PRD_000564
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C6 | sing | 1.47Å | 1.45Å | |
N1 | HN1 | sing | 0.97Å | 1.00Å | |
N2 | C15 | sing | 1.47Å | 1.42Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N3 | C18 | sing | 1.37Å | 1.38Å | Aromatic |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
O3 | C7 | doub | 1.21Å | 1.25Å | |
N4 | C20 | doub | 1.30Å | 1.33Å | Aromatic |
N4 | C19 | sing | 1.34Å | 1.38Å | Aromatic |
C6 | C7 | sing | 1.51Å | 1.54Å | |
C6 | C8 | sing | 1.53Å | 1.58Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C7 | N2 | sing | 1.35Å | 1.33Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H8A | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | C16 | sing | 1.51Å | 1.56Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
C16 | O4 | doub | 1.21Å | 1.24Å | |
C16 | N5 | sing | 1.35Å | 1.32Å | |
C17 | C15 | sing | 1.53Å | 1.47Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C18 | C17 | sing | 1.51Å | 1.49Å | |
C19 | C18 | doub | 1.35Å | 1.36Å | Aromatic |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | N3 | sing | 1.35Å | 1.33Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C1 | N1 | sing | 1.35Å | 1.32Å | |
C1 | O1 | doub | 1.21Å | 1.22Å | |
C2 | O2 | sing | 1.45Å | 1.44Å | |
C2 | C5 | sing | 1.53Å | 1.54Å | |
O2 | C1 | sing | 1.35Å | 1.45Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C3 | H3B | sing | 1.09Å | 1.10Å | |
C4 | C2 | sing | 1.53Å | 1.54Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C4 | H4B | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C5 | H5B | sing | 1.09Å | 1.10Å | |
N5 | C21 | sing | 1.47Å | 1.46Å | |
N5 | HN5 | sing | 0.97Å | 1.00Å | |
O5 | C29 | sing | 1.43Å | 1.43Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
N6 | C37 | sing | 1.47Å | 1.44Å | |
O6 | C36 | doub | 1.21Å | 1.23Å | |
C21 | C29 | sing | 1.53Å | 1.53Å | |
C21 | C22 | sing | 1.53Å | 1.55Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C23 | C22 | sing | 1.53Å | 1.54Å | |
C23 | C25 | sing | 1.53Å | 1.50Å | |
C23 | C24 | sing | 1.53Å | 1.56Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C25 | H25A | sing | 1.09Å | 1.10Å | |
C26 | C24 | sing | 1.53Å | 1.55Å | |
C26 | C28 | sing | 1.53Å | 1.53Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C26 | H26A | sing | 1.09Å | 1.10Å | |
C27 | C25 | sing | 1.53Å | 1.53Å | |
C27 | C28 | sing | 1.53Å | 1.52Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H27A | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C29 | H29 | sing | 1.09Å | 1.10Å | |
C30 | C29 | sing | 1.53Å | 1.55Å | |
C30 | C31 | sing | 1.53Å | 1.55Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H30A | sing | 1.09Å | 1.10Å | |
C31 | C36 | sing | 1.51Å | 1.54Å | |
C31 | H31 | sing | 1.09Å | 1.10Å | |
C32 | C31 | sing | 1.53Å | 1.54Å | |
C32 | C33 | sing | 1.53Å | 1.53Å | |
C32 | H32 | sing | 1.09Å | 1.10Å | |
C32 | H32A | sing | 1.09Å | 1.10Å | |
C33 | H33 | sing | 1.09Å | 1.10Å | |
C34 | C33 | sing | 1.53Å | 1.48Å | |
C34 | H34 | sing | 1.09Å | 1.10Å | |
C34 | H34A | sing | 1.09Å | 1.10Å | |
C34 | H34B | sing | 1.09Å | 1.10Å | |
C35 | C33 | sing | 1.53Å | 1.53Å | |
C35 | H35 | sing | 1.09Å | 1.10Å | |
C35 | H35A | sing | 1.09Å | 1.10Å | |
C35 | H35B | sing | 1.09Å | 1.10Å | |
C36 | N6 | sing | 1.35Å | 1.33Å | |
N6 | H55 | sing | 0.97Å | 1.00Å | |
C37 | H37 | sing | 1.09Å | 1.10Å | |
C37 | H37A | sing | 1.09Å | 1.10Å | |
