PRD_000212
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.45Å | 1.49Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
C1 | C2 | sing | 1.58Å | 1.54Å | |
C1 | C3 | sing | 1.60Å | 1.55Å | |
C1 | H2 | sing | 1.06Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | O1 | doub | 1.20Å | 1.24Å | |
N2 | C4 | sing | 1.51Å | 1.49Å | |
N2 | H6 | sing | 0.94Å | 1.00Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | C6 | sing | 1.56Å | 1.56Å | |
C4 | H7 | sing | 1.04Å | 1.10Å | |
C5 | O2 | doub | 1.23Å | 1.24Å | |
C6 | C7 | sing | 1.53Å | 1.56Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.54Å | |
C7 | C9 | sing | 1.53Å | 1.54Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
C8 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C9 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C10 | O3 | doub | 1.21Å | 1.25Å | |
C10 | O4 | sing | 1.34Å | 1.25Å | |
C10 | C11 | sing | 1.50Å | 1.56Å | |
O4 | H17 | sing | 0.97Å | 0.95Å | |
C11 | N3 | sing | 1.43Å | 1.49Å | |
C11 | C12 | sing | 1.59Å | 1.57Å | |
C11 | H18 | sing | 1.08Å | 1.10Å | |
N3 | H19 | sing | 1.03Å | 1.00Å | |
C12 | C13 | sing | 1.46Å | 1.56Å | |
C12 | C14 | sing | 1.55Å | 1.55Å | |
C12 | H20 | sing | 1.14Å | 1.10Å | |
C13 | O5 | doub | 1.24Å | 8.64Å | |
C14 | H21 | sing | 1.09Å | 1.10Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
N4 | C15 | sing | 1.45Å | 1.49Å | |
N4 | H24 | sing | 1.04Å | 1.00Å | |
C15 | C16 | sing | 1.53Å | 1.55Å | |
C15 | C17 | sing | 1.53Å | 1.56Å | |
C15 | H25 | sing | 1.08Å | 1.10Å | |
C16 | O6 | doub | 1.19Å | 1.24Å | |
C17 | C18 | sing | 1.53Å | 1.55Å | |
C17 | H26 | sing | 1.09Å | 1.10Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.54Å | |
C18 | H28 | sing | 1.09Å | 1.10Å | |
C18 | H29 | sing | 1.09Å | 1.10Å | |
C19 | N5 | sing | 1.46Å | 1.49Å | |
C19 | H30 | sing | 1.09Å | 1.10Å | |
C19 | H31 | sing | 1.09Å | 1.10Å | |
N5 | C20 | sing | 1.37Å | 1.34Å | |
N5 | H32 | sing | 0.97Å | 1.00Å | |
C20 | N6 | sing | 1.33Å | 1.33Å | |
C20 | N7 | doub | 1.33Å | 1.32Å | |
N6 | H33 | sing | 0.97Å | 1.00Å | |
N6 | H34 | sing | 0.97Å | 1.00Å | |
N7 | H35 | sing | 0.97Å | 1.00Å | |
N7 | H36 | sing | 0.97Å | 1.00Å | |
C21 | O7 | sing | 1.43Å | 1.44Å | |
O7 | C22 | sing | 1.43Å | 1.46Å | |
C22 | C23 | sing | 1.53Å | 1.56Å | |
C23 | C24 | sing | 1.51Å | 1.55Å | |
C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C22 | C30 | sing | 1.53Å | 1.57Å | |
C30 | C31 | sing | 1.53Å | 1.54Å | |
C30 | C32 | sing | 1.51Å | 1.53Å | |
C32 | C33 | doub | 1.33Å | 1.36Å | |
C33 | C34 | sing | 1.51Å | 1.53Å | |
C33 | C35 | sing | 1.47Å | 1.36Å | |
