RO1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O6 | S1 | doub | 1.42Å | 1.46Å | |
S1 | O5 | doub | 1.42Å | 1.46Å | |
S1 | C37 | sing | 1.81Å | 1.82Å | |
S1 | C29 | sing | 1.81Å | 1.74Å | |
C37 | H371 | sing | 1.09Å | 1.10Å | |
C37 | H372 | sing | 1.09Å | 1.10Å | |
C37 | H373 | sing | 1.09Å | 1.10Å | |
C29 | C33 | sing | 1.53Å | 1.53Å | |
C29 | C34 | sing | 1.53Å | 1.54Å | |
C29 | C26 | sing | 1.53Å | 1.55Å | |
C33 | H331 | sing | 1.09Å | 1.10Å | |
C33 | H332 | sing | 1.09Å | 1.10Å | |
C33 | H333 | sing | 1.09Å | 1.10Å | |
C34 | H341 | sing | 1.09Å | 1.10Å | |
C34 | H342 | sing | 1.09Å | 1.10Å | |
C34 | H343 | sing | 1.09Å | 1.10Å | |
C26 | N5 | sing | 1.47Å | 1.46Å | |
C26 | C24 | sing | 1.51Å | 1.52Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
N5 | C32 | sing | 1.35Å | 1.33Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
C32 | O4 | doub | 1.21Å | 1.23Å | |
C32 | C36 | sing | 1.51Å | 1.51Å | |
C36 | O7 | sing | 1.43Å | 1.43Å | |
C36 | H361 | sing | 1.09Å | 1.10Å | |
C36 | H362 | sing | 1.09Å | 1.10Å | |
O7 | C1 | sing | 1.36Å | 1.38Å | |
C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C1 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | H4 | sing | 1.08Å | 1.08Å | |
C3 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
N1 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C24 | O3 | doub | 1.21Å | 1.23Å | |
C24 | N4 | sing | 1.35Å | 1.35Å | |
N4 | C15 | sing | 1.46Å | 1.47Å | |
N4 | HN4 | sing | 0.97Å | 1.00Å | |
C15 | C19 | sing | 1.53Å | 1.54Å | |
C15 | C12 | sing | 1.51Å | 1.53Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C19 | C25 | sing | 1.51Å | 1.51Å | |
C19 | H191 | sing | 1.09Å | 1.10Å | |
C19 | H192 | sing | 1.09Å | 1.10Å | |
C25 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C30 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C35 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
C35 | H35 | sing | 1.08Å | 1.08Å | |
C31 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C12 | O2 | doub | 1.21Å | 1.43Å | |
C12 | C8 | sing | 1.51Å | 1.53Å | |
C8 | N2 | sing | 1.47Å | 1.47Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
N2 | C6 | sing | 1.47Å | 1.47Å | |
N2 | C7 | sing | 1.47Å | 1.47Å | |
C6 | C10 | sing | 1.51Å | 1.50Å | |
C6 | C9 | sing | 1.53Å | 1.53Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C10 | O1 | doub | 1.21Å | 1.23Å | |
C10 | N3 | sing | 1.35Å | 1.33Å | |
N3 | C17 | sing | 1.46Å | 1.45Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C17 | C23 | sing | 1.53Å | 1.53Å | |
C17 | C22 | sing | 1.53Å | 1.53Å | |
C17 | C21 | sing | 1.53Å | 1.53Å | |
C23 | H231 | sing | 1.09Å | 1.10Å | |
C23 | H232 | sing | 1.09Å | 1.10Å | |
C23 | H233 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C22 | H223 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C21 | H213 | sing | 1.09Å | 1.10Å | |
C9 | C13 | sing | 1.53Å | 1.51Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C13 | C11 | sing | 1.53Å | 1.52Å | |
C13 | C16 | sing | 1.53Å | 1.52Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C11 | C14 | sing | 1.52Å | 1.52Å | |
C11 | C7 | sing | 1.53Å | 1.53Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C14 | C18 | sing | 1.53Å | 1.52Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C16 | C20 | sing | 1.53Å | 1.52Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C20 | C18 | sing | 1.53Å | 1.53Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | S1 | O5 | 123.1° | 119.6° |
