Å | 1.39Å | |
C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
O17 | HO17 | sing | 0.97Å | 0.95Å | |
C18 | C19 | sing | 1.47Å | 1.44Å | |
C19 | O19 | doub | 1.22Å | 1.22Å | |
C19 | C20 | sing | 1.48Å | 1.46Å | |
C21 | H211 | sing | 1.09Å | 1.11Å | |
C21 | H212 | sing | 1.09Å | 1.11Å | |
C21 | H213 | sing | 1.09Å | 1.11Å | |
C1' | C2' | sing | 1.53Å | 1.50Å | |
C1' | O5' | sing | 1.43Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.53Å | 1.55Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C3' | C4' | sing | 1.53Å | 1.55Å | |
C3' | N3' | sing | 1.47Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.43Å | 1.46Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
O4' | HO4' | sing | 0.97Å | 0.95Å | |
C5' | O5' | sing | 1.43Å | 1.52Å | |
C5' | C6' | sing | 1.53Å | 1.55Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C6' | H6'1 | sing | 1.09Å | 1.12Å | |
C6' | H6'2 | sing | 1.09Å | 1.12Å | |
C6' | H6'3 | sing | 1.09Å | 1.12Å | |
N3' | C33 | sing | 1.47Å | 1.42Å | |
N3' | C53 | sing | 1.47Å | 1.43Å | |
C33 | C23 | sing | 1.53Å | 1.58Å | |
C33 | C73 | sing | 1.47Å | 1.53Å | |
C33 | H33 | sing | 1.09Å | 1.12Å | |
C23 | O16 | sing | 1.43Å | 1.47Å | |
C23 | H231 | sing | 1.09Å | 1.11Å | |
C23 | H232 | sing | 1.09Å | 1.11Å | |
O16 | C63 | sing | 1.43Å | 1.45Å | |
C63 | C53 | sing | 1.53Å | 1.53Å | |
C63 | H631 | sing | 1.09Å | 1.11Å | |
C63 | H632 | sing | 1.09Å | 1.11Å | |
C53 | H531 | sing | 1.09Å | 1.12Å | |
C53 | H532 | sing | 1.09Å | 1.11Å | |
C73 | N73 | trip | 1.14Å | 1.18Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | C20 | 119.0° | 119.9° |
C2 | C1 | H1 | 120.2° | 120.0° |
C1 | C2 | C3 | 121.7° | 120.6° |
C1 | C2 | H2 | 116.9° | 119.6° |
C20 | C1 | H1 | 120.8° | 120.0° |
C1 | C20 | C5 | 120.6° | 119.8° |
C1 | C20 | C19 | 111.9° | 120.6° |
C3 | C2 | H2 | 121.4° | 119.7° |
C2 | C3 | C4 | 118.2° | 120.4° |
C2 | C3 | H3 | 120.5° | 119.8° |
C4 | C3 | H3 | 121.3° | 119.8° |
C3 | C4 | O4 | 123.4° | 120.2° |
C3 | C4 | C5 | 115.8° | 119.7° |
O4 | C4 | C5 | 120.9° | 120.2° |
C4 | O4 | C21 | 115.6° | 106.8° |
C4 | C5 | C6 | 118.8° | 120.6° |
C4 | C5 | C20 | 124.7° | 119.6° |
O4 | C21 | H211 | 115.6° | 109.5° |
O4 | C21 | H212 | 109.9° | 109.5° |
O4 | C21 | H213 | 110.0° | 109.5° |
C6 | C5 | C20 | 116.4° | 119.7° |
C5 | C6 | O6 | 124.4° | 120.4° |
C5 | C6 | C7 | 119.1° | 119.2° |
C5 | C20 | C19 | 127.5° | 119.6° |
O6 | C6 | C7 | 116.5° | 120.4° |
C6 | C7 | C8 | 118.6° | 120.9° |
C6 | C7 | C18 | 121.0° | 119.7° |