C35 | C36 | doub | 1.33Å | 1.35Å | |
C36 | C37 | sing | 1.53Å | 1.54Å | |
C37 | N8 | sing | 1.40Å | 1.49Å | |
C37 | C38 | sing | 1.49Å | 1.58Å | |
C38 | C39 | sing | 1.58Å | 1.55Å | |
C38 | C40 | sing | 1.54Å | 1.56Å | |
C40 | O8 | doub | 1.25Å | 1.24Å | |
C21 | H37 | sing | 1.09Å | 1.10Å | |
C21 | H38 | sing | 1.09Å | 1.10Å | |
C21 | H39 | sing | 1.09Å | 1.10Å | |
C22 | H40 | sing | 1.09Å | 1.10Å | |
C23 | H41 | sing | 1.09Å | 1.10Å | |
C23 | H42 | sing | 1.09Å | 1.10Å | |
C25 | H43 | sing | 1.08Å | 1.08Å | |
C26 | H44 | sing | 1.08Å | 1.08Å | |
C27 | H45 | sing | 1.08Å | 1.08Å | |
C28 | H46 | sing | 1.08Å | 1.08Å | |
C29 | H47 | sing | 1.08Å | 1.08Å | |
C30 | H48 | sing | 1.09Å | 1.10Å | |
C31 | H49 | sing | 1.09Å | 1.10Å | |
C31 | H50 | sing | 1.09Å | 1.10Å | |
C31 | H51 | sing | 1.09Å | 1.10Å | |
C32 | H52 | sing | 1.08Å | 1.08Å | |
C34 | H53 | sing | 1.09Å | 1.10Å | |
C34 | H54 | sing | 1.09Å | 1.10Å | |
C34 | H55 | sing | 1.09Å | 1.10Å | |
C35 | H56 | sing | 1.08Å | 1.08Å | |
C36 | H57 | sing | 1.08Å | 1.08Å | |
C37 | H58 | sing | 1.14Å | 1.10Å | |
N8 | H59 | sing | 0.99Å | 1.00Å | |
C38 | H60 | sing | 1.04Å | 1.10Å | |
C39 | H61 | sing | 1.09Å | 1.10Å | |
C39 | H62 | sing | 1.09Å | 1.10Å | |
C39 | H63 | sing | 1.09Å | 1.10Å | |
N9 | C41 | sing | 1.54Å | 1.49Å | |
N9 | H64 | sing | 0.99Å | 1.00Å | |
C41 | C42 | sing | 1.44Å | 1.54Å | |
C41 | C43 | sing | 1.53Å | 1.56Å | |
C41 | H65 | sing | 1.08Å | 1.10Å | |
C42 | O9 | doub | 1.21Å | 1.25Å | |
C42 | O11 | sing | 1.34Å | 12.75Å | |
C43 | C44 | sing | 1.53Å | 1.55Å | |
C43 | H66 | sing | 1.06Å | 1.10Å | |
C43 | H67 | sing | 1.13Å | 1.10Å | |
C44 | C45 | sing | 1.43Å | 1.55Å | |
C44 | H68 | sing | 1.10Å | 1.10Å | |
C44 | H69 | sing | 1.10Å | 1.10Å | |
C45 | O10 | doub | 1.30Å | 1.23Å | |
O11 | H70 | sing | 0.97Å | 0.00Å | |
N10 | C46 | sing | 1.51Å | 1.49Å | |
N10 | C47 | sing | 1.42Å | 1.47Å | |
C46 | H71 | sing | 1.09Å | 1.10Å | |
C46 | H72 | sing | 1.09Å | 1.10Å | |
C46 | H73 | sing | 1.09Å | 1.10Å | |
C47 | C48 | doub | 1.33Å | 1.34Å | |
C47 | C49 | sing | 1.46Å | 1.55Å | |
C48 | H74 | sing | 1.08Å | 1.08Å | |
C48 | H75 | sing | 1.08Å | 1.08Å | |
C49 | O12 | doub | 1.29Å | 1.24Å | |
N1 | C49 | sing | 1.26Å | 1.35Å | |
C3 | N2 | sing | 1.33Å | 1.35Å | |
N3 | C5 | sing | 1.36Å | 1.35Å | |
C13 | N4 | sing | 1.35Å | 1.35Å | |
C16 | N8 | sing | 1.38Å | 1.35Å | |
C40 | N9 | sing | 1.33Å | 1.35Å | |
C45 | N10 | sing | 1.35Å | 1.37Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | H1 | 117.9° | 116.7° |
N1 | C1 | C2 | 107.7° | 109.6° |
N1 | C1 | C3 | 116.6° | 109.8° |