C37 | H58 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | N1 | HN1 | 116.5° | 120.0° |
N1 | C6 | C7 | 110.5° | 109.4° |
N1 | C6 | C8 | 107.7° | 109.5° |
N1 | C6 | H6 | 109.0° | 109.5° |
C6 | N1 | C1 | 127.0° | 120.0° |
HN1 | N1 | C1 | 116.5° | 120.0° |
C15 | N2 | HN2 | 115.1° | 120.0° |
C15 | N2 | C7 | 129.8° | 120.0° |
N2 | C15 | C16 | 111.3° | 109.5° |
N2 | C15 | H15 | 98.7° | 109.5° |
N2 | C15 | C17 | 121.8° | 109.5° |
HN2 | N2 | C7 | 115.1° | 120.1° |
C18 | N3 | HN3 | 125.1° | 126.5° |
N3 | C18 | C17 | 123.4° | 126.6° |
N3 | C18 | C19 | 105.5° | 106.9° |
C18 | N3 | C20 | 109.7° | 107.2° |
HN3 | N3 | C20 | 125.1° | 126.4° |
O3 | C7 | C6 | 112.7° | 120.0° |
O3 | C7 | N2 | 125.8° | 120.0° |
C20 | N4 | C19 | 108.6° | 109.3° |
N4 | C20 | N3 | 108.4° | 108.7° |
N4 | C20 | H20 | 125.8° | 125.7° |
N4 | C19 | C18 | 107.7° | 108.0° |
N4 | C19 | H19 | 126.1° | 126.0° |
C7 | C6 | C8 | 106.1° | 109.5° |
C7 | C6 | H6 | 110.5° | 109.5° |
C6 | C7 | N2 | 121.5° | 120.0° |
C8 | C6 | H6 | 113.1° | 109.5° |
C6 | C8 | C9 | 111.0° | 109.5° |
C6 | C8 | H8 | 108.9° | 109.5° |
C6 | C8 | H8A | 109.0° | 109.5° |
C9 | C8 | H8 | 109.0° | 109.5° |
C9 | C8 | H8A | 109.0° | 109.4° |
C8 | C9 | C10 | 120.2° | 119.9° |
C8 | C9 | C11 | 123.4° | 120.0° |
H8 | C8 | H8A | 110.0° | 109.5° |
C9 | C10 | C12 | 122.5° | 120.0° |
C9 | C10 | H10 | 118.7° | 120.1° |
C10 | C9 | C11 | 116.4° | 120.0° |
C12 | C10 | H10 | 118.7° | 119.9° |
C10 | C12 | H12 | 120.2° | 120.0° |
C10 | C12 | C14 | 119.6° | 120.0° |
C9 | C11 | C13 | 122.7° | 120.0° |
C9 | C11 | H11 | 118.6° | 120.0° |
C13 | C11 | H11 | 118.7° | 120.0° |
C11 | C13 | C14 | 118.7° | 120.0° |
C11 | C13 | H13 | 120.7° | 120.0° |
H12 | C12 | C14 | 120.2° | 120.0° |
C14 | C13 | H13 | 120.7° | 120.0° |
C13 | C14 | C12 | 120.1° | 120.0° |
C13 | C14 | H14 | 119.9° | 120.0° |
C12 | C14 | H14 | 120.0° | 120.0° |
C16 | C15 | H15 | 113.6° | 109.5° |
C15 | C16 | O4 | 120.9° | 120.0° |
C15 | C16 | N5 | 119.8° | 119.9° |
C16 | C15 | C17 | 110.3° | 109.5° |
H15 | C15 | C17 | 100.0° | 109.4° |
O4 | C16 | N5 | 119.2° | 120.0° |
C16 | N5 | C21 | 127.3° | 119.9° |
C16 | N5 | HN5 | 116.3° | 120.0° |
C15 | C17 | H17 | 105.5° | 109.5° |
C15 | C17 | H17A | 105.5° | 109.5° |
C15 | C17 | C18 | 122.2° | 109.5° |
H17 | C17 | H17A | 113.2° | 109.4° |
H17 | C17 | C18 | 105.4° | 109.5° |
H17A | C17 | C18 | 105.4° | 109.5° |
C17 | C18 | C19 | 131.1° | 126.5° |
C18 | C19 | H19 | 126.1° | 126.0° |
N3 | C20 | H20 | 125.8° | 125.6° |
N1 | C1 | O1 | 121.4° | 120.0° |
N1 | C1 | O2 | 121.9° | 120.0° |
O1 | C1 | O2 | 116.8° | 120.0° |
O2 | C2 | C5 | 109.7° | 109.5° |
C2 | O2 | C1 | 117.7° | 117.0° |
O2 | C2 | C3 | 114.0° | 109.4° |
O2 | C2 | C4 | 104.6° | 109.5° |
C5 | C2 | C3 | 108.7° | 109.5° |
C5 | C2 | C4 | 111.2° | 109.5° |
C2 | C5 | H5 | 109.5° | 109.5° |
C2 | C5 | H5A | 109.5° | 109.5° |
C2 | C5 | H5B | 109.5° | 109.5° |
C2 | C3 | H3 | 109.5° | 109.4° |
C2 | C3 | H3A | 109.5° | 109.4° |
C2 | C3 | H3B | 109.5° | 109.5° |
C3 | C2 | C4 | 108.6° | 109.5° |
H3 | C3 | H3A | 109.5° | 109.4° |
H3 | C3 | H3B | 109.4° | 109.5° |
H3A | C3 | H3B | 109.5° | 109.5° |
C2 | C4 | H4 | 109.5° | 109.5° |
C2 | C4 | H4A | 109.4° | 109.4° |
C2 | C4 | H4B | 109.5° | 109.5° |
H4 | C4 | H4A | 109.5° | 109.5° |
H4 | C4 | H4B | 109.5° | 109.5° |
H4A | C4 | H4B | 109.5° | 109.5° |
H5 | C5 | H5A | 109.4° | 109.4° |
H5 | C5 | H5B | 109.4° | 109.5° |
H5A | C5 | H5B | 109.5° | 109.5° |