C8 | C7 | C18 | 120.3° | 119.4° |
C7 | C8 | O8 | 123.2° | 119.8° |
C7 | C8 | C9 | 117.8° | 120.5° |
C7 | C18 | C17 | 116.2° | 119.4° |
C7 | C18 | C19 | 117.8° | 119.7° |
O8 | C8 | C9 | 119.0° | 119.8° |
C8 | O8 | HO8 | 123.1° | 106.8° |
C8 | C9 | C10 | 115.7° | 117.3° |
C8 | C9 | C16 | 125.2° | 120.1° |
C10 | C9 | C16 | 119.1° | 122.5° |
C9 | C10 | O10 | 102.4° | 109.2° |
C9 | C10 | C11 | 113.9° | 110.7° |
C9 | C10 | H10 | 113.4° | 109.2° |
C9 | C16 | C15 | 126.2° | 122.6° |
C9 | C16 | C17 | 115.3° | 120.1° |
O10 | C10 | C11 | 114.9° | 109.2° |
O10 | C10 | H10 | 112.4° | 109.2° |
C10 | O10 | C1' | 123.2° | 106.8° |
C11 | C10 | H10 | 100.4° | 109.2° |
C10 | C11 | C12 | 114.3° | 108.3° |
C10 | C11 | H111 | 110.5° | 109.7° |
C10 | C11 | H112 | 110.5° | 109.8° |
O10 | C1' | C2' | 112.3° | 109.5° |
O10 | C1' | O5' | 107.4° | 109.4° |
O10 | C1' | H1' | 110.2° | 109.4° |
C12 | C11 | H111 | 110.5° | 109.6° |
C12 | C11 | H112 | 110.4° | 109.7° |
C11 | C12 | O12 | 112.0° | 109.7° |
C11 | C12 | C13 | 109.5° | 109.7° |
C11 | C12 | C15 | 112.2° | 108.3° |
H111 | C11 | H112 | 99.8° | 109.7° |
O12 | C12 | C13 | 104.2° | 109.7° |
O12 | C12 | C15 | 113.1° | 109.7° |
C12 | O12 | HO12 | 111.9° | 106.8° |
C13 | C12 | C15 | 105.2° | 109.7° |
C12 | C13 | O13 | 107.0° | 120.0° |
C12 | C13 | C14 | 123.2° | 120.0° |
C12 | C15 | C16 | 110.4° | 110.7° |
C12 | C15 | H151 | 111.8° | 109.2° |
C12 | C15 | H152 | 111.9° | 109.2° |
O13 | C13 | C14 | 117.7° | 120.0° |
C13 | C14 | O14 | 116.1° | 109.5° |
C13 | C14 | H141 | 109.9° | 109.5° |
C13 | C14 | H142 | 109.9° | 109.5° |
O14 | C14 | H141 | 109.8° | 109.4° |
O14 | C14 | H142 | 109.8° | 109.5° |
C14 | O14 | HO14 | 116.1° | 106.8° |
H141 | C14 | H142 | 100.4° | 109.5° |
C16 | C15 | H151 | 111.9° | 109.2° |
C16 | C15 | H152 | 111.9° | 109.3° |
C15 | C16 | C17 | 118.4° | 117.3° |
H151 | C15 | H152 | 98.5° | 109.2° |
C16 | C17 | O17 | 120.4° | 119.8° |
C16 | C17 | C18 | 125.1° | 120.4° |
O17 | C17 | C18 | 114.5° | 119.8° |
C17 | O17 | HO17 | 120.4° | 106.8° |
C17 | C18 | C19 | 126.0° | 120.8° |
C18 | C19 | O19 | 122.1° | 120.5° |
C18 | C19 | C20 | 118.2° | 119.1° |
O19 | C19 | C20 | 119.7° | 120.4° |
H211 | C21 | H212 | 110.0° | 109.4° |
H211 | C21 | H213 | 110.0° | 109.5° |
H212 | C21 | H213 | 100.3° | 109.5° |
C2' | C1' | O5' | 112.7° | 109.7° |
C2' | C1' | H1' | 104.5° | 109.4° |
C1' | C2' | C3' | 108.6° | 109.0° |
C1' | C2' | H2'1 | 112.5° | 109.6° |
C1' | C2' | H2'2 | 112.5° | 109.5° |
O5' | C1' | H1' | 109.7° | 109.4° |