N1 | C1 | H2 | 107.4° | 113.9° |
C1 | N1 | C49 | 124.1° | 123.0° |
H1 | N1 | C49 | 117.9° | 119.7° |
C2 | C1 | C3 | 111.2° | 104.1° |
C2 | C1 | H2 | 106.8° | 111.3° |
C1 | C2 | H3 | 109.5° | 109.5° |
C1 | C2 | H4 | 109.5° | 109.5° |
C1 | C2 | H5 | 109.5° | 109.5° |
C3 | C1 | H2 | 106.7° | 107.6° |
C1 | C3 | O1 | 120.4° | 120.1° |
C1 | C3 | N2 | 116.5° | 116.6° |
H3 | C2 | H4 | 109.4° | 109.4° |
H3 | C2 | H5 | 109.5° | 109.5° |
H4 | C2 | H5 | 109.5° | 109.5° |
O1 | C3 | N2 | 123.1° | 123.3° |
C4 | N2 | H6 | 118.0° | 119.3° |
N2 | C4 | C5 | 108.0° | 111.7° |
N2 | C4 | C6 | 110.3° | 106.6° |
N2 | C4 | H7 | 109.5° | 109.7° |
C4 | N2 | C3 | 124.0° | 112.9° |
H6 | N2 | C3 | 118.0° | 127.5° |
C5 | C4 | C6 | 111.9° | 107.3° |
C5 | C4 | H7 | 108.6° | 111.2° |
C4 | C5 | O2 | 120.5° | 117.3° |
C4 | C5 | N3 | 116.6° | 119.4° |
C6 | C4 | H7 | 108.6° | 110.2° |
C4 | C6 | C7 | 117.1° | 109.5° |
C4 | C6 | H8 | 107.5° | 109.4° |
C4 | C6 | H9 | 107.5° | 109.5° |
O2 | C5 | N3 | 122.8° | 123.2° |
C7 | C6 | H8 | 107.5° | 109.5° |
C7 | C6 | H9 | 107.5° | 109.5° |
C6 | C7 | C8 | 115.1° | 109.4° |
C6 | C7 | C9 | 110.2° | 109.5° |
C6 | C7 | H10 | 107.1° | 109.5° |
H8 | C6 | H9 | 109.5° | 109.5° |
C8 | C7 | C9 | 109.6° | 109.5° |
C8 | C7 | H10 | 107.2° | 109.5° |
C7 | C8 | H11 | 109.5° | 109.4° |
C7 | C8 | H12 | 109.5° | 109.5° |
C7 | C8 | H13 | 109.5° | 109.5° |
C9 | C7 | H10 | 107.2° | 109.5° |
C7 | C9 | H14 | 109.5° | 109.5° |
C7 | C9 | H15 | 109.4° | 109.5° |
C7 | C9 | H16 | 109.5° | 109.5° |
H11 | C8 | H12 | 109.4° | 109.4° |
H11 | C8 | H13 | 109.4° | 109.5° |
H12 | C8 | H13 | 109.5° | 109.5° |
H14 | C9 | H15 | 109.5° | 109.5° |
H14 | C9 | H16 | 109.5° | 109.5° |
H15 | C9 | H16 | 109.5° | 109.4° |
O3 | C10 | O4 | 121.5° | 120.0° |
O3 | C10 | C11 | 118.6° | 120.0° |
O4 | C10 | C11 | 119.9° | 120.0° |
C10 | O4 | H17 | 109.5° | 117.0° |
C10 | C11 | N3 | 114.1° | 112.5° |
C10 | C11 | C12 | 115.2° | 110.0° |
C10 | C11 | H18 | 102.3° | 112.7° |
N3 | C11 | C12 | 117.2° | 108.2° |
N3 | C11 | H18 | 102.9° | 106.8° |
C11 | N3 | H19 | 117.6° | 119.2° |
C11 | N3 | C5 | 124.7° | 123.0° |
C12 | C11 | H18 | 102.2° | 106.3° |
C11 | C12 | C13 | 116.0° | 110.0° |
C11 | C12 | C14 | 112.3° | 111.2° |
C11 | C12 | H20 | 105.6° | 107.5° |
H19 | N3 | C5 | 117.7° | 117.4° |
C13 | C12 | C14 | 110.5° | 110.6° |
C13 | C12 | H20 | 105.8° | 112.0° |
C12 | C13 | O5 | 70.5° | 117.8° |
C12 | C13 | N4 | 116.4° | 119.0° |
C14 | C12 | H20 | 105.8° | 105.4° |
C12 | C14 | H21 | 109.5° | 109.5° |
C12 | C14 | H22 | 109.5° | 109.4° |
C12 | C14 | H23 | 109.5° | 109.5° |
O5 | C13 | N4 | 45.9° | 122.3° |