C21 | N5 | HN5 | 116.4° | 120.0° |
N5 | C21 | C29 | 109.1° | 109.5° |
N5 | C21 | C22 | 110.7° | 109.5° |
N5 | C21 | H21 | 110.4° | 109.5° |
C29 | O5 | HO5 | 109.5° | 114.0° |
O5 | C29 | C21 | 113.8° | 109.4° |
O5 | C29 | H29 | 108.7° | 109.5° |
O5 | C29 | C30 | 106.1° | 109.4° |
C37 | N6 | C36 | 125.6° | 120.1° |
C37 | N6 | H55 | 117.2° | 120.0° |
N6 | C37 | H37 | 109.5° | 109.4° |
N6 | C37 | H37A | 109.5° | 109.4° |
N6 | C37 | H58 | 109.4° | 109.5° |
O6 | C36 | C31 | 120.8° | 120.0° |
O6 | C36 | N6 | 122.6° | 120.0° |
C29 | C21 | C22 | 113.5° | 109.5° |
C29 | C21 | H21 | 107.4° | 109.5° |
C21 | C29 | H29 | 106.0° | 109.5° |
C21 | C29 | C30 | 108.8° | 109.5° |
C22 | C21 | H21 | 105.7° | 109.5° |
C21 | C22 | H22 | 112.3° | 109.4° |
C21 | C22 | H22A | 112.3° | 109.4° |
C21 | C22 | C23 | 101.3° | 109.4° |
H22 | C22 | H22A | 106.5° | 109.5° |
H22 | C22 | C23 | 112.3° | 109.5° |
H22A | C22 | C23 | 112.3° | 109.5° |
C22 | C23 | C25 | 118.8° | 109.4° |
C22 | C23 | C24 | 110.7° | 109.5° |
C22 | C23 | H23 | 100.3° | 109.5° |
C25 | C23 | C24 | 103.8° | 109.5° |
C25 | C23 | H23 | 107.6° | 109.4° |
C23 | C25 | H25 | 109.0° | 109.5° |
C23 | C25 | H25A | 109.0° | 109.5° |
C23 | C25 | C27 | 110.8° | 109.5° |
C24 | C23 | H23 | 116.2° | 109.5° |
C23 | C24 | H24 | 108.9° | 109.5° |
C23 | C24 | H24A | 108.9° | 109.5° |
C23 | C24 | C26 | 111.1° | 109.5° |
H24 | C24 | H24A | 110.0° | 109.4° |
H24 | C24 | C26 | 108.9° | 109.5° |
H24A | C24 | C26 | 108.9° | 109.5° |
H25 | C25 | H25A | 110.0° | 109.5° |
H25 | C25 | C27 | 109.0° | 109.4° |
H25A | C25 | C27 | 109.0° | 109.4° |
C24 | C26 | C28 | 107.2° | 109.5° |
C24 | C26 | H26 | 110.2° | 109.4° |
C24 | C26 | H26A | 110.2° | 109.5° |
C28 | C26 | H26 | 110.2° | 109.5° |
C28 | C26 | H26A | 110.3° | 109.5° |
C26 | C28 | C27 | 110.9° | 109.5° |
C26 | C28 | H28 | 109.0° | 109.5° |
C26 | C28 | H28A | 109.0° | 109.5° |
H26 | C26 | H26A | 108.7° | 109.4° |
C25 | C27 | C28 | 117.9° | 109.5° |
C25 | C27 | H27 | 106.8° | 109.5° |
C25 | C27 | H27A | 106.8° | 109.5° |
C28 | C27 | H27 | 106.8° | 109.4° |
C28 | C27 | H27A | 106.8° | 109.5° |
C27 | C28 | H28 | 109.0° | 109.4° |
C27 | C28 | H28A | 109.0° | 109.5° |
H27 | C27 | H27A | 112.0° | 109.5° |
H28 | C28 | H28A | 110.0° | 109.5° |
H29 | C29 | C30 | 113.7° | 109.5° |
C29 | C30 | C31 | 108.7° | 109.5° |
C29 | C30 | H30 | 109.7° | 109.5° |
C29 | C30 | H30A | 109.7° | 109.5° |
C31 | C30 | H30 | 109.7° | 109.5° |
C31 | C30 | H30A | 109.8° | 109.5° |
C30 | C31 | C36 | 108.7° | 109.5° |
C30 | C31 | H31 | 110.2° | 109.5° |
C30 | C31 | C32 | 108.8° | 109.5° |
H30 | C30 | H30A | 109.2° | 109.5° |
C36 | C31 | H31 | 110.2° | 109.5° |
C36 | C31 | C32 | 108.8° | 109.5° |
C31 | C36 | N6 | 116.5° | 120.0° |
H31 | C31 | C32 | 110.2° | 109.5° |
C31 | C32 | C33 | 110.2° | 109.4° |
C31 | C32 | H32 | 109.2° | 109.5° |
C31 | C32 | H32A | 109.2° | 109.5° |
C33 | C32 | H32 | 109.2° | 109.4° |
C33 | C32 | H32A | 109.2° | 109.4° |
C32 | C33 | H33 | 114.7° | 109.5° |
C32 | C33 | C34 | 118.6° | 109.5° |
C32 | C33 | C35 | 97.5° | 109.5° |
H32 | C32 | H32A | 109.7° | 109.5° |
H33 | C33 | C34 | 94.3° | 109.5° |
H33 | C33 | C35 | 116.5° | 109.5° |
C33 | C34 | H34 | 109.5° | 109.5° |
C33 | C34 | H34A | 109.5° | 109.5° |
C33 | C34 | H34B | 109.5° | 109.4° |
C34 | C33 | C35 | 116.8° | 109.4° |
H34 | C34 | H34A | 109.4° | 109.5° |
H34 | C34 | H34B | 109.5° | 109.5° |
H34A | C34 | H34B | 109.5° | 109.5° |