C1' | O5' | C5' | 111.1° | 107.7° |
C3' | C2' | H2'1 | 112.5° | 109.6° |
C3' | C2' | H2'2 | 112.6° | 109.5° |
C2' | C3' | C4' | 108.0° | 108.6° |
C2' | C3' | N3' | 109.6° | 109.6° |
C2' | C3' | H3' | 110.5° | 109.6° |
H2'1 | C2' | H2'2 | 97.9° | 109.7° |
C4' | C3' | N3' | 109.7° | 109.7° |
C4' | C3' | H3' | 110.3° | 109.6° |
C3' | C4' | O4' | 106.5° | 109.6° |
C3' | C4' | C5' | 110.4° | 109.0° |
C3' | C4' | H4' | 113.6° | 109.6° |
N3' | C3' | H3' | 108.8° | 109.6° |
C3' | N3' | C33 | 107.5° | 106.7° |
C3' | N3' | C53 | 108.5° | 106.7° |
O4' | C4' | C5' | 116.3° | 109.6° |
O4' | C4' | H4' | 107.2° | 109.5° |
C4' | O4' | HO4' | 106.5° | 106.8° |
C5' | C4' | H4' | 103.0° | 109.5° |
C4' | C5' | O5' | 109.4° | 109.7° |
C4' | C5' | C6' | 113.3° | 109.4° |
C4' | C5' | H5' | 104.8° | 109.4° |
O5' | C5' | C6' | 102.0° | 109.4° |
O5' | C5' | H5' | 115.7° | 109.4° |
C6' | C5' | H5' | 111.9° | 109.4° |
C5' | C6' | H6'1 | 113.4° | 109.5° |
C5' | C6' | H6'2 | 110.8° | 109.5° |
C5' | C6' | H6'3 | 110.8° | 109.5° |
H6'1 | C6' | H6'2 | 110.7° | 109.5° |
H6'1 | C6' | H6'3 | 110.7° | 109.5° |
H6'2 | C6' | H6'3 | 99.5° | 109.4° |
C33 | N3' | C53 | 118.6° | 106.6° |
N3' | C33 | C23 | 112.7° | 109.5° |
N3' | C33 | C73 | 105.8° | 109.4° |
N3' | C33 | H33 | 109.2° | 109.4° |
N3' | C53 | C63 | 115.4° | 109.5° |
N3' | C53 | H531 | 110.0° | 109.4° |
N3' | C53 | H532 | 110.0° | 109.5° |
C23 | C33 | C73 | 107.5° | 109.5° |
C23 | C33 | H33 | 107.6° | 109.5° |
C33 | C23 | O16 | 103.9° | 109.7° |
C33 | C23 | H231 | 114.3° | 109.4° |
C33 | C23 | H232 | 114.3° | 109.4° |
C73 | C33 | H33 | 114.2° | 109.5° |
C33 | C73 | N73 | 140.4° | 179.9° |
O16 | C23 | H231 | 114.3° | 109.4° |
O16 | C23 | H232 | 114.4° | 109.4° |
C23 | O16 | C63 | 111.6° | 107.2° |
H231 | C23 | H232 | 96.1° | 109.4° |
O16 | C63 | C53 | 111.3° | 109.7° |
O16 | C63 | H631 | 111.6° | 109.4° |
O16 | C63 | H632 | 111.6° | 109.5° |
C53 | C63 | H631 | 111.5° | 109.4° |
C53 | C63 | H632 | 111.5° | 109.4° |
C63 | C53 | H531 | 110.1° | 109.4° |
C63 | C53 | H532 | 110.1° | 109.5° |
H631 | C63 | H632 | 98.9° | 109.4° |
H531 | C53 | H532 | 100.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | C20 | H1 | 180.0° | 179.9° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 2.4° | 0.1° |
C1 | C2 | C3 | H3 | 177.6° | 180.0° |
C2 | C1 | C20 | C5 | 0.5° | 0.2° |
C2 | C1 | C20 | C19 | 179.1° | 180.0° |
C20 | C1 | C2 | C3 | 1.6° | 0.1° |
C20 | C1 | C2 | H2 | 178.4° | 180.0° |
C1 | C20 | C5 | C4 | 1.8° | 0.4° |
C1 | C20 | C5 | C6 | 179.5° | 179.8° |