O6 | S1 | C37 | 108.1° | 109.0° |
O6 | S1 | C29 | 107.1° | 109.0° |
O5 | S1 | C37 | 105.8° | 109.0° |
O5 | S1 | C29 | 104.6° | 109.0° |
C37 | S1 | C29 | 107.2° | 99.4° |
S1 | C37 | H371 | 109.5° | 109.5° |
S1 | C37 | H372 | 109.5° | 109.4° |
S1 | C37 | H373 | 109.5° | 109.4° |
S1 | C29 | C33 | 105.9° | 109.5° |
S1 | C29 | C34 | 108.1° | 109.5° |
S1 | C29 | C26 | 113.8° | 109.5° |
H371 | C37 | H372 | 109.5° | 109.5° |
H371 | C37 | H373 | 109.4° | 109.5° |
H372 | C37 | H373 | 109.5° | 109.5° |
C33 | C29 | C34 | 110.3° | 109.5° |
C33 | C29 | C26 | 107.3° | 109.4° |
C29 | C33 | H331 | 109.4° | 109.5° |
C29 | C33 | H332 | 109.5° | 109.5° |
C29 | C33 | H333 | 109.5° | 109.5° |
C34 | C29 | C26 | 111.3° | 109.4° |
C29 | C34 | H341 | 109.5° | 109.5° |
C29 | C34 | H342 | 109.5° | 109.5° |
C29 | C34 | H343 | 109.5° | 109.5° |
C29 | C26 | N5 | 112.0° | 109.4° |
C29 | C26 | C24 | 113.1° | 109.5° |
C29 | C26 | H26 | 105.4° | 109.5° |
H331 | C33 | H332 | 109.5° | 109.5° |
H331 | C33 | H333 | 109.4° | 109.5° |
H332 | C33 | H333 | 109.5° | 109.5° |
H341 | C34 | H342 | 109.5° | 109.4° |
H341 | C34 | H343 | 109.4° | 109.5° |
H342 | C34 | H343 | 109.5° | 109.4° |
N5 | C26 | C24 | 110.2° | 109.5° |
N5 | C26 | H26 | 108.6° | 109.4° |
C26 | N5 | C32 | 118.7° | 120.0° |
C26 | N5 | HN5 | 120.6° | 120.0° |
C24 | C26 | H26 | 107.4° | 109.5° |
C26 | C24 | O3 | 120.9° | 120.0° |
C26 | C24 | N4 | 116.4° | 120.0° |
C32 | N5 | HN5 | 120.7° | 120.0° |
N5 | C32 | O4 | 123.3° | 120.0° |
N5 | C32 | C36 | 117.0° | 120.0° |
O4 | C32 | C36 | 119.7° | 120.0° |
C32 | C36 | O7 | 109.9° | 109.4° |
C32 | C36 | H361 | 109.2° | 109.5° |
C32 | C36 | H362 | 109.4° | 109.5° |
O7 | C36 | H361 | 109.3° | 109.5° |
O7 | C36 | H362 | 109.3° | 109.5° |
C36 | O7 | C1 | 120.9° | 106.8° |
H361 | C36 | H362 | 109.8° | 109.4° |
O7 | C1 | C2 | 121.0° | 120.5° |
O7 | C1 | C5 | 120.0° | 120.5° |
C2 | C1 | C5 | 119.0° | 119.0° |
C1 | C2 | C4 | 119.0° | 118.4° |
C1 | C2 | H2 | 120.5° | 120.8° |
C1 | C5 | N1 | 120.6° | 120.7° |
C1 | C5 | H5 | 119.7° | 119.6° |
C4 | C2 | H2 | 120.5° | 120.9° |
C2 | C4 | C3 | 119.8° | 119.2° |
C2 | C4 | H4 | 120.1° | 120.3° |
C3 | C4 | H4 | 120.1° | 120.4° |
C4 | C3 | N1 | 120.2° | 120.9° |
C4 | C3 | H3 | 119.9° | 119.5° |
N1 | C3 | H3 | 119.9° | 119.6° |
C3 | N1 | C5 | 121.3° | 121.8° |
N1 | C5 | H5 | 119.7° | 119.7° |
O3 | C24 | N4 | 122.6° | 120.0° |
C24 | N4 | C15 | 123.1° | 120.0° |
C24 | N4 | HN4 | 118.4° | 120.0° |
C15 | N4 | HN4 | 118.5° | 120.0° |
N4 | C15 | C19 | 109.4° | 109.5° |
N4 | C15 | C12 | 106.2° | 109.5° |
N4 | C15 | H15 | 112.5° | 109.5° |
C19 | C15 | C12 | 111.7° | 109.5° |
C19 | C15 | H15 | 107.1° | 109.4° |
C15 | C19 | C25 | 111.9° | 109.5° |
C15 | C19 | H191 | 108.1° | 109.4° |
C15 | C19 | H192 | 108.7° | 109.4° |
C12 | C15 | H15 | 110.2° | 109.4° |
C15 | C12 | O2 | 108.6° | 120.0° |
C15 | C12 | C8 | 112.6° | 120.0° |
C25 | C19 | H191 | 108.1° | 109.5° |
C25 | C19 | H192 | 108.6° | 109.5° |
C19 | C25 | C27 | 120.0° | 120.0° |
C19 | C25 | C28 | 120.2° | 120.0° |
H191 | C19 | H192 | 111.4° | 109.5° |
C27 | C25 | C28 | 119.8° | 120.0° |
C25 | C27 | C30 | 119.9° | 120.0° |
C25 | C27 | H27 | 120.0° | 119.9° |
C25 | C28 | C31 | 120.2° | 120.0° |
C25 | C28 | H28 | 119.9° | 120.0° |
C30 | C27 | H27 | 120.1° | 120.0° |