H21 | C14 | H22 | 109.4° | 109.5° |
H21 | C14 | H23 | 109.5° | 109.5° |
H22 | C14 | H23 | 109.5° | 109.5° |
C15 | N4 | H24 | 118.0° | 121.4° |
N4 | C15 | C16 | 111.5° | 108.1° |
N4 | C15 | C17 | 109.7° | 113.9° |
N4 | C15 | H25 | 108.4° | 109.7° |
C15 | N4 | C13 | 124.1° | 120.8° |
H24 | N4 | C13 | 117.9° | 117.3° |
C16 | C15 | C17 | 111.8° | 107.8° |
C16 | C15 | H25 | 107.7° | 107.6° |
C15 | C16 | O6 | 120.3° | 117.9° |
C15 | C16 | N8 | 116.7° | 120.1° |
C17 | C15 | H25 | 107.6° | 109.5° |
C15 | C17 | C18 | 117.8° | 109.5° |
C15 | C17 | H26 | 107.4° | 109.4° |
C15 | C17 | H27 | 107.3° | 109.5° |
O6 | C16 | N8 | 122.8° | 122.0° |
C18 | C17 | H26 | 107.3° | 109.4° |
C18 | C17 | H27 | 107.4° | 109.5° |
C17 | C18 | C19 | 117.7° | 109.5° |
C17 | C18 | H28 | 107.4° | 109.5° |
C17 | C18 | H29 | 107.4° | 109.5° |
H26 | C17 | H27 | 109.5° | 109.5° |
C19 | C18 | H28 | 107.4° | 109.5° |
C19 | C18 | H29 | 107.4° | 109.5° |
C18 | C19 | N5 | 112.1° | 109.5° |
C18 | C19 | H30 | 108.8° | 109.5° |
C18 | C19 | H31 | 108.8° | 109.5° |
H28 | C18 | H29 | 109.4° | 109.5° |
N5 | C19 | H30 | 108.8° | 109.4° |
N5 | C19 | H31 | 108.8° | 109.4° |
C19 | N5 | C20 | 125.0° | 120.0° |
C19 | N5 | H32 | 117.5° | 120.0° |
H30 | C19 | H31 | 109.5° | 109.5° |
C20 | N5 | H32 | 117.5° | 120.0° |
N5 | C20 | N6 | 124.0° | 120.0° |
N5 | C20 | N7 | 118.0° | 120.0° |
N6 | C20 | N7 | 118.0° | 120.0° |
C20 | N6 | H33 | 120.0° | 120.0° |
C20 | N6 | H34 | 120.0° | 120.1° |
C20 | N7 | H35 | 120.0° | 120.0° |
C20 | N7 | H36 | 120.0° | 120.0° |
H33 | N6 | H34 | 120.0° | 120.0° |
H35 | N7 | H36 | 120.0° | 120.1° |
C21 | O7 | C22 | 117.2° | 114.1° |
O7 | C21 | H37 | 109.5° | 109.4° |
O7 | C21 | H38 | 109.5° | 109.5° |
O7 | C21 | H39 | 109.4° | 109.5° |
O7 | C22 | C23 | 110.1° | 109.5° |
O7 | C22 | C30 | 108.8° | 109.5° |
O7 | C22 | H40 | 106.9° | 109.4° |
C22 | C23 | C24 | 118.3° | 109.5° |
C23 | C22 | C30 | 118.8° | 109.5° |
C23 | C22 | H40 | 105.7° | 109.4° |
C22 | C23 | H41 | 107.2° | 109.5° |
C22 | C23 | H42 | 107.2° | 109.5° |
C23 | C24 | C25 | 120.6° | 120.0° |
C23 | C24 | C29 | 120.4° | 120.0° |
C24 | C23 | H41 | 107.3° | 109.5° |
C24 | C23 | H42 | 107.2° | 109.4° |
C24 | C25 | C26 | 120.5° | 120.0° |
C25 | C24 | C29 | 119.1° | 120.0° |
C24 | C25 | H43 | 119.7° | 120.0° |
C25 | C26 | C27 | 119.8° | 120.0° |
C26 | C25 | H43 | 119.8° | 120.0° |
C25 | C26 | H44 | 120.1° | 120.0° |
C26 | C27 | C28 | 120.3° | 120.0° |
C27 | C26 | H44 | 120.1° | 120.0° |
C26 | C27 | H45 | 119.9° | 120.0° |
C27 | C28 | C29 | 119.8° | 120.0° |
C28 | C27 | H45 | 119.8° | 120.1° |