C1 | C20 | C5 | C19 | 178.4° | 179.8° |
C1 | C20 | C19 | C18 | 179.3° | 166.2° |
C1 | C20 | C19 | O19 | 1.3° | 13.8° |
H1 | C1 | C2 | C3 | 178.4° | 179.9° |
H1 | C1 | C2 | H2 | 1.6° | 0.1° |
H1 | C1 | C20 | C5 | 179.5° | 179.9° |
H1 | C1 | C20 | C19 | 0.9° | 0.1° |
C2 | C3 | C4 | H3 | 180.0° | 179.9° |
C2 | C3 | C4 | O4 | 179.3° | 179.9° |
C2 | C3 | C4 | C5 | 1.2° | 0.1° |
H2 | C2 | C3 | C4 | 177.5° | 180.0° |
H2 | C2 | C3 | H3 | 2.4° | 0.0° |
C3 | C4 | O4 | C5 | 179.5° | 179.8° |
C3 | C4 | O4 | C21 | 0.0° | 0.0° |
C3 | C4 | C5 | C6 | 178.5° | 179.7° |
C3 | C4 | C5 | C20 | 0.9° | 0.4° |
H3 | C3 | C4 | O4 | 0.7° | 0.0° |
H3 | C3 | C4 | C5 | 178.8° | 179.8° |
O4 | C4 | C5 | C6 | 1.0° | 0.4° |
O4 | C4 | C5 | C20 | 178.6° | 179.8° |
C4 | O4 | C21 | H211 | 180.0° | 180.0° |
C4 | O4 | C21 | H212 | 54.8° | 60.0° |
C4 | O4 | C21 | H213 | 54.7° | 60.0° |
C5 | C4 | O4 | C21 | 179.4° | 179.8° |
C4 | C5 | C6 | C20 | 177.8° | 179.3° |
C4 | C5 | C6 | O6 | 1.7° | 13.3° |
C4 | C5 | C6 | C7 | 179.3° | 166.4° |
C4 | C5 | C20 | C19 | 179.8° | 179.8° |
O4 | C21 | H211 | H212 | 125.2° | 120.0° |
O4 | C21 | H211 | H213 | 125.2° | 120.0° |
O4 | C21 | H212 | H213 | 115.8° | 120.0° |
C5 | C6 | O6 | C7 | 179.0° | 179.7° |
C5 | C6 | C7 | C8 | 179.4° | 165.9° |
C5 | C6 | C7 | C18 | 1.0° | 14.1° |
C6 | C5 | C20 | C19 | 2.2° | 0.5° |
C20 | C5 | C6 | O6 | 179.5° | 166.1° |
C20 | C5 | C6 | C7 | 1.5° | 14.3° |
C5 | C20 | C19 | C18 | 2.2° | 13.5° |
C5 | C20 | C19 | O19 | 179.8° | 166.4° |
O6 | C6 | C7 | C8 | 0.3° | 13.7° |
O6 | C6 | C7 | C18 | 179.9° | 166.2° |
C6 | C7 | C8 | C18 | 179.6° | 180.0° |
C6 | C7 | C8 | O8 | 0.8° | 0.0° |
C6 | C7 | C8 | C9 | 178.5° | 179.8° |
C6 | C7 | C18 | C17 | 178.3° | 179.9° |
C6 | C7 | C18 | C19 | 1.0° | 0.1° |
C7 | C8 | O8 | C9 | 179.3° | 179.8° |
C7 | C8 | O8 | HO8 | 180.0° | 85.0° |
C7 | C8 | C9 | C10 | 179.4° | 179.6° |
C7 | C8 | C9 | C16 | 1.9° | 0.4° |
C8 | C7 | C18 | C17 | 2.1° | 0.0° |
C8 | C7 | C18 | C19 | 179.4° | 179.9° |
C18 | C7 | C8 | O8 | 178.8° | 180.0° |
C18 | C7 | C8 | C9 | 1.9° | 0.2° |
C7 | C18 | C17 | C16 | 2.3° | 0.1° |
C7 | C18 | C17 | O17 | 179.5° | 179.9° |
C7 | C18 | C17 | C19 | 177.1° | 180.0° |
C7 | C18 | C19 | O19 | 179.4° | 166.3° |
C7 | C18 | C19 | C20 | 1.4° | 13.7° |
O8 | C8 | C9 | C10 | 0.0° | 0.2° |
O8 | C8 | C9 | C16 | 178.7° | 179.8° |
C9 | C8 | O8 | HO8 | 0.6° | 94.8° |
C8 | C9 | C10 | C16 | 178.8° | 180.0° |
C8 | C9 | C10 | O10 | 58.6° | 42.1° |
C8 | C9 | C10 | C11 | 176.7° | 162.4° |