C33 | C35 | H35 | 109.5° | 109.5° |
C33 | C35 | H35A | 109.4° | 109.5° |
C33 | C35 | H35B | 109.5° | 109.5° |
H35 | C35 | H35A | 109.5° | 109.5° |
H35 | C35 | H35B | 109.5° | 109.4° |
H35A | C35 | H35B | 109.5° | 109.5° |
C36 | N6 | H55 | 117.2° | 120.0° |
H37 | C37 | H37A | 109.5° | 109.5° |
H37 | C37 | H58 | 109.5° | 109.5° |
H37A | C37 | H58 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | N1 | HN1 | C1 | 180.0° | 179.7° |
N1 | C6 | C7 | O3 | 36.8° | 0.0° |
N1 | C6 | C7 | C8 | 116.4° | 120.0° |
N1 | C6 | C7 | H6 | 120.6° | 120.0° |
N1 | C6 | C8 | H6 | 120.4° | 120.1° |
N1 | C6 | C7 | N2 | 141.6° | 180.0° |
N1 | C6 | C8 | C9 | 80.9° | 65.1° |
N1 | C6 | C8 | H8 | 39.1° | 55.0° |
N1 | C6 | C8 | H8A | 159.1° | 175.0° |
C6 | N1 | C1 | O1 | 2.9° | 0.0° |
C6 | N1 | C1 | O2 | 178.5° | 180.0° |
HN1 | N1 | C6 | C7 | 69.8° | 25.0° |
HN1 | N1 | C6 | C8 | 45.6° | 95.0° |
HN1 | N1 | C6 | H6 | 168.6° | 145.0° |
HN1 | N1 | C1 | O1 | 177.1° | 179.7° |
HN1 | N1 | C1 | O2 | 1.5° | 0.3° |
C15 | N2 | HN2 | C7 | 180.0° | 180.0° |
C15 | N2 | C7 | O3 | 13.8° | 0.0° |
C15 | N2 | C7 | C6 | 168.0° | 180.0° |
N2 | C15 | C16 | H15 | 110.4° | 120.0° |
N2 | C15 | C16 | C17 | 138.3° | 120.0° |
N2 | C15 | H15 | C17 | 124.7° | 120.0° |
N2 | C15 | C16 | O4 | 86.0° | 0.0° |
N2 | C15 | C16 | N5 | 93.7° | 180.0° |
N2 | C15 | C17 | H17 | 95.7° | 55.0° |
N2 | C15 | C17 | H17A | 144.3° | 175.0° |
N2 | C15 | C17 | C18 | 24.3° | 65.0° |
HN2 | N2 | C7 | O3 | 166.2° | 180.0° |
HN2 | N2 | C7 | C6 | 11.9° | 0.0° |
HN2 | N2 | C15 | C16 | 68.6° | 25.0° |
HN2 | N2 | C15 | H15 | 171.7° | 145.0° |
HN2 | N2 | C15 | C17 | 64.2° | 95.0° |
C18 | N3 | HN3 | C20 | 180.0° | 179.7° |
C18 | N3 | C20 | N4 | 2.1° | 0.4° |
N3 | C18 | C19 | N4 | 0.6° | 0.0° |
N3 | C18 | C17 | C15 | 137.1° | 95.0° |
N3 | C18 | C17 | H17 | 17.1° | 25.1° |
N3 | C18 | C17 | H17A | 102.9° | 145.0° |
N3 | C18 | C17 | C19 | 179.3° | 179.9° |
N3 | C18 | C19 | H19 | 179.3° | 179.7° |
C18 | N3 | C20 | H20 | 177.9° | 180.0° |
HN3 | N3 | C20 | N4 | 177.9° | 179.8° |
HN3 | N3 | C18 | C17 | 2.2° | 0.1° |
HN3 | N3 | C18 | C19 | 178.3° | 180.0° |
HN3 | N3 | C20 | H20 | 2.1° | 0.3° |
O3 | C7 | C6 | N2 | 178.4° | 180.0° |
O3 | C7 | C6 | C8 | 79.6° | 120.0° |
O3 | C7 | C6 | H6 | 157.4° | 120.0° |
C20 | N4 | C19 | C18 | 0.6° | 0.3° |
C20 | N4 | C19 | H19 | 179.4° | 180.0° |
N4 | C20 | N3 | H20 | 180.0° | 179.5° |
N4 | C19 | C18 | C17 | 178.7° | 180.0° |
N4 | C19 | C18 | H19 | 180.0° | 179.7° |
C19 | N4 | C20 | N3 | 1.7° | 0.5° |
C19 | N4 | C20 | H20 | 178.3° | 180.0° |
C7 | C6 | C8 | H6 | 121.2° | 120.0° |
C7 | C6 | C8 | C9 | 160.8° | 175.0° |
C7 | C6 | C8 | H8 | 79.2° | 65.0° |
C7 | C6 | C8 | H8A | 40.8° | 55.0° |
C7 | C6 | N1 | C1 | 110.2° | 154.7° |
C8 | C6 | C7 | N2 | 102.0° | 60.0° |
C6 | C8 | C9 | H8 | 120.0° | 120.0° |
C6 | C8 | C9 | H8A | 120.0° | 120.0° |
C6 | C8 | H8 | H8A | 119.4° | 120.0° |
C6 | C8 | C9 | C10 | 72.1° | 90.0° |
C6 | C8 | C9 | C11 | 106.9° | 90.2° |
C8 | C6 | N1 | C1 | 134.4° | 85.3° |
H6 | C6 | C7 | N2 | 20.9° | 60.0° |
H6 | C6 | C8 | C9 | 39.5° | 55.0° |
H6 | C6 | C8 | H8 | 159.5° | 175.0° |
H6 | C6 | C8 | H8A | 80.5° | 64.9° |
H6 | C6 | N1 | C1 | 11.3° | 34.7° |
C7 | N2 | C15 | C16 | 111.4° | 155.0° |
C7 | N2 | C15 | H15 | 8.3° | 35.0° |
C7 | N2 | C15 | C17 | 115.8° | 85.0° |
C9 | C8 | H8 | H8A | 119.4° | 120.0° |
C8 | C9 | C10 | C11 | 179.1° | 179.8° |
C8 | C9 | C10 | C12 | 177.9° | 180.0° |