C27 | C30 | C35 | 120.0° | 120.0° |
C27 | C30 | H30 | 120.0° | 120.0° |
C35 | C30 | H30 | 120.0° | 120.0° |
C30 | C35 | C31 | 120.1° | 120.0° |
C30 | C35 | H35 | 120.0° | 120.0° |
C31 | C35 | H35 | 119.9° | 120.1° |
C35 | C31 | C28 | 120.0° | 120.1° |
C35 | C31 | H31 | 120.0° | 120.0° |
C28 | C31 | H31 | 120.0° | 119.9° |
C31 | C28 | H28 | 119.9° | 120.0° |
O2 | C12 | C8 | 108.3° | 120.0° |
C12 | C8 | N2 | 109.9° | 109.4° |
C12 | C8 | H81 | 109.2° | 109.5° |
C12 | C8 | H82 | 109.3° | 109.5° |
N2 | C8 | H81 | 109.3° | 109.5° |
N2 | C8 | H82 | 109.3° | 109.4° |
C8 | N2 | C6 | 109.2° | 106.0° |
C8 | N2 | C7 | 108.3° | 106.7° |
H81 | C8 | H82 | 109.8° | 109.5° |
C6 | N2 | C7 | 111.3° | 106.9° |
N2 | C6 | C10 | 115.2° | 109.4° |
N2 | C6 | C9 | 107.8° | 109.8° |
N2 | C6 | H6 | 105.7° | 109.3° |
N2 | C7 | C11 | 109.7° | 109.2° |
N2 | C7 | H71 | 109.3° | 109.0° |
N2 | C7 | H72 | 109.4° | 110.2° |
C10 | C6 | C9 | 106.1° | 109.4° |
C10 | C6 | H6 | 107.4° | 109.4° |
C6 | C10 | O1 | 121.4° | 120.0° |
C6 | C10 | N3 | 113.5° | 120.0° |
C9 | C6 | H6 | 114.9° | 109.4° |
C6 | C9 | C13 | 109.8° | 109.1° |
C6 | C9 | H91 | 109.3° | 109.5° |
C6 | C9 | H92 | 109.4° | 109.5° |
O1 | C10 | N3 | 125.1° | 120.0° |
C10 | N3 | C17 | 125.2° | 120.0° |
C10 | N3 | HN3 | 117.4° | 120.0° |
C17 | N3 | HN3 | 117.4° | 120.0° |
N3 | C17 | C23 | 109.9° | 109.5° |
N3 | C17 | C22 | 108.5° | 109.5° |
N3 | C17 | C21 | 109.3° | 109.5° |
C23 | C17 | C22 | 108.7° | 109.5° |
C23 | C17 | C21 | 110.8° | 109.4° |
C17 | C23 | H231 | 109.5° | 109.4° |
C17 | C23 | H232 | 109.5° | 109.5° |
C17 | C23 | H233 | 109.5° | 109.4° |
C22 | C17 | C21 | 109.6° | 109.5° |
C17 | C22 | H221 | 109.5° | 109.4° |
C17 | C22 | H222 | 109.5° | 109.4° |
C17 | C22 | H223 | 109.5° | 109.4° |
C17 | C21 | H211 | 109.5° | 109.5° |
C17 | C21 | H212 | 109.4° | 109.5° |
C17 | C21 | H213 | 109.5° | 109.5° |
H231 | C23 | H232 | 109.5° | 109.5° |
H231 | C23 | H233 | 109.4° | 109.5° |
H232 | C23 | H233 | 109.4° | 109.5° |
H221 | C22 | H222 | 109.5° | 109.5° |
H221 | C22 | H223 | 109.5° | 109.5° |
H222 | C22 | H223 | 109.5° | 109.5° |
H211 | C21 | H212 | 109.5° | 109.5° |
H211 | C21 | H213 | 109.5° | 109.5° |
H212 | C21 | H213 | 109.5° | 109.5° |
C13 | C9 | H91 | 109.3° | 109.5° |
C13 | C9 | H92 | 109.4° | 109.5° |
C9 | C13 | C11 | 109.9° | 109.0° |
C9 | C13 | C16 | 111.6° | 110.1° |
C9 | C13 | H13 | 108.6° | 109.3° |
H91 | C9 | H92 | 109.7° | 109.6° |
C11 | C13 | C16 | 111.7° | 109.8° |
C11 | C13 | H13 | 108.4° | 109.3° |
C13 | C11 | C14 | 112.2° | 110.1° |
C13 | C11 | C7 | 111.0° | 108.3° |
C13 | C11 | H11 | 107.1° | 110.3° |
C16 | C13 | H13 | 106.6° | 109.3° |
C13 | C16 | C20 | 112.6° | 109.8° |
C13 | C16 | H161 | 107.8° | 109.4° |
C13 | C16 | H162 | 108.5° | 109.4° |
C14 | C11 | C7 | 111.2° | 108.9° |
C14 | C11 | H11 | 106.9° | 109.6° |
C11 | C14 | C18 | 110.4° | 109.5° |
C11 | C14 | H141 | 108.9° | 109.6° |
C11 | C14 | H142 | 109.2° | 109.6° |
C7 | C11 | H11 | 108.2° | 109.7° |
C11 | C7 | H71 | 109.4° | 109.5° |
C11 | C7 | H72 | 109.4° | 109.4° |
C18 | C14 | H141 | 108.9° | 109.4° |
C18 | C14 | H142 | 109.1° | 109.4° |
C14 | C18 | C20 | 111.1° | 109.4° |
C14 | C18 | H181 | 108.6° | 109.5° |
C14 | C18 | H182 | 108.9° | 109.5° |
H141 | C14 | H142 | 110.2° | 109.4° |
H71 | C7 | H72 | 109.6° | 109.5° |
C20 | C16 | H161 | 107.8° | 109.4° |
C20 | C16 | H162 | 108.4° | 109.4° |