C8 | C9 | C10 | H10 | 62.8° | 77.3° |
C8 | C9 | C16 | C15 | 178.2° | 179.5° |
C8 | C9 | C16 | C17 | 2.0° | 0.3° |
C9 | C10 | O10 | C11 | 124.0° | 121.2° |
C9 | C10 | O10 | H10 | 122.0° | 119.4° |
C9 | C10 | C11 | H10 | 121.5° | 120.3° |
C9 | C10 | O10 | C1' | 152.6° | 130.4° |
C9 | C10 | C11 | C12 | 33.1° | 51.0° |
C9 | C10 | C11 | H111 | 92.2° | 68.6° |
C9 | C10 | C11 | H112 | 158.4° | 170.8° |
C10 | C9 | C16 | C15 | 0.4° | 0.5° |
C10 | C9 | C16 | C17 | 179.3° | 179.6° |
C16 | C9 | C10 | O10 | 120.2° | 137.9° |
C16 | C9 | C10 | C11 | 4.5° | 17.6° |
C16 | C9 | C10 | H10 | 118.4° | 102.7° |
C9 | C16 | C15 | C12 | 21.4° | 17.7° |
C9 | C16 | C15 | C17 | 179.7° | 179.8° |
C9 | C16 | C15 | H151 | 103.8° | 102.5° |
C9 | C16 | C15 | H152 | 146.7° | 138.0° |
C9 | C16 | C17 | O17 | 179.7° | 179.9° |
C9 | C16 | C17 | C18 | 2.3° | 0.1° |
O10 | C10 | C11 | H10 | 120.8° | 119.4° |
O10 | C10 | C11 | C12 | 84.6° | 171.3° |
O10 | C10 | C11 | H111 | 150.1° | 51.6° |
O10 | C10 | C11 | H112 | 40.7° | 68.9° |
C10 | O10 | C1' | C2' | 162.1° | 166.7° |
C10 | O10 | C1' | O5' | 73.4° | 73.0° |
C10 | O10 | C1' | H1' | 46.0° | 46.8° |
C11 | C10 | O10 | C1' | 83.4° | 108.4° |
C10 | C11 | C12 | H111 | 125.3° | 119.6° |
C10 | C11 | C12 | H112 | 125.3° | 119.8° |
C10 | C11 | H111 | H112 | 116.3° | 120.6° |
C10 | C11 | C12 | O12 | 71.9° | 170.5° |
C10 | C11 | C12 | C13 | 173.0° | 50.0° |
C10 | C11 | C12 | C15 | 56.5° | 69.7° |
H10 | C10 | O10 | C1' | 30.6° | 11.0° |
H10 | C10 | C11 | C12 | 154.6° | 69.3° |
H10 | C10 | C11 | H111 | 29.3° | 171.0° |
H10 | C10 | C11 | H112 | 80.2° | 50.4° |
O10 | C1' | C2' | O5' | 121.4° | 120.1° |
O10 | C1' | C2' | H1' | 119.4° | 119.9° |
O10 | C1' | O5' | H1' | 119.7° | 119.8° |
O10 | C1' | C2' | C3' | 62.4° | 58.8° |
O10 | C1' | C2' | H2'1 | 172.4° | 178.7° |
O10 | C1' | C2' | H2'2 | 62.9° | 61.0° |
O10 | C1' | O5' | C5' | 66.0° | 52.4° |
C12 | C11 | H111 | H112 | 116.2° | 120.6° |
C11 | C12 | O12 | C13 | 118.3° | 120.5° |
C11 | C12 | O12 | C15 | 128.0° | 118.9° |
C11 | C12 | C13 | C15 | 120.8° | 118.9° |
C11 | C12 | O12 | HO12 | 180.0° | 178.9° |
C11 | C12 | C13 | O13 | 77.4° | 95.0° |
C11 | C12 | C13 | C14 | 64.0° | 85.0° |
C11 | C12 | C15 | C16 | 49.0° | 51.1° |
C11 | C12 | C15 | H151 | 76.2° | 69.2° |
C11 | C12 | C15 | H152 | 174.3° | 171.4° |
H111 | C11 | C12 | O12 | 162.8° | 69.8° |
H111 | C11 | C12 | C13 | 47.7° | 169.6° |
H111 | C11 | C12 | C15 | 68.8° | 49.9° |
H112 | C11 | C12 | O12 | 53.4° | 50.7° |
H112 | C11 | C12 | C13 | 61.7° | 69.8° |