C8 | C9 | C10 | H10 | 2.1° | 0.1° |
C8 | C9 | C11 | C13 | 177.5° | 180.0° |
C8 | C9 | C11 | H11 | 2.5° | 0.1° |
H8 | C8 | C9 | C10 | 168.0° | 30.1° |
H8 | C8 | C9 | C11 | 13.0° | 149.7° |
H8A | C8 | C9 | C10 | 48.0° | 150.1° |
H8A | C8 | C9 | C11 | 133.0° | 29.7° |
C9 | C10 | C12 | H10 | 180.0° | 179.9° |
C10 | C9 | C11 | C13 | 1.6° | 0.2° |
C10 | C9 | C11 | H11 | 178.4° | 179.7° |
C9 | C10 | C12 | H12 | 179.2° | 180.0° |
C9 | C10 | C12 | C14 | 0.8° | 0.1° |
C12 | C10 | C9 | C11 | 1.2° | 0.2° |
C10 | C12 | H12 | C14 | 180.0° | 180.0° |
C10 | C12 | C14 | C13 | 2.4° | 0.3° |
C10 | C12 | C14 | H14 | 177.6° | 180.0° |
H10 | C10 | C9 | C11 | 178.9° | 179.7° |
H10 | C10 | C12 | H12 | 0.8° | 0.0° |
H10 | C10 | C12 | C14 | 179.2° | 180.0° |
C9 | C11 | C13 | H11 | 180.0° | 179.9° |
C9 | C11 | C13 | C14 | 0.0° | 0.1° |
C9 | C11 | C13 | H13 | 180.0° | 179.9° |
C11 | C13 | C14 | H13 | 180.0° | 180.0° |
C11 | C13 | C14 | C12 | 2.0° | 0.3° |
C11 | C13 | C14 | H14 | 178.0° | 180.0° |
H11 | C11 | C13 | C14 | 180.0° | 180.0° |
H11 | C11 | C13 | H13 | 0.0° | 0.0° |
H12 | C12 | C14 | C13 | 177.6° | 179.7° |
H12 | C12 | C14 | H14 | 2.4° | 0.1° |
C13 | C14 | C12 | H14 | 180.0° | 179.7° |
H13 | C13 | C14 | C12 | 178.0° | 179.7° |
H13 | C13 | C14 | H14 | 2.0° | 0.0° |
C16 | C15 | H15 | C17 | 117.5° | 120.0° |
C15 | C16 | O4 | N5 | 179.7° | 180.0° |
C16 | C15 | C17 | H17 | 37.5° | 65.0° |
C16 | C15 | C17 | H17A | 82.5° | 55.0° |
C16 | C15 | C17 | C18 | 157.5° | 175.0° |
C15 | C16 | N5 | C21 | 171.5° | 180.0° |
C15 | C16 | N5 | HN5 | 8.5° | 0.0° |
H15 | C15 | C16 | O4 | 163.6° | 120.0° |
H15 | C15 | C16 | N5 | 16.7° | 60.0° |
H15 | C15 | C17 | H17 | 157.4° | 175.0° |
H15 | C15 | C17 | H17A | 37.4° | 65.1° |
H15 | C15 | C17 | C18 | 82.6° | 55.0° |
O4 | C16 | C15 | C17 | 52.3° | 120.0° |
O4 | C16 | N5 | C21 | 8.8° | 0.0° |
O4 | C16 | N5 | HN5 | 171.2° | 180.0° |
N5 | C16 | C15 | C17 | 128.0° | 60.0° |
C16 | N5 | C21 | HN5 | 180.0° | 180.0° |
C16 | N5 | C21 | C29 | 97.7° | 155.0° |
C16 | N5 | C21 | C22 | 136.8° | 85.0° |
C16 | N5 | C21 | H21 | 20.2° | 35.0° |
C15 | C17 | H17 | H17A | 114.8° | 120.0° |
C15 | C17 | H17 | C18 | 130.5° | 120.0° |
C15 | C17 | H17A | C18 | 130.5° | 120.0° |
C15 | C17 | C18 | C19 | 42.2° | 84.9° |
H17 | C17 | H17A | C18 | 114.7° | 120.0° |
H17 | C17 | C18 | C19 | 162.2° | 155.0° |
H17A | C17 | C18 | C19 | 77.8° | 35.1° |
C17 | C18 | C19 | H19 | 1.3° | 0.4° |
C17 | C18 | N3 | C20 | 177.8° | 179.7° |
C19 | C18 | N3 | C20 | 1.7° | 0.2° |
N1 | C1 | O1 | O2 | 178.7° | 180.0° |
N1 | C1 | O2 | C2 | 151.6° | 180.0° |
O1 | C1 | O2 | C2 | 29.7° | 0.0° |
O2 | C2 | C5 | C3 | 125.3° | 120.0° |
O2 | C2 | C5 | C4 | 115.3° | 120.0° |
O2 | C2 | C3 | C4 | 116.2° | 120.0° |
O2 | C2 | C3 | H3 | 180.0° | 60.0° |
O2 | C2 | C3 | H3A | 60.0° | 180.0° |
O2 | C2 | C3 | H3B | 60.0° | 60.0° |
O2 | C2 | C4 | H4 | 180.0° | 60.1° |
O2 | C2 | C4 | H4A | 60.0° | 180.0° |
O2 | C2 | C4 | H4B | 60.0° | 60.0° |
O2 | C2 | C5 | H5 | 180.0° | 60.0° |
O2 | C2 | C5 | H5A | 60.0° | 180.0° |
O2 | C2 | C5 | H5B | 60.0° | 60.0° |
C5 | C2 | O2 | C1 | 29.4° | 60.0° |
C5 | C2 | C3 | C4 | 121.1° | 120.0° |
C5 | C2 | C3 | H3 | 57.2° | 180.0° |
C5 | C2 | C3 | H3A | 177.2° | 60.0° |
C5 | C2 | C3 | H3B | 62.8° | 60.0° |
C5 | C2 | C4 | H4 | 61.6° | 60.0° |
C5 | C2 | C4 | H4A | 58.4° | 60.0° |
C5 | C2 | C4 | H4B | 178.4° | 180.0° |
C2 | C5 | H5 | H5A | 120.0° | 120.0° |