C27 | C28 | H46 | 120.1° | 120.0° |
C28 | C29 | C24 | 120.5° | 120.0° |
C29 | C28 | H46 | 120.1° | 120.0° |
C28 | C29 | H47 | 119.7° | 120.0° |
C24 | C29 | H47 | 119.8° | 120.0° |
C22 | C30 | C31 | 112.6° | 109.5° |
C22 | C30 | C32 | 114.3° | 109.5° |
C30 | C22 | H40 | 105.7° | 109.5° |
C22 | C30 | H48 | 106.3° | 109.5° |
C31 | C30 | C32 | 109.8° | 109.5° |
C31 | C30 | H48 | 106.5° | 109.4° |
C30 | C31 | H49 | 109.5° | 109.5° |
C30 | C31 | H50 | 109.4° | 109.5° |
C30 | C31 | H51 | 109.5° | 109.5° |
C30 | C32 | C33 | 130.2° | 120.0° |
C32 | C30 | H48 | 106.7° | 109.5° |
C30 | C32 | H52 | 114.9° | 120.0° |
C32 | C33 | C34 | 120.4° | 120.0° |
C32 | C33 | C35 | 117.2° | 120.0° |
C33 | C32 | H52 | 114.9° | 120.0° |
C34 | C33 | C35 | 122.4° | 120.0° |
C33 | C34 | H53 | 109.5° | 109.5° |
C33 | C34 | H54 | 109.5° | 109.5° |
C33 | C34 | H55 | 109.5° | 109.5° |
C33 | C35 | C36 | 129.8° | 120.0° |
C33 | C35 | H56 | 115.1° | 120.0° |
C35 | C36 | C37 | 127.1° | 120.0° |
C36 | C35 | H56 | 115.1° | 120.0° |
C35 | C36 | H57 | 116.4° | 120.0° |
C36 | C37 | N8 | 112.7° | 109.8° |
C36 | C37 | C38 | 114.7° | 107.4° |
C37 | C36 | H57 | 116.5° | 120.0° |
C36 | C37 | H58 | 105.2° | 108.6° |
N8 | C37 | C38 | 112.8° | 109.7° |
N8 | C37 | H58 | 105.6° | 112.2° |
C37 | N8 | H59 | 117.9° | 121.1° |
C37 | N8 | C16 | 124.1° | 118.3° |
C37 | C38 | C39 | 115.1° | 109.4° |
C37 | C38 | C40 | 112.4° | 110.6° |
C38 | C37 | H58 | 104.8° | 109.0° |
C37 | C38 | H60 | 105.4° | 109.4° |
C39 | C38 | C40 | 111.7° | 106.8° |
C39 | C38 | H60 | 105.7° | 110.5° |
C38 | C39 | H61 | 109.5° | 109.4° |
C38 | C39 | H62 | 109.5° | 109.4° |
C38 | C39 | H63 | 109.5° | 109.5° |
C38 | C40 | O8 | 121.2° | 118.6° |
C40 | C38 | H60 | 105.6° | 110.1° |
C38 | C40 | N9 | 115.8° | 120.4° |
O8 | C40 | N9 | 123.0° | 121.0° |
H37 | C21 | H38 | 109.5° | 109.4° |
H37 | C21 | H39 | 109.5° | 109.5° |
H38 | C21 | H39 | 109.5° | 109.5° |
H41 | C23 | H42 | 109.5° | 109.4° |
H49 | C31 | H50 | 109.5° | 109.5° |
H49 | C31 | H51 | 109.4° | 109.4° |
H50 | C31 | H51 | 109.5° | 109.4° |
H53 | C34 | H54 | 109.5° | 109.4° |
H53 | C34 | H55 | 109.5° | 109.5° |
H54 | C34 | H55 | 109.5° | 109.5° |
H59 | N8 | C16 | 118.0° | 120.6° |
H61 | C39 | H62 | 109.5° | 109.5° |
H61 | C39 | H63 | 109.5° | 109.5° |
H62 | C39 | H63 | 109.5° | 109.5° |
C41 | N9 | H64 | 118.0° | 116.3° |
N9 | C41 | C42 | 107.8° | 111.9° |
N9 | C41 | C43 | 116.0° | 105.3° |
N9 | C41 | H65 | 107.3° | 107.7° |
C41 | N9 | C40 | 124.1° | 117.0° |
H64 | N9 | C40 | 118.0° | 126.7° |
C42 | C41 | C43 | 112.3° | 110.0° |
C42 | C41 | H65 | 106.6° | 114.0° |