H112 | C11 | C12 | C15 | 178.2° | 170.5° |
O12 | C12 | C13 | C15 | 119.2° | 120.6° |
O12 | C12 | C13 | O13 | 162.6° | 144.4° |
O12 | C12 | C13 | C14 | 56.0° | 35.6° |
O12 | C12 | C15 | C16 | 78.8° | 170.8° |
O12 | C12 | C15 | H151 | 155.9° | 50.5° |
O12 | C12 | C15 | H152 | 46.5° | 68.9° |
C13 | C12 | O12 | HO12 | 61.7° | 60.5° |
C12 | C13 | O13 | C14 | 143.9° | 180.0° |
C12 | C13 | C14 | O14 | 159.3° | 180.0° |
C12 | C13 | C14 | H141 | 75.4° | 60.0° |
C12 | C13 | C14 | H142 | 34.1° | 60.0° |
C13 | C12 | C15 | C16 | 168.1° | 68.6° |
C13 | C12 | C15 | H151 | 42.8° | 171.1° |
C13 | C12 | C15 | H152 | 66.6° | 51.7° |
C15 | C12 | O12 | HO12 | 52.1° | 60.0° |
C15 | C12 | C13 | O13 | 43.4° | 23.9° |
C15 | C12 | C13 | C14 | 175.2° | 156.2° |
C12 | C15 | C16 | H151 | 125.2° | 120.3° |
C12 | C15 | C16 | H152 | 125.3° | 120.3° |
C12 | C15 | H151 | H152 | 117.8° | 119.4° |
C12 | C15 | C16 | C17 | 158.9° | 162.4° |
O13 | C13 | C14 | O14 | 63.0° | 0.0° |
O13 | C13 | C14 | H141 | 62.3° | 120.0° |
O13 | C13 | C14 | H142 | 171.8° | 120.0° |
C13 | C14 | O14 | H141 | 125.3° | 120.0° |
C13 | C14 | O14 | H142 | 125.3° | 120.0° |
C13 | C14 | H141 | H142 | 115.7° | 120.0° |
C13 | C14 | O14 | HO14 | 179.9° | 180.0° |
O14 | C14 | H141 | H142 | 115.5° | 120.0° |
H141 | C14 | O14 | HO14 | 54.7° | 60.0° |
H142 | C14 | O14 | HO14 | 54.8° | 60.0° |
C16 | C15 | H151 | H152 | 117.8° | 119.5° |
C15 | C16 | C17 | O17 | 0.0° | 0.2° |
C15 | C16 | C17 | C18 | 178.0° | 179.8° |
H151 | C15 | C16 | C17 | 75.9° | 77.3° |
H152 | C15 | C16 | C17 | 33.6° | 42.1° |
C16 | C17 | O17 | C18 | 178.2° | 180.0° |
C16 | C17 | O17 | HO17 | 179.9° | 90.0° |
C16 | C17 | C18 | C19 | 179.4° | 179.9° |
O17 | C17 | C18 | C19 | 2.5° | 0.1° |
C18 | C17 | O17 | HO17 | 1.8° | 90.0° |
C17 | C18 | C19 | O19 | 3.6° | 13.8° |
C17 | C18 | C19 | C20 | 178.5° | 166.3° |
C18 | C19 | O19 | C20 | 177.9° | 180.0° |
H211 | C21 | H212 | H213 | 115.9° | 120.0° |
C2' | C1' | O5' | H1' | 116.1° | 120.0° |
C1' | C2' | C3' | H2'1 | 125.2° | 119.9° |
C1' | C2' | C3' | H2'2 | 125.3° | 119.8° |
C1' | C2' | H2'1 | H2'2 | 118.5° | 120.2° |
C1' | C2' | C3' | C4' | 58.4° | 53.8° |
C1' | C2' | C3' | N3' | 177.8° | 173.7° |
C1' | C2' | C3' | H3' | 62.3° | 66.0° |
C2' | C1' | O5' | C5' | 58.2° | 67.7° |
O5' | C1' | C2' | C3' | 59.1° | 61.3° |
O5' | C1' | C2' | H2'1 | 66.2° | 58.6° |
O5' | C1' | C2' | H2'2 | 175.7° | 179.0° |
C1' | O5' | C5' | C4' | 56.9° | 67.6° |
C1' | O5' | C5' | C6' | 177.2° | 172.3° |
C1' | O5' | C5' | H5' | 61.1° | 52.4° |