C2 | C5 | H5 | H5B | 120.0° | 120.0° |
C2 | C5 | H5A | H5B | 120.0° | 120.0° |
C1 | O2 | C2 | C3 | 151.6° | 180.0° |
C1 | O2 | C2 | C4 | 90.0° | 60.0° |
C2 | C3 | H3 | H3A | 120.0° | 119.9° |
C2 | C3 | H3 | H3B | 120.0° | 120.0° |
C2 | C3 | H3A | H3B | 120.0° | 120.0° |
C3 | C2 | C4 | H4 | 57.9° | 180.0° |
C3 | C2 | C4 | H4A | 177.9° | 60.0° |
C3 | C2 | C4 | H4B | 62.1° | 60.0° |
C3 | C2 | C5 | H5 | 54.7° | 60.0° |
C3 | C2 | C5 | H5A | 65.3° | 60.0° |
C3 | C2 | C5 | H5B | 174.7° | 180.0° |
H3 | C3 | H3A | H3B | 120.0° | 120.0° |
H3 | C3 | C2 | C4 | 63.8° | 59.9° |
H3A | C3 | C2 | C4 | 56.2° | 60.0° |
H3B | C3 | C2 | C4 | 176.2° | 180.0° |
C2 | C4 | H4 | H4A | 120.0° | 119.9° |
C2 | C4 | H4 | H4B | 120.0° | 120.1° |
C2 | C4 | H4A | H4B | 120.0° | 120.0° |
C4 | C2 | C5 | H5 | 64.8° | 180.0° |
C4 | C2 | C5 | H5A | 175.3° | 60.0° |
C4 | C2 | C5 | H5B | 55.2° | 60.0° |
H4 | C4 | H4A | H4B | 120.0° | 120.0° |
H5 | C5 | H5A | H5B | 120.0° | 120.0° |
N5 | C21 | C29 | O5 | 73.1° | 60.0° |
N5 | C21 | C29 | C22 | 123.9° | 120.0° |
N5 | C21 | C29 | H21 | 119.6° | 120.0° |
N5 | C21 | C22 | H21 | 119.5° | 120.0° |
N5 | C21 | C22 | H22 | 64.2° | 55.0° |
N5 | C21 | C22 | H22A | 175.8° | 175.0° |
N5 | C21 | C22 | C23 | 55.8° | 65.0° |
N5 | C21 | C29 | H29 | 167.5° | 180.0° |
N5 | C21 | C29 | C30 | 44.9° | 60.0° |
HN5 | N5 | C21 | C29 | 82.3° | 25.0° |
HN5 | N5 | C21 | C22 | 43.2° | 95.0° |
HN5 | N5 | C21 | H21 | 159.8° | 145.0° |
O5 | C29 | C21 | H29 | 119.3° | 120.1° |
O5 | C29 | C21 | C30 | 118.1° | 119.9° |
O5 | C29 | C21 | C22 | 50.8° | 60.1° |
O5 | C29 | C21 | H21 | 167.2° | 180.0° |
O5 | C29 | H29 | C30 | 117.9° | 120.0° |
O5 | C29 | C30 | C31 | 80.7° | 67.6° |
O5 | C29 | C30 | H30 | 39.3° | 52.4° |
O5 | C29 | C30 | H30A | 159.3° | 172.4° |
HO5 | O5 | C29 | C21 | 180.0° | 54.8° |
HO5 | O5 | C29 | H29 | 62.2° | 174.8° |
HO5 | O5 | C29 | C30 | 60.4° | 65.2° |
C37 | N6 | C36 | O6 | 0.6° | 5.0° |
C37 | N6 | C36 | C31 | 180.0° | 175.0° |
C37 | N6 | C36 | H55 | 180.0° | 180.0° |
N6 | C37 | H37 | H37A | 120.0° | 119.9° |
N6 | C37 | H37 | H58 | 120.0° | 120.0° |
N6 | C37 | H37A | H58 | 120.0° | 120.0° |
O6 | C36 | C31 | C30 | 61.2° | 1.9° |
O6 | C36 | C31 | N6 | 179.5° | 180.0° |
O6 | C36 | C31 | H31 | 178.0° | 118.1° |
O6 | C36 | C31 | C32 | 57.1° | 121.9° |
O6 | C36 | N6 | H55 | 179.4° | 175.0° |
C29 | C21 | C22 | H21 | 117.5° | 120.0° |
C29 | C21 | C22 | H22 | 58.8° | 65.0° |
C29 | C21 | C22 | H22A | 61.2° | 55.0° |
C29 | C21 | C22 | C23 | 178.8° | 175.0° |
C21 | C29 | H29 | C30 | 119.4° | 120.0° |
C21 | C29 | C30 | C31 | 156.4° | 172.5° |
C21 | C29 | C30 | H30 | 83.6° | 67.5° |
C21 | C29 | C30 | H30A | 36.4° | 52.5° |
C21 | C22 | H22 | H22A | 123.3° | 120.0° |
C21 | C22 | H22 | C23 | 113.4° | 120.0° |
C21 | C22 | H22A | C23 | 113.4° | 120.0° |
C21 | C22 | C23 | C25 | 178.9° | 175.0° |
C21 | C22 | C23 | C24 | 58.9° | 65.0° |
C21 | C22 | C23 | H23 | 64.3° | 55.0° |
C22 | C21 | C29 | H29 | 68.5° | 60.0° |
C22 | C21 | C29 | C30 | 168.9° | 180.0° |
H21 | C21 | C22 | H22 | 176.3° | 175.0° |
H21 | C21 | C22 | H22A | 56.3° | 65.0° |
H21 | C21 | C22 | C23 | 63.7° | 55.0° |
H21 | C21 | C29 | H29 | 47.9° | 60.0° |
H21 | C21 | C29 | C30 | 74.7° | 60.0° |
H22 | C22 | H22A | C23 | 123.3° | 120.1° |
H22 | C22 | C23 | C25 | 61.1° | 55.0° |
H22 | C22 | C23 | C24 | 178.9° | 175.0° |
H22 | C22 | C23 | H23 | 55.7° | 65.0° |
H22A | C22 | C23 | C25 | 58.9° | 65.1° |