C41 | C42 | O9 | 120.0° | 120.0° |
C41 | C42 | O11 | 47.6° | 120.0° |
C43 | C41 | H65 | 106.4° | 107.5° |
C41 | C43 | C44 | 116.8° | 113.4° |
C41 | C43 | H66 | 107.6° | 111.0° |
C41 | C43 | H67 | 107.6° | 111.3° |
O9 | C42 | O11 | 98.2° | 120.0° |
C42 | O11 | H70 | 90.0° | 117.0° |
C44 | C43 | H66 | 107.6° | 109.9° |
C44 | C43 | H67 | 107.6° | 105.7° |
C43 | C44 | C45 | 117.6° | 112.3° |
C43 | C44 | H68 | 107.4° | 108.9° |
C43 | C44 | H69 | 107.4° | 105.8° |
H66 | C43 | H67 | 109.5° | 105.1° |
C45 | C44 | H68 | 107.4° | 115.1° |
C45 | C44 | H69 | 107.4° | 107.9° |
C44 | C45 | O10 | 115.8° | 118.9° |
C44 | C45 | N10 | 123.5° | 124.9° |
H68 | C44 | H69 | 109.5° | 106.2° |
O10 | C45 | N10 | 120.7° | 116.2° |
C46 | N10 | C47 | 117.3° | 119.1° |
N10 | C46 | H71 | 109.5° | 109.5° |
N10 | C46 | H72 | 109.5° | 109.5° |
N10 | C46 | H73 | 109.5° | 109.5° |
C46 | N10 | C45 | 121.0° | 121.4° |
N10 | C47 | C48 | 120.1° | 116.8° |
N10 | C47 | C49 | 119.0° | 120.9° |
C47 | N10 | C45 | 121.7° | 119.1° |
H71 | C46 | H72 | 109.5° | 109.4° |
H71 | C46 | H73 | 109.5° | 109.5° |
H72 | C46 | H73 | 109.4° | 109.4° |
C48 | C47 | C49 | 118.9° | 122.3° |
C47 | C48 | H74 | 120.0° | 120.0° |
C47 | C48 | H75 | 120.0° | 120.0° |
C47 | C49 | O12 | 120.5° | 115.5° |
C47 | C49 | N1 | 116.5° | 130.0° |
H74 | C48 | H75 | 120.0° | 120.0° |
O12 | C49 | N1 | 123.0° | 114.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | C49 | 180.0° | 171.3° |
N1 | C1 | C2 | C3 | 128.9° | 117.4° |
N1 | C1 | C2 | H2 | 115.1° | 126.9° |
N1 | C1 | C3 | H2 | 119.9° | 124.5° |
N1 | C1 | C2 | H3 | 180.0° | 60.0° |
N1 | C1 | C2 | H4 | 60.0° | 179.9° |
N1 | C1 | C2 | H5 | 60.0° | 60.0° |
N1 | C1 | C3 | O1 | 158.0° | 4.1° |
C1 | N1 | C49 | C47 | 178.4° | 24.5° |
C1 | N1 | C49 | O12 | 1.7° | 148.7° |
N1 | C1 | C3 | N2 | 23.8° | 174.2° |
H1 | N1 | C1 | C2 | 112.1° | 47.7° |
H1 | N1 | C1 | C3 | 13.7° | 66.1° |
H1 | N1 | C1 | H2 | 133.2° | 173.2° |
H1 | N1 | C49 | C47 | 1.6° | 146.2° |
H1 | N1 | C49 | O12 | 178.3° | 40.6° |
C2 | C1 | C3 | H2 | 116.1° | 118.3° |
C1 | C2 | H3 | H4 | 120.0° | 119.9° |
C1 | C2 | H3 | H5 | 120.0° | 120.1° |
C1 | C2 | H4 | H5 | 120.0° | 120.1° |
C2 | C1 | C3 | O1 | 34.0° | 113.1° |
C2 | C1 | N1 | C49 | 67.9° | 141.4° |
C2 | C1 | C3 | N2 | 147.8° | 68.5° |
C3 | C1 | C2 | H3 | 51.1° | 177.5° |
C3 | C1 | C2 | H4 | 68.8° | 62.6° |
C3 | C1 | C2 | H5 | 171.1° | 57.4° |
C1 | C3 | O1 | N2 | 178.1° | 178.2° |
C1 | C3 | N2 | C4 | 180.0° | 175.5° |
C1 | C3 | N2 | H6 | 0.1° | 10.2° |
C3 | C1 | N1 | C49 | 166.3° | 104.9° |
H2 | C1 | C2 | H3 | 64.9° | 66.9° |