H1' | C1' | C2' | C3' | 178.2° | 178.7° |
H1' | C1' | C2' | H2'1 | 53.0° | 61.4° |
H1' | C1' | C2' | H2'2 | 56.5° | 58.9° |
H1' | C1' | O5' | C5' | 174.3° | 172.3° |
C3' | C2' | H2'1 | H2'2 | 118.5° | 120.2° |
C2' | C3' | C4' | N3' | 119.3° | 119.8° |
C2' | C3' | C4' | H3' | 120.8° | 119.8° |
C2' | C3' | N3' | H3' | 120.9° | 120.3° |
C2' | C3' | C4' | O4' | 67.0° | 66.2° |
C2' | C3' | C4' | C5' | 60.2° | 53.8° |
C2' | C3' | C4' | H4' | 175.2° | 173.7° |
C2' | C3' | N3' | C33 | 170.3° | 157.0° |
C2' | C3' | N3' | C53 | 60.2° | 43.3° |
H2'1 | C2' | C3' | C4' | 66.8° | 66.1° |
H2'1 | C2' | C3' | N3' | 52.6° | 53.8° |
H2'1 | C2' | C3' | H3' | 172.5° | 174.1° |
H2'2 | C2' | C3' | C4' | 176.3° | 173.5° |
H2'2 | C2' | C3' | N3' | 56.9° | 66.6° |
H2'2 | C2' | C3' | H3' | 63.0° | 53.8° |
C4' | C3' | N3' | H3' | 120.8° | 120.4° |
C3' | C4' | O4' | C5' | 123.5° | 119.6° |
C3' | C4' | O4' | H4' | 121.9° | 120.2° |
C3' | C4' | C5' | H4' | 121.6° | 119.9° |
C3' | C4' | O4' | HO4' | 180.0° | 180.0° |
C3' | C4' | C5' | O5' | 58.8° | 61.3° |
C3' | C4' | C5' | C6' | 171.9° | 178.7° |
C3' | C4' | C5' | H5' | 65.8° | 58.8° |
C4' | C3' | N3' | C33 | 52.0° | 83.8° |
C4' | C3' | N3' | C53 | 178.6° | 162.5° |
N3' | C3' | C4' | O4' | 52.3° | 53.6° |
N3' | C3' | C4' | C5' | 179.5° | 173.5° |
N3' | C3' | C4' | H4' | 65.4° | 66.6° |
C3' | N3' | C33 | C53 | 123.4° | 113.7° |
C3' | N3' | C33 | C23 | 133.5° | 173.0° |
C3' | N3' | C33 | C73 | 109.3° | 66.9° |
C3' | N3' | C33 | H33 | 14.0° | 53.0° |
C3' | N3' | C53 | C63 | 165.3° | 173.1° |
C3' | N3' | C53 | H531 | 69.4° | 67.0° |
C3' | N3' | C53 | H532 | 40.0° | 52.9° |
H3' | C3' | C4' | O4' | 172.2° | 174.1° |
H3' | C3' | C4' | C5' | 60.7° | 66.0° |
H3' | C3' | C4' | H4' | 54.4° | 53.9° |
H3' | C3' | N3' | C33 | 68.8° | 36.7° |
H3' | C3' | N3' | C53 | 60.7° | 77.0° |
O4' | C4' | C5' | H4' | 117.0° | 120.1° |
O4' | C4' | C5' | O5' | 62.6° | 58.7° |
O4' | C4' | C5' | C6' | 50.4° | 61.4° |
O4' | C4' | C5' | H5' | 172.7° | 178.7° |
C5' | C4' | O4' | HO4' | 56.4° | 60.4° |
C4' | C5' | O5' | C6' | 120.3° | 120.1° |
C4' | C5' | O5' | H5' | 118.0° | 120.0° |
C4' | C5' | C6' | H5' | 118.3° | 119.9° |
C4' | C5' | C6' | H6'1 | 180.0° | 180.0° |
C4' | C5' | C6' | H6'2 | 54.8° | 60.0° |
C4' | C5' | C6' | H6'3 | 54.8° | 60.0° |
H4' | C4' | O4' | HO4' | 58.1° | 59.7° |
H4' | C4' | C5' | O5' | 179.6° | 178.8° |
H4' | C4' | C5' | C6' | 66.5° | 58.8° |
H4' | C4' | C5' | H5' | 55.8° | 61.1° |
O5' | C5' | C6' | H5' | 124.2° | 119.9° |