C16 | C20 | C18 | 111.5° | 109.2° |
C16 | C20 | H201 | 108.3° | 109.5° |
C16 | C20 | H202 | 108.8° | 109.5° |
H161 | C16 | H162 | 111.9° | 109.4° |
C18 | C20 | H201 | 108.3° | 109.5° |
C18 | C20 | H202 | 108.8° | 109.5° |
C20 | C18 | H181 | 108.6° | 109.5° |
C20 | C18 | H182 | 108.9° | 109.5° |
H201 | C20 | H202 | 111.1° | 109.6° |
H181 | C18 | H182 | 110.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | S1 | O5 | C37 | 124.8° | 126.3° |
O6 | S1 | O5 | C29 | 122.2° | 126.2° |
O6 | S1 | C37 | C29 | 115.1° | 114.0° |
O6 | S1 | C37 | H371 | 134.8° | 173.7° |
O6 | S1 | C37 | H372 | 105.2° | 66.4° |
O6 | S1 | C37 | H373 | 14.8° | 53.6° |
O6 | S1 | C29 | C33 | 74.7° | 57.2° |
O6 | S1 | C29 | C34 | 167.0° | 62.9° |
O6 | S1 | C29 | C26 | 42.8° | 177.1° |
O5 | S1 | C37 | C29 | 111.3° | 113.9° |
O5 | S1 | C37 | H371 | 1.2° | 54.2° |
O5 | S1 | C37 | H372 | 121.2° | 65.8° |
O5 | S1 | C37 | H373 | 118.8° | 174.2° |
O5 | S1 | C29 | C33 | 57.4° | 170.7° |
O5 | S1 | C29 | C34 | 60.9° | 69.2° |
O5 | S1 | C29 | C26 | 174.9° | 50.8° |
S1 | C37 | H371 | H372 | 120.0° | 120.0° |
S1 | C37 | H371 | H373 | 120.0° | 120.0° |
S1 | C37 | H372 | H373 | 120.1° | 120.0° |
C37 | S1 | C29 | C33 | 169.5° | 56.8° |
C37 | S1 | C29 | C34 | 51.2° | 176.9° |
C37 | S1 | C29 | C26 | 73.0° | 63.1° |
C29 | S1 | C37 | H371 | 110.0° | 59.7° |
C29 | S1 | C37 | H372 | 9.9° | 179.7° |
C29 | S1 | C37 | H373 | 130.0° | 60.3° |
S1 | C29 | C33 | C34 | 116.8° | 120.1° |
S1 | C29 | C33 | C26 | 121.8° | 120.0° |
S1 | C29 | C34 | C26 | 125.7° | 120.0° |
S1 | C29 | C33 | H331 | 4.4° | 65.3° |
S1 | C29 | C33 | H332 | 115.6° | 54.8° |
S1 | C29 | C33 | H333 | 124.4° | 174.8° |
S1 | C29 | C34 | H341 | 79.6° | 180.0° |
S1 | C29 | C34 | H342 | 160.3° | 60.0° |
S1 | C29 | C34 | H343 | 40.3° | 60.0° |
S1 | C29 | C26 | N5 | 72.3° | 60.0° |
S1 | C29 | C26 | C24 | 162.5° | 179.9° |
S1 | C29 | C26 | H26 | 45.6° | 60.0° |
H371 | C37 | H372 | H373 | 120.0° | 120.0° |
C33 | C29 | C34 | C26 | 119.0° | 120.0° |
C29 | C33 | H331 | H332 | 120.0° | 120.0° |
C29 | C33 | H331 | H333 | 120.0° | 120.0° |
C29 | C33 | H332 | H333 | 120.1° | 120.0° |
C33 | C29 | C34 | H341 | 35.7° | 59.9° |
C33 | C29 | C34 | H342 | 84.3° | 60.0° |
C33 | C29 | C34 | H343 | 155.7° | 180.0° |
C33 | C29 | C26 | N5 | 171.0° | 179.9° |
C33 | C29 | C26 | C24 | 45.8° | 60.1° |
C33 | C29 | C26 | H26 | 71.2° | 60.0° |
C34 | C29 | C33 | H331 | 112.4° | 174.7° |
C34 | C29 | C33 | H332 | 127.6° | 65.3° |
C34 | C29 | C33 | H333 | 7.6° | 54.7° |
C29 | C34 | H341 | H342 | 120.0° | 120.0° |
C29 | C34 | H341 | H343 | 120.0° | 120.1° |
C29 | C34 | H342 | H343 | 120.0° | 120.0° |
C34 | C29 | C26 | N5 | 50.2° | 60.1° |
C34 | C29 | C26 | C24 | 75.0° | 59.9° |
C34 | C29 | C26 | H26 | 168.0° | 179.9° |
C26 | C29 | C33 | H331 | 126.2° | 54.7° |
C26 | C29 | C33 | H332 | 6.2° | 174.8° |
C26 | C29 | C33 | H333 | 113.8° | 65.3° |
C26 | C29 | C34 | H341 | 154.7° | 60.0° |
C26 | C29 | C34 | H342 | 34.7° | 180.0° |
C26 | C29 | C34 | H343 | 85.4° | 60.0° |
C29 | C26 | N5 | C24 | 126.7° | 120.0° |
C29 | C26 | N5 | H26 | 115.9° | 120.0° |
C29 | C26 | C24 | H26 | 115.8° | 120.1° |
C29 | C26 | N5 | C32 | 112.3° | 120.8° |
C29 | C26 | N5 | HN5 | 67.7° | 59.3° |
C29 | C26 | C24 | O3 | 51.9° | 97.8° |
C29 | C26 | C24 | N4 | 131.6° | 82.2° |
H331 | C33 | H332 | H333 | 120.0° | 120.0° |
H341 | C34 | H342 | H343 | 120.0° | 120.0° |