H2 | C1 | C2 | H4 | 175.1° | 53.0° |
H2 | C1 | C2 | H5 | 55.1° | 173.1° |
H2 | C1 | C3 | O1 | 82.1° | 128.6° |
H2 | C1 | N1 | C49 | 46.8° | 15.9° |
H2 | C1 | C3 | N2 | 96.2° | 49.7° |
H3 | C2 | H4 | H5 | 120.0° | 120.0° |
O1 | C3 | N2 | C4 | 1.8° | 6.2° |
O1 | C3 | N2 | H6 | 178.3° | 168.1° |
C4 | N2 | H6 | C3 | 180.0° | 174.0° |
N2 | C4 | C5 | C6 | 121.5° | 116.5° |
N2 | C4 | C5 | H7 | 118.6° | 122.9° |
N2 | C4 | C6 | H7 | 119.9° | 118.9° |
N2 | C4 | C5 | O2 | 139.8° | 0.2° |
N2 | C4 | C6 | C7 | 41.1° | 66.3° |
N2 | C4 | C6 | H8 | 80.0° | 53.7° |
N2 | C4 | C6 | H9 | 162.2° | 173.8° |
N2 | C4 | C5 | N3 | 44.1° | 177.7° |
H6 | N2 | C4 | C5 | 113.1° | 71.6° |
H6 | N2 | C4 | C6 | 9.4° | 45.3° |
H6 | N2 | C4 | H7 | 128.8° | 164.6° |
C5 | C4 | C6 | H7 | 119.9° | 121.2° |
C4 | C5 | O2 | N3 | 175.9° | 177.3° |
C5 | C4 | C6 | C7 | 161.3° | 173.9° |
C5 | C4 | C6 | H8 | 40.2° | 66.1° |
C5 | C4 | C6 | H9 | 77.6° | 53.9° |
C4 | C5 | N3 | C11 | 177.7° | 169.6° |
C4 | C5 | N3 | H19 | 2.3° | 3.0° |
C5 | C4 | N2 | C3 | 66.9° | 103.2° |
C6 | C4 | C5 | O2 | 98.7° | 116.7° |
C4 | C6 | C7 | H8 | 121.1° | 120.0° |
C4 | C6 | C7 | H9 | 121.1° | 120.0° |
C4 | C6 | H8 | H9 | 116.5° | 120.0° |
C4 | C6 | C7 | C8 | 165.2° | 174.4° |
C4 | C6 | C7 | C9 | 40.6° | 65.6° |
C4 | C6 | C7 | H10 | 75.7° | 54.4° |
C6 | C4 | N2 | C3 | 170.6° | 139.9° |
C6 | C4 | C5 | N3 | 77.5° | 65.8° |
H7 | C4 | C5 | O2 | 21.2° | 122.7° |
H7 | C4 | C6 | C7 | 78.8° | 52.7° |
H7 | C4 | C6 | H8 | 160.1° | 172.7° |
H7 | C4 | C6 | H9 | 42.3° | 67.3° |
H7 | C4 | N2 | C3 | 51.2° | 20.6° |
H7 | C4 | C5 | N3 | 162.7° | 54.8° |
O2 | C5 | N3 | C11 | 1.7° | 13.1° |
O2 | C5 | N3 | H19 | 178.3° | 174.3° |
C7 | C6 | H8 | H9 | 116.5° | 120.0° |
C6 | C7 | C8 | C9 | 124.9° | 120.1° |
C6 | C7 | C8 | H10 | 119.0° | 120.0° |
C6 | C7 | C9 | H10 | 116.2° | 120.0° |
C6 | C7 | C8 | H11 | 180.0° | 64.8° |
C6 | C7 | C8 | H12 | 60.0° | 175.3° |
C6 | C7 | C8 | H13 | 60.0° | 55.2° |
C6 | C7 | C9 | H14 | 180.0° | 60.0° |
C6 | C7 | C9 | H15 | 60.0° | 180.0° |
C6 | C7 | C9 | H16 | 60.0° | 60.0° |
H8 | C6 | C7 | C8 | 73.7° | 54.4° |
H8 | C6 | C7 | C9 | 161.7° | 174.4° |
H8 | C6 | C7 | H10 | 45.4° | 65.6° |
H9 | C6 | C7 | C8 | 44.1° | 65.7° |
H9 | C6 | C7 | C9 | 80.5° | 54.4° |
H9 | C6 | C7 | H10 | 163.2° | 174.4° |
C8 | C7 | C9 | H10 | 116.1° | 120.0° |
C7 | C8 | H11 | H12 | 120.0° | 120.0° |
C7 | C8 | H11 | H13 | 120.0° | 120.0° |
C7 | C8 | H12 | H13 | 120.0° | 120.1° |
C8 | C7 | C9 | H14 | 52.3° | 180.0° |
C8 | C7 | C9 | H15 | 67.7° | 60.0° |
C8 | C7 | C9 | H16 | 172.3° | 60.0° |
C9 | C7 | C8 | H11 | 55.1° | 55.3° |