O5' | C5' | C6' | H6'1 | 62.5° | 59.7° |
O5' | C5' | C6' | H6'2 | 62.7° | 60.3° |
O5' | C5' | C6' | H6'3 | 172.3° | 179.8° |
C5' | C6' | H6'1 | H6'2 | 125.3° | 120.0° |
C5' | C6' | H6'1 | H6'3 | 125.3° | 120.0° |
C5' | C6' | H6'2 | H6'3 | 116.7° | 120.0° |
H5' | C5' | C6' | H6'1 | 61.7° | 60.2° |
H5' | C5' | C6' | H6'2 | 173.0° | 179.9° |
H5' | C5' | C6' | H6'3 | 63.5° | 59.9° |
H6'1 | C6' | H6'2 | H6'3 | 116.6° | 120.0° |
N3' | C33 | C23 | C73 | 116.2° | 120.0° |
N3' | C33 | C23 | H33 | 120.4° | 120.0° |
N3' | C33 | C73 | H33 | 120.1° | 119.9° |
N3' | C33 | C23 | O16 | 44.5° | 62.9° |
N3' | C33 | C23 | H231 | 80.8° | 57.2° |
N3' | C33 | C23 | H232 | 169.8° | 177.0° |
C33 | N3' | C53 | C63 | 42.3° | 59.3° |
C33 | N3' | C53 | H531 | 167.6° | 179.3° |
C33 | N3' | C53 | H532 | 82.9° | 60.8° |
N3' | C33 | C73 | N73 | 75.8° | 178.7° |
C53 | N3' | C33 | C23 | 10.0° | 59.3° |
C53 | N3' | C33 | C73 | 127.2° | 179.3° |
C53 | N3' | C33 | H33 | 109.5° | 60.8° |
N3' | C53 | C63 | O16 | 15.3° | 62.9° |
N3' | C53 | C63 | H531 | 125.2° | 120.0° |
N3' | C53 | C63 | H532 | 125.2° | 120.1° |
N3' | C53 | C63 | H631 | 140.6° | 57.1° |
N3' | C53 | C63 | H632 | 109.9° | 177.0° |
N3' | C53 | H531 | H532 | 115.8° | 120.0° |
C23 | C33 | C73 | H33 | 119.3° | 120.0° |
C33 | C23 | O16 | H231 | 125.3° | 120.1° |
C33 | C23 | O16 | H232 | 125.2° | 120.1° |
C33 | C23 | H231 | H232 | 120.1° | 119.9° |
C33 | C23 | O16 | C63 | 72.6° | 63.1° |
C23 | C33 | C73 | N73 | 44.8° | 61.2° |
C73 | C33 | C23 | O16 | 71.7° | 177.2° |
C73 | C33 | C23 | H231 | 163.0° | 62.8° |
C73 | C33 | C23 | H232 | 53.6° | 57.0° |
H33 | C33 | C23 | O16 | 164.9° | 57.1° |
H33 | C33 | C23 | H231 | 39.6° | 177.2° |
H33 | C33 | C23 | H232 | 69.8° | 63.0° |
H33 | C33 | C73 | N73 | 164.1° | 58.8° |
O16 | C23 | H231 | H232 | 120.3° | 119.9° |
C23 | O16 | C63 | C53 | 42.7° | 63.1° |
C23 | O16 | C63 | H631 | 82.6° | 56.9° |
C23 | O16 | C63 | H632 | 167.9° | 176.8° |
H231 | C23 | O16 | C63 | 52.7° | 57.0° |
H232 | C23 | O16 | C63 | 162.2° | 176.8° |
O16 | C63 | C53 | H631 | 125.3° | 120.0° |
O16 | C63 | C53 | H632 | 125.3° | 120.1° |
O16 | C63 | H631 | H632 | 117.5° | 119.9° |
O16 | C63 | C53 | H531 | 140.6° | 177.1° |
O16 | C63 | C53 | H532 | 109.9° | 57.2° |
C53 | C63 | H631 | H632 | 117.4° | 119.9° |
C63 | C53 | H531 | H532 | 115.9° | 120.0° |
H631 | C63 | C53 | H531 | 94.1° | 62.8° |
H631 | C63 | C53 | H532 | 15.4° | 177.3° |
H632 | C63 | C53 | H531 | 15.3° | 57.0° |
H632 | C63 | C53 | H532 | 124.9° | 62.9° |