H22A | C22 | C23 | C24 | 61.1° | 55.0° |
H22A | C22 | C23 | H23 | 175.7° | 175.0° |
C22 | C23 | C25 | C24 | 123.4° | 120.0° |
C22 | C23 | C25 | H23 | 112.8° | 120.0° |
C22 | C23 | C24 | H23 | 113.5° | 120.0° |
C22 | C23 | C24 | H24 | 78.1° | 60.0° |
C22 | C23 | C24 | H24A | 41.9° | 60.0° |
C22 | C23 | C25 | H25 | 58.1° | 60.0° |
C22 | C23 | C25 | H25A | 61.9° | 60.1° |
C22 | C23 | C24 | C26 | 161.9° | 180.0° |
C22 | C23 | C25 | C27 | 178.1° | 180.0° |
C25 | C23 | C24 | H23 | 117.9° | 120.0° |
C25 | C23 | C24 | H24 | 50.5° | 60.0° |
C25 | C23 | C24 | H24A | 170.5° | 180.0° |
C23 | C25 | H25 | H25A | 119.4° | 120.0° |
C23 | C25 | H25 | C27 | 121.1° | 120.0° |
C23 | C25 | H25A | C27 | 121.1° | 120.0° |
C25 | C23 | C24 | C26 | 69.5° | 60.0° |
C23 | C25 | C27 | C28 | 51.1° | 60.0° |
C23 | C25 | C27 | H27 | 68.9° | 60.0° |
C23 | C25 | C27 | H27A | 171.1° | 180.0° |
C23 | C24 | H24 | H24A | 119.3° | 120.0° |
C23 | C24 | H24 | C26 | 121.4° | 120.0° |
C23 | C24 | H24A | C26 | 121.4° | 120.0° |
C24 | C23 | C25 | H25 | 178.5° | 180.0° |
C24 | C23 | C25 | H25A | 61.5° | 60.0° |
C23 | C24 | C26 | C28 | 65.6° | 60.0° |
C23 | C24 | C26 | H26 | 174.4° | 180.0° |
C23 | C24 | C26 | H26A | 54.4° | 60.0° |
C24 | C23 | C25 | C27 | 58.5° | 60.0° |
H23 | C23 | C24 | H24 | 168.4° | NaN° |
H23 | C23 | C24 | H24A | 71.6° | 60.0° |
H23 | C23 | C25 | H25 | 54.7° | 60.0° |
H23 | C23 | C25 | H25A | 174.8° | 180.0° |
H23 | C23 | C24 | C26 | 48.4° | 60.0° |
H23 | C23 | C25 | C27 | 65.2° | 60.0° |
H24 | C24 | H24A | C26 | 119.3° | 120.0° |
H24 | C24 | C26 | C28 | 54.4° | 60.0° |
H24 | C24 | C26 | H26 | 65.5° | 60.0° |
H24 | C24 | C26 | H26A | 174.4° | 180.0° |
H24A | C24 | C26 | C28 | 174.4° | 180.0° |
H24A | C24 | C26 | H26 | 54.5° | 60.0° |
H24A | C24 | C26 | H26A | 65.6° | 60.0° |
H25 | C25 | H25A | C27 | 119.4° | 120.0° |
H25 | C25 | C27 | C28 | 171.1° | 180.0° |
H25 | C25 | C27 | H27 | 51.1° | 60.0° |
H25 | C25 | C27 | H27A | 68.9° | 60.0° |
H25A | C25 | C27 | C28 | 68.9° | 60.0° |
H25A | C25 | C27 | H27 | 171.1° | 179.9° |
H25A | C25 | C27 | H27A | 51.1° | 60.0° |
C24 | C26 | C28 | H26 | 120.0° | 120.0° |
C24 | C26 | C28 | H26A | 120.0° | 120.1° |
C24 | C26 | H26 | H26A | 120.9° | 120.0° |
C24 | C26 | C28 | C27 | 49.8° | 60.0° |
C24 | C26 | C28 | H28 | 70.2° | 59.9° |
C24 | C26 | C28 | H28A | 169.8° | 180.0° |
C28 | C26 | H26 | H26A | 120.9° | 120.0° |
C26 | C28 | C27 | C25 | 45.4° | 60.0° |
C26 | C28 | C27 | H28 | 120.0° | 120.0° |
C26 | C28 | C27 | H28A | 120.0° | 120.0° |
C26 | C28 | C27 | H27 | 74.6° | 60.0° |
C26 | C28 | C27 | H27A | 165.4° | 180.0° |
C26 | C28 | H28 | H28A | 119.4° | 120.0° |
H26 | C26 | C28 | C27 | 169.8° | 180.0° |
H26 | C26 | C28 | H28 | 49.8° | 60.0° |
H26 | C26 | C28 | H28A | 70.2° | 60.0° |
H26A | C26 | C28 | C27 | 70.2° | 60.1° |
H26A | C26 | C28 | H28 | 169.8° | 180.0° |
H26A | C26 | C28 | H28A | 49.8° | 59.9° |
C25 | C27 | C28 | H27 | 120.0° | 120.0° |
C25 | C27 | C28 | H27A | 120.0° | 120.0° |
C25 | C27 | H27 | H27A | 116.6° | 120.1° |
C25 | C27 | C28 | H28 | 74.6° | 60.0° |
C25 | C27 | C28 | H28A | 165.4° | 180.0° |
C28 | C27 | H27 | H27A | 116.5° | 120.0° |
C27 | C28 | H28 | H28A | 119.4° | 120.0° |
H27 | C27 | C28 | H28 | 165.4° | 180.0° |
H27 | C27 | C28 | H28A | 45.4° | 60.0° |
H27A | C27 | C28 | H28 | 45.4° | 60.0° |
H27A | C27 | C28 | H28A | 74.6° | 60.0° |
H29 | C29 | C30 | C31 | 38.6° | 52.4° |