N5 | C26 | C24 | H26 | 118.1° | 120.0° |
C26 | N5 | C32 | HN5 | 180.0° | 180.0° |
C26 | N5 | C32 | O4 | 0.4° | 5.2° |
C26 | N5 | C32 | C36 | 179.3° | 174.8° |
N5 | C26 | C24 | O3 | 74.2° | 22.2° |
N5 | C26 | C24 | N4 | 102.3° | 157.8° |
C24 | C26 | N5 | C32 | 120.9° | 119.3° |
C24 | C26 | N5 | HN5 | 59.1° | 60.7° |
C26 | C24 | O3 | N4 | 176.2° | 180.0° |
C26 | C24 | N4 | C15 | 178.9° | 174.7° |
C26 | C24 | N4 | HN4 | 1.1° | 5.3° |
H26 | C26 | N5 | C32 | 3.6° | 0.7° |
H26 | C26 | N5 | HN5 | 176.4° | 179.3° |
H26 | C26 | C24 | O3 | 167.7° | 142.2° |
H26 | C26 | C24 | N4 | 15.8° | 37.8° |
N5 | C32 | O4 | C36 | 179.7° | 180.0° |
N5 | C32 | C36 | O7 | 25.0° | 180.0° |
N5 | C32 | C36 | H361 | 144.9° | 60.0° |
N5 | C32 | C36 | H362 | 94.9° | 60.0° |
HN5 | N5 | C32 | O4 | 179.6° | 174.8° |
HN5 | N5 | C32 | C36 | 0.8° | 5.2° |
O4 | C32 | C36 | O7 | 155.3° | 0.0° |
O4 | C32 | C36 | H361 | 35.4° | 120.0° |
O4 | C32 | C36 | H362 | 84.8° | 120.0° |
C32 | C36 | O7 | H361 | 119.8° | 120.0° |
C32 | C36 | O7 | H362 | 120.0° | 120.0° |
C32 | C36 | H361 | H362 | 119.9° | 120.0° |
C32 | C36 | O7 | C1 | 173.5° | 180.0° |
O7 | C36 | H361 | H362 | 119.9° | 120.0° |
C36 | O7 | C1 | C2 | 36.2° | 180.0° |
C36 | O7 | C1 | C5 | 144.4° | 0.3° |
H361 | C36 | O7 | C1 | 53.7° | 60.0° |
H362 | C36 | O7 | C1 | 66.5° | 60.0° |
O7 | C1 | C2 | C5 | 179.4° | 179.7° |
O7 | C1 | C2 | C4 | 179.8° | 180.0° |
O7 | C1 | C2 | H2 | 0.3° | 0.1° |
O7 | C1 | C5 | N1 | 179.9° | 179.7° |
O7 | C1 | C5 | H5 | 0.1° | 0.3° |
C1 | C2 | C4 | H2 | 180.0° | 179.9° |
C1 | C2 | C4 | C3 | 0.6° | 0.0° |
C1 | C2 | C4 | H4 | 179.4° | 179.9° |
C2 | C1 | C5 | N1 | 0.5° | 0.6° |
C2 | C1 | C5 | H5 | 179.5° | 180.0° |
C5 | C1 | C2 | C4 | 0.8° | 0.3° |
C5 | C1 | C2 | H2 | 179.2° | 179.8° |
C1 | C5 | N1 | C3 | 0.1° | 0.5° |
C1 | C5 | N1 | H5 | 180.0° | 179.4° |
C2 | C4 | C3 | H4 | 180.0° | 180.0° |
C2 | C4 | C3 | N1 | 0.0° | 0.0° |
C2 | C4 | C3 | H3 | 179.9° | 180.0° |
H2 | C2 | C4 | C3 | 179.4° | 179.9° |
H2 | C2 | C4 | H4 | 0.6° | 0.0° |
C4 | C3 | N1 | H3 | 180.0° | 179.9° |
C4 | C3 | N1 | C5 | 0.4° | 0.2° |
H4 | C4 | C3 | N1 | 180.0° | 180.0° |
H4 | C4 | C3 | H3 | 0.1° | 0.1° |
C3 | N1 | C5 | H5 | 179.9° | 180.0° |
H3 | C3 | N1 | C5 | 179.6° | 179.7° |
O3 | C24 | N4 | C15 | 4.7° | 5.3° |
O3 | C24 | N4 | HN4 | 175.3° | 174.7° |
C24 | N4 | C15 | HN4 | 180.0° | 180.0° |
C24 | N4 | C15 | C19 | 113.8° | 104.6° |
C24 | N4 | C15 | C12 | 125.6° | 135.4° |
C24 | N4 | C15 | H15 | 5.0° | 15.4° |
N4 | C15 | C19 | C12 | 117.2° | 120.0° |
N4 | C15 | C19 | H15 | 122.1° | 120.0° |
N4 | C15 | C12 | H15 | 122.0° | 120.0° |
N4 | C15 | C19 | C25 | 48.4° | 65.0° |
N4 | C15 | C19 | H191 | 167.4° | 55.0° |
N4 | C15 | C19 | H192 | 71.6° | 175.0° |
N4 | C15 | C12 | O2 | 71.3° | 20.9° |
N4 | C15 | C12 | C8 | 168.7° | 159.1° |
HN4 | N4 | C15 | C19 | 66.2° | 75.4° |
HN4 | N4 | C15 | C12 | 54.4° | 44.6° |
HN4 | N4 | C15 | H15 | 175.0° | 164.6° |
C19 | C15 | C12 | H15 | 118.9° | 120.0° |
C15 | C19 | C25 | H191 | 119.0° | 120.0° |
C15 | C19 | C25 | H192 | 120.0° | 120.0° |
C15 | C19 | H191 | H192 | 119.3° | 119.9° |
C15 | C19 | C25 | C27 | 104.4° | 90.0° |
C15 | C19 | C25 | C28 | 76.3° | 90.3° |
C19 | C15 | C12 | O2 | 47.8° | 99.1° |
C19 | C15 | C12 | C8 | 72.2° | 80.8° |
C12 | C15 | C19 | C25 | 165.6° | 175.0° |
C12 | C15 | C19 | H191 | 75.4° | 65.0° |
C12 | C15 | C19 | H192 | 45.6° | 55.0° |