H29 | C29 | C30 | H30 | 158.6° | 172.5° |
H29 | C29 | C30 | H30A | 81.4° | 67.5° |
C29 | C30 | C31 | H30 | 120.0° | 120.0° |
C29 | C30 | C31 | H30A | 120.0° | 120.0° |
C29 | C30 | H30 | H30A | 120.3° | 120.0° |
C29 | C30 | C31 | C36 | 89.5° | 170.7° |
C29 | C30 | C31 | H31 | 31.4° | 50.7° |
C29 | C30 | C31 | C32 | 152.3° | 69.2° |
C31 | C30 | H30 | H30A | 120.3° | 120.0° |
C30 | C31 | C36 | H31 | 120.8° | 120.0° |
C30 | C31 | C36 | C32 | 118.3° | 120.0° |
C30 | C31 | H31 | C32 | 120.0° | 120.0° |
C30 | C31 | C32 | C33 | 161.0° | 79.1° |
C30 | C31 | C32 | H32 | 79.0° | 160.9° |
C30 | C31 | C32 | H32A | 41.0° | 40.9° |
C30 | C31 | C36 | N6 | 118.2° | 178.1° |
H30 | C30 | C31 | C36 | 150.5° | 69.2° |
H30 | C30 | C31 | H31 | 88.6° | 170.8° |
H30 | C30 | C31 | C32 | 32.3° | 50.8° |
H30A | C30 | C31 | C36 | 30.5° | 50.8° |
H30A | C30 | C31 | H31 | 151.4° | 69.2° |
H30A | C30 | C31 | C32 | 87.8° | 170.8° |
C36 | C31 | H31 | C32 | 120.0° | 120.0° |
C36 | C31 | C32 | C33 | 42.8° | 40.9° |
C36 | C31 | C32 | H32 | 162.8° | 79.0° |
C36 | C31 | C32 | H32A | 77.2° | 160.9° |
C31 | C36 | N6 | H55 | 0.1° | 5.0° |
H31 | C31 | C32 | C33 | 78.1° | 160.9° |
H31 | C31 | C32 | H32 | 41.9° | 40.9° |
H31 | C31 | C32 | H32A | 161.9° | 79.1° |
H31 | C31 | C36 | N6 | 2.6° | 61.9° |
C31 | C32 | C33 | H32 | 120.0° | 120.0° |
C31 | C32 | C33 | H32A | 120.0° | 120.0° |
C31 | C32 | H32 | H32A | 119.7° | 120.1° |
C31 | C32 | C33 | H33 | 31.3° | 53.9° |
C31 | C32 | C33 | C34 | 141.4° | 173.9° |
C31 | C32 | C33 | C35 | 92.4° | 66.1° |
C32 | C31 | C36 | N6 | 123.5° | 58.1° |
C33 | C32 | H32 | H32A | 119.7° | 120.0° |
C32 | C33 | H33 | C34 | 124.2° | 120.0° |
C32 | C33 | H33 | C35 | 112.9° | 120.0° |
C32 | C33 | C34 | C35 | 116.2° | 120.0° |
C32 | C33 | C34 | H34 | 180.0° | 60.0° |
C32 | C33 | C34 | H34A | 60.0° | 180.0° |
C32 | C33 | C34 | H34B | 60.0° | 60.0° |
C32 | C33 | C35 | H35 | 180.0° | 44.2° |
C32 | C33 | C35 | H35A | 60.0° | 75.8° |
C32 | C33 | C35 | H35B | 60.0° | 164.1° |
H32 | C32 | C33 | H33 | 88.7° | 66.1° |
H32 | C32 | C33 | C34 | 21.4° | 53.9° |
H32 | C32 | C33 | C35 | 147.5° | 173.9° |
H32A | C32 | C33 | H33 | 151.3° | 173.9° |
H32A | C32 | C33 | C34 | 98.6° | 66.1° |
H32A | C32 | C33 | C35 | 27.6° | 53.8° |
H33 | C33 | C34 | C35 | 122.6° | 120.0° |
H33 | C33 | C34 | H34 | 58.8° | 180.0° |
H33 | C33 | C34 | H34A | 61.2° | 60.0° |
H33 | C33 | C34 | H34B | 178.8° | 60.0° |
H33 | C33 | C35 | H35 | 57.6° | 164.2° |
H33 | C33 | C35 | H35A | 177.6° | 44.2° |
H33 | C33 | C35 | H35B | 62.4° | 75.8° |
C33 | C34 | H34 | H34A | 120.0° | 120.0° |
C33 | C34 | H34 | H34B | 120.0° | 120.0° |
C33 | C34 | H34A | H34B | 120.0° | 120.0° |
C34 | C33 | C35 | H35 | 52.6° | 75.8° |
C34 | C33 | C35 | H35A | 67.4° | 164.2° |
C34 | C33 | C35 | H35B | 172.6° | 44.2° |
H34 | C34 | H34A | H34B | 120.0° | 120.0° |
H34 | C34 | C33 | C35 | 63.8° | 60.0° |
H34A | C34 | C33 | C35 | 176.2° | 60.0° |
H34B | C34 | C33 | C35 | 56.2° | 180.0° |
C33 | C35 | H35 | H35A | 120.0° | 120.0° |
C33 | C35 | H35 | H35B | 120.0° | 120.0° |
C33 | C35 | H35A | H35B | 120.0° | 120.0° |
H35 | C35 | H35A | H35B | 120.0° | 120.0° |
C36 | N6 | C37 | H37 | 180.0° | 60.0° |
C36 | N6 | C37 | H37A | 60.0° | 60.0° |
C36 | N6 | C37 | H58 | 60.0° | 180.0° |
H55 | N6 | C37 | H37 | 0.0° | 120.0° |
H55 | N6 | C37 | H37A | 120.0° | 120.1° |
H55 | N6 | C37 | H58 | 120.0° | 0.0° |
H37 | C37 | H37A | H58 | 120.0° | 120.0° |