C15 | C12 | O2 | C8 | 122.6° | 180.0° |
C15 | C12 | C8 | N2 | 80.8° | 180.0° |
C15 | C12 | C8 | H81 | 159.3° | 60.0° |
C15 | C12 | C8 | H82 | 39.2° | 60.1° |
H15 | C15 | C19 | C25 | 73.7° | 55.0° |
H15 | C15 | C19 | H191 | 45.3° | 175.0° |
H15 | C15 | C19 | H192 | 166.3° | 65.0° |
H15 | C15 | C12 | O2 | 166.6° | 140.9° |
H15 | C15 | C12 | C8 | 46.7° | 39.1° |
C25 | C19 | H191 | H192 | 119.3° | 120.1° |
C19 | C25 | C27 | C28 | 179.3° | 179.7° |
C19 | C25 | C27 | C30 | 179.9° | 179.9° |
C19 | C25 | C27 | H27 | 0.1° | 0.1° |
C19 | C25 | C28 | C31 | 179.7° | 179.9° |
C19 | C25 | C28 | H28 | 0.3° | 0.2° |
H191 | C19 | C25 | C27 | 136.6° | 29.9° |
H191 | C19 | C25 | C28 | 42.7° | 149.7° |
H192 | C19 | C25 | C27 | 15.6° | 150.0° |
H192 | C19 | C25 | C28 | 163.7° | 29.7° |
C25 | C27 | C30 | H27 | 180.0° | 180.0° |
C25 | C27 | C30 | C35 | 0.3° | 0.0° |
C25 | C27 | C30 | H30 | 179.8° | 179.9° |
C27 | C25 | C28 | C31 | 0.4° | 0.5° |
C27 | C25 | C28 | H28 | 179.6° | 179.9° |
C28 | C25 | C27 | C30 | 0.8° | 0.3° |
C28 | C25 | C27 | H27 | 179.2° | 179.7° |
C25 | C28 | C31 | C35 | 0.6° | 0.4° |
C25 | C28 | C31 | H28 | 180.0° | 179.6° |
C25 | C28 | C31 | H31 | 179.4° | 179.7° |
C27 | C30 | C35 | H30 | 180.0° | 179.9° |
C27 | C30 | C35 | C31 | 0.7° | 0.1° |
C27 | C30 | C35 | H35 | 179.3° | 180.0° |
H27 | C27 | C30 | C35 | 179.8° | 180.0° |
H27 | C27 | C30 | H30 | 0.2° | 0.1° |
C30 | C35 | C31 | H35 | 180.0° | 179.9° |
C30 | C35 | C31 | C28 | 1.2° | 0.1° |
C30 | C35 | C31 | H31 | 178.8° | 180.0° |
H30 | C30 | C35 | C31 | 179.3° | 180.0° |
H30 | C30 | C35 | H35 | 0.7° | 0.1° |
C35 | C31 | C28 | H31 | 180.0° | 179.9° |
C35 | C31 | C28 | H28 | 179.4° | 180.0° |
H35 | C35 | C31 | C28 | 178.8° | 179.8° |
H35 | C35 | C31 | H31 | 1.2° | 0.1° |
H31 | C31 | C28 | H28 | 0.6° | 0.1° |
O2 | C12 | C8 | N2 | 159.0° | 0.0° |
O2 | C12 | C8 | H81 | 39.2° | 120.0° |
O2 | C12 | C8 | H82 | 81.0° | 120.0° |
C12 | C8 | N2 | H81 | 119.8° | 120.0° |
C12 | C8 | N2 | H82 | 120.0° | 120.0° |
C12 | C8 | H81 | H82 | 119.9° | 120.0° |
C12 | C8 | N2 | C6 | 154.0° | 170.1° |
C12 | C8 | N2 | C7 | 84.6° | 76.2° |
N2 | C8 | H81 | H82 | 119.9° | 120.0° |
C8 | N2 | C6 | C7 | 119.5° | 113.5° |
C8 | N2 | C6 | C10 | 58.5° | 60.7° |
C8 | N2 | C6 | C9 | 176.8° | 179.2° |
C8 | N2 | C6 | H6 | 59.9° | 59.1° |
C8 | N2 | C7 | C11 | 179.2° | 179.9° |
C8 | N2 | C7 | H71 | 59.3° | 60.5° |
C8 | N2 | C7 | H72 | 60.8° | 59.7° |
H81 | C8 | N2 | C6 | 86.1° | 69.9° |
H81 | C8 | N2 | C7 | 35.2° | 43.8° |
H82 | C8 | N2 | C6 | 34.0° | 50.1° |
H82 | C8 | N2 | C7 | 155.4° | 163.8° |
N2 | C6 | C10 | C9 | 119.2° | 120.4° |
N2 | C6 | C10 | H6 | 117.4° | 119.8° |
N2 | C6 | C9 | H6 | 117.5° | 120.1° |
N2 | C6 | C10 | O1 | 39.7° | 20.2° |
N2 | C6 | C10 | N3 | 142.4° | 159.8° |
N2 | C6 | C9 | C13 | 61.4° | 61.0° |
N2 | C6 | C9 | H91 | 178.7° | 58.9° |
N2 | C6 | C9 | H92 | 58.6° | 179.2° |
C6 | N2 | C7 | C11 | 60.8° | 66.9° |
C6 | N2 | C7 | H71 | 179.3° | 173.5° |
C6 | N2 | C7 | H72 | 59.2° | 53.3° |
C7 | N2 | C6 | C10 | 178.0° | 174.2° |
C7 | N2 | C6 | C9 | 63.7° | 65.7° |
C7 | N2 | C6 | H6 | 59.6° | 54.4° |
N2 | C7 | C11 | C13 | 55.2° | 63.2° |
N2 | C7 | C11 | C14 | 70.4° | 56.5° |
N2 | C7 | C11 | H71 | 119.9° | 119.3° |
N2 | C7 | C11 | H72 | 120.0° | 120.7° |
N2 | C7 | C11 | H11 | 172.5° | 176.4° |
N2 | C7 | H71 | H72 | 120.0° | 120.6° |
C10 | C6 | C9 | H6 | 118.5° | 119.9° |
C6 | C10 | O1 | N3 | 177.7° | 179.9° |
C6 | C10 | N3 | C17 | 179.4° | 180.0° |
C6 | C10 | N3 | HN3 | 0.7° | 0.1° |
C10 | C6 | C9 | C13 | 174.6° | 179.0° |
C10 | C6 | C9 | H91 | 54.7° | 61.2° |
C10 | C6 | C9 | H92 | 65.4° | 59.1° |
C9 | C6 | C10 | O1 | 79.6° | 100.2° |
C9 | C6 | C10 | N3 | 98.4° | 79.9° |
C6 | C9 | C13 | H91 | 119.9° | 119.9° |
C6 | C9 | C13 | H92 | 120.0° | 119.9° |
C6 | C9 | H91 | H92 | 119.9° | 120.2° |
C6 | C9 | C13 | C11 | 57.4° | 56.0° |
C6 | C9 | C13 | C16 | 178.1° | 176.5° |
C6 | C9 | C13 | H13 | 60.9° | 63.4° |
H6 | C6 | C10 | O1 | 157.1° | 139.9° |
H6 | C6 | C10 | N3 | 25.0° | 40.0° |
H6 | C6 | C9 | C13 | 56.1° | 59.1° |
H6 | C6 | C9 | H91 | 63.8° | 178.9° |
H6 | C6 | C9 | H92 | 176.1° | 60.8° |
O1 | C10 | N3 | C17 | 1.5° | 0.1° |
O1 | C10 | N3 | HN3 | 178.5° | 180.0° |
C10 | N3 | C17 | HN3 | 180.0° | 179.9° |
C10 | N3 | C17 | C23 | 68.6° | 60.1° |
C10 | N3 | C17 | C22 | 172.7° | 60.0° |
C10 | N3 | C17 | C21 | 53.2° | 180.0° |
N3 | C17 | C23 | C22 | 118.6° | 120.1° |
N3 | C17 | C23 | C21 | 121.0° | 120.0° |
N3 | C17 | C22 | C21 | 119.3° | 120.0° |
N3 | C17 | C23 | H231 | 20.4° | 60.1° |
N3 | C17 | C23 | H232 | 140.5° | 60.0° |
N3 | C17 | C23 | H233 | 99.6° | 180.0° |
N3 | C17 | C22 | H221 | 17.3° | 180.0° |
N3 | C17 | C22 | H222 | 137.2° | 60.0° |
N3 | C17 | C22 | H223 | 102.8° | 60.0° |
N3 | C17 | C21 | H211 | 51.1° | 60.0° |
N3 | C17 | C21 | H212 | 171.1° | 60.0° |
N3 | C17 | C21 | H213 | 68.9° | 180.0° |
HN3 | N3 | C17 | C23 | 111.4° | 120.0° |
HN3 | N3 | C17 | C22 | 7.3° | 119.9° |
HN3 | N3 | C17 | C21 | 126.8° | 0.1° |
C23 | C17 | C22 | C21 | 121.2° | 120.0° |
C17 | C23 | H231 | H232 | 120.0° | 120.0° |
C17 | C23 | H231 | H233 | 120.0° | 119.9° |
C17 | C23 | H232 | H233 | 120.0° | 120.0° |
C23 | C17 | C22 | H221 | 136.7° | 60.0° |
C23 | C17 | C22 | H222 | 103.3° | 180.0° |
C23 | C17 | C22 | H223 | 16.7° | 60.0° |
C23 | C17 | C21 | H211 | 70.2° | 60.0° |
C23 | C17 | C21 | H212 | 49.8° | 180.0° |
C23 | C17 | C21 | H213 | 169.8° | 60.0° |
C22 | C17 | C23 | H231 | 98.1° | 60.0° |
C22 | C17 | C23 | H232 | 21.9° | 180.0° |
C22 | C17 | C23 | H233 | 141.9° | 60.0° |
C17 | C22 | H221 | H222 | 120.0° | 120.0° |
C17 | C22 | H221 | H223 | 120.0° | 119.9° |
C17 | C22 | H222 | H223 | 120.0° | 119.9° |
C22 | C17 | C21 | H211 | 169.8° | 180.0° |
C22 | C17 | C21 | H212 | 70.1° | 60.0° |
C22 | C17 | C21 | H213 | 49.8° | 60.0° |
C21 | C17 | C23 | H231 | 141.4° | 180.0° |
C21 | C17 | C23 | H232 | 98.6° | 60.0° |
C21 | C17 | C23 | H233 | 21.4° | 60.0° |
C21 | C17 | C22 | H221 | 102.1° | 60.0° |
C21 | C17 | C22 | H222 | 17.9° | 60.1° |
C21 | C17 | C22 | H223 | 137.9° | 180.0° |
C17 | C21 | H211 | H212 | 120.0° | 120.0° |
C17 | C21 | H211 | H213 | 120.0° | 120.0° |
C17 | C21 | H212 | H213 | 120.0° | 120.0° |
H231 | C23 | H232 | H233 | 119.9° | 120.0° |
H221 | C22 | H222 | H223 | 120.0° | 120.1° |
H211 | C21 | H212 | H213 | 120.0° | 120.0° |
C13 | C9 | H91 | H92 | 119.9° | 120.2° |
C9 | C13 | C11 | C16 | 124.4° | 120.6° |
C9 | C13 | C11 | H13 | 118.5° | 119.4° |
C9 | C13 | C16 | H13 | 118.4° | 120.1° |
C9 | C13 | C11 | C14 | 70.9° | 61.9° |
C9 | C13 | C11 | C7 | 54.1° | 57.0° |
C9 | C13 | C11 | H11 | 172.1° | 177.0° |
C9 | C13 | C16 | C20 | 72.0° | 61.2° |
C9 | C13 | C16 | H161 | 169.3° | 58.9° |
C9 | C13 | C16 | H162 | 48.0° | 178.8° |
H91 | C9 | C13 | C11 | 177.3° | 63.9° |
H91 | C9 | C13 | C16 | 58.3° | 56.6° |
H91 | C9 | C13 | H13 | 58.9° | 176.7° |
H92 | C9 | C13 | C11 | 62.6° | 175.9° |
H92 | C9 | C13 | C16 | 61.9° | 63.7° |
H92 | C9 | C13 | H13 | 179.0° | 56.4° |
C11 | C13 | C16 | H13 | 118.2° | 119.9° |
C13 | C11 | C14 | C7 | 124.9° | 118.5° |
C13 | C11 | C14 | H11 | 117.1° | 121.5° |
C13 | C11 | C7 | H11 | 117.3° | 120.4° |
C13 | C11 | C14 | C18 | 56.3° | 59.5° |
C13 | C11 | C14 | H141 | 63.3° | 60.5° |
C13 | C11 | C14 | H142 | 176.3° | 179.5° |
C13 | C11 | C7 | H71 | 175.1° | 177.5° |
C13 | C11 | C7 | H72 | 64.8° | 57.6° |
C11 | C13 | C16 | C20 | 51.4° | 58.8° |
C11 | C13 | C16 | H161 | 67.2° | 178.9° |
C11 | C13 | C16 | H162 | 171.4° | 61.2° |
C16 | C13 | C11 | C14 | 53.5° | 58.8° |
C16 | C13 | C11 | C7 | 178.5° | 177.6° |
C16 | C13 | C11 | H11 | 63.5° | 62.3° |
C13 | C16 | C20 | H161 | 118.7° | 120.1° |
C13 | C16 | C20 | H162 | 120.0° | 120.1° |
C13 | C16 | H161 | H162 | 119.2° | 119.9° |
C13 | C16 | C20 | C18 | 52.5° | 59.9° |
C13 | C16 | C20 | H201 | 171.6° | 60.1° |
C13 | C16 | C20 | H202 | 67.5° | 179.8° |
H13 | C13 | C11 | C14 | 170.6° | 178.7° |
H13 | C13 | C11 | C7 | 64.3° | 62.4° |
H13 | C13 | C11 | H11 | 53.6° | 57.6° |
H13 | C13 | C16 | C20 | 169.7° | 178.8° |
H13 | C13 | C16 | H161 | 51.0° | 61.2° |
H13 | C13 | C16 | H162 | 70.4° | 58.7° |
C14 | C11 | C7 | H11 | 117.1° | 120.0° |
C11 | C14 | C18 | H141 | 119.6° | 120.1° |
C11 | C14 | C18 | H142 | 120.0° | 120.1° |
C11 | C14 | H141 | H142 | 119.8° | 120.2° |
C14 | C11 | C7 | H71 | 49.5° | 62.8° |
C14 | C11 | C7 | H72 | 169.6° | 177.2° |
C11 | C14 | C18 | C20 | 56.9° | 60.4° |
C11 | C14 | C18 | H181 | 176.2° | 179.6° |
C11 | C14 | C18 | H182 | 63.1° | 59.6° |
C7 | C11 | C14 | C18 | 178.7° | 178.0° |
C7 | C11 | C14 | H141 | 61.7° | 58.0° |
C7 | C11 | C14 | H142 | 58.7° | 62.0° |
C11 | C7 | H71 | H72 | 119.9° | 119.9° |
H11 | C11 | C14 | C18 | 60.8° | 62.0° |
H11 | C11 | C14 | H141 | 179.6° | 178.0° |
H11 | C11 | C14 | H142 | 59.2° | 58.0° |
H11 | C11 | C7 | H71 | 67.6° | 57.1° |
H11 | C11 | C7 | H72 | 52.4° | 62.8° |
C18 | C14 | H141 | H142 | 119.7° | 119.8° |
C14 | C18 | C20 | C16 | 55.3° | 60.5° |
C14 | C18 | C20 | H181 | 119.3° | 120.0° |
C14 | C18 | C20 | H182 | 120.0° | 119.9° |
C14 | C18 | C20 | H201 | 174.4° | 59.4° |
C14 | C18 | C20 | H202 | 64.7° | 179.6° |
C14 | C18 | H181 | H182 | 119.5° | 120.0° |
H141 | C14 | C18 | C20 | 62.7° | 59.6° |
H141 | C14 | C18 | H181 | 56.6° | 60.3° |
H141 | C14 | C18 | H182 | 177.3° | 179.6° |
H142 | C14 | C18 | C20 | 176.9° | 179.5° |
H142 | C14 | C18 | H181 | 63.8° | 59.5° |
H142 | C14 | C18 | H182 | 56.9° | 60.6° |
C20 | C16 | H161 | H162 | 119.1° | 119.8° |
C16 | C20 | C18 | H201 | 119.1° | 119.9° |
C16 | C20 | C18 | H202 | 120.0° | 119.9° |
C16 | C20 | H201 | H202 | 119.4° | 120.1° |
C16 | C20 | C18 | H181 | 174.6° | 179.5° |
C16 | C20 | C18 | H182 | 64.7° | 59.4° |
H161 | C16 | C20 | C18 | 66.2° | 179.9° |
H161 | C16 | C20 | H201 | 52.9° | 60.0° |
H161 | C16 | C20 | H202 | 173.8° | 60.1° |
H162 | C16 | C20 | C18 | 172.5° | 60.2° |
H162 | C16 | C20 | H201 | 68.4° | 179.8° |
H162 | C16 | C20 | H202 | 52.5° | 59.7° |
C18 | C20 | H201 | H202 | 119.5° | 120.2° |
C20 | C18 | H181 | H182 | 119.6° | 120.1° |
H201 | C20 | C18 | H181 | 66.3° | 60.6° |
H201 | C20 | C18 | H182 | 54.4° | 179.3° |
H202 | C20 | C18 | H181 | 54.6° | 59.6° |
H202 | C20 | C18 | H182 | 175.3° | 60.5° |