C9 | C7 | C8 | H12 | 175.1° | 64.7° |
C9 | C7 | C8 | H13 | 64.9° | 175.3° |
C7 | C9 | H14 | H15 | 120.0° | 120.1° |
C7 | C9 | H14 | H16 | 120.0° | 120.0° |
C7 | C9 | H15 | H16 | 120.0° | 120.0° |
H10 | C7 | C8 | H11 | 61.0° | 175.2° |
H10 | C7 | C8 | H12 | 59.0° | 55.3° |
H10 | C7 | C8 | H13 | 179.0° | 64.7° |
H10 | C7 | C9 | H14 | 63.8° | 60.0° |
H10 | C7 | C9 | H15 | 176.2° | 60.0° |
H10 | C7 | C9 | H16 | 56.2° | 180.0° |
H11 | C8 | H12 | H13 | 120.0° | 120.0° |
H14 | C9 | H15 | H16 | 120.0° | 120.0° |
O3 | C10 | O4 | C11 | 180.0° | 180.0° |
O3 | C10 | O4 | H17 | 0.0° | 2.1° |
O3 | C10 | C11 | N3 | 19.4° | 31.8° |
O3 | C10 | C11 | C12 | 120.4° | 88.9° |
O3 | C10 | C11 | H18 | 129.7° | 152.6° |
O4 | C10 | C11 | N3 | 160.6° | 148.2° |
O4 | C10 | C11 | C12 | 59.6° | 91.1° |
O4 | C10 | C11 | H18 | 50.3° | 27.4° |
C11 | C10 | O4 | H17 | 180.0° | 177.9° |
C10 | C11 | N3 | C12 | 138.9° | 121.7° |
C10 | C11 | N3 | H18 | 109.9° | 124.2° |
C10 | C11 | C12 | H18 | 110.0° | 122.3° |
C10 | C11 | N3 | H19 | 58.4° | 134.7° |
C10 | C11 | C12 | C13 | 47.9° | 2.7° |
C10 | C11 | C12 | C14 | 176.4° | 125.5° |
C10 | C11 | C12 | H20 | 68.8° | 119.5° |
C10 | C11 | N3 | C5 | 121.6° | 37.7° |
N3 | C11 | C12 | H18 | 111.5° | 114.4° |
C11 | N3 | H19 | C5 | 180.0° | 172.9° |
N3 | C11 | C12 | C13 | 90.6° | 120.6° |
N3 | C11 | C12 | C14 | 37.8° | 2.2° |
N3 | C11 | C12 | H20 | 152.7° | 117.2° |
C12 | C11 | N3 | H19 | 80.5° | 103.5° |
C11 | C12 | C13 | C14 | 129.3° | 123.2° |
C11 | C12 | C13 | H20 | 116.6° | 119.5° |
C11 | C12 | C14 | H20 | 114.7° | 116.3° |
C11 | C12 | C13 | O5 | 121.6° | 88.0° |
C11 | C12 | C14 | H21 | 180.0° | 60.0° |
C11 | C12 | C14 | H22 | 60.0° | 180.0° |
C11 | C12 | C14 | H23 | 60.0° | 60.0° |
C12 | C11 | N3 | C5 | 99.5° | 84.0° |
C11 | C12 | C13 | N4 | 121.9° | 102.4° |
H18 | C11 | N3 | H19 | 168.4° | 10.5° |
H18 | C11 | C12 | C13 | 157.9° | 125.0° |
H18 | C11 | C12 | C14 | 73.7° | 112.1° |
H18 | C11 | C12 | H20 | 41.2° | 2.8° |
H18 | C11 | N3 | C5 | 11.6° | 161.9° |
C13 | C12 | C14 | H20 | 114.1° | 121.2° |
C12 | C13 | O5 | N4 | 179.6° | 169.3° |
C13 | C12 | C14 | H21 | 48.8° | 177.5° |
C13 | C12 | C14 | H22 | 71.2° | 57.5° |
C13 | C12 | C14 | H23 | 168.8° | 62.5° |
C12 | C13 | N4 | C15 | 175.9° | 177.4° |
C12 | C13 | N4 | H24 | 4.1° | 10.1° |
C14 | C12 | C13 | O5 | 109.2° | 35.2° |
C12 | C14 | H21 | H22 | 120.0° | 120.0° |
C12 | C14 | H21 | H23 | 120.0° | 120.0° |
C12 | C14 | H22 | H23 | 120.0° | 120.0° |
C14 | C12 | C13 | N4 | 108.8° | 134.4° |
H20 | C12 | C13 | O5 | 4.9° | 152.5° |
H20 | C12 | C14 | H21 | 65.3° | 56.2° |
H20 | C12 | C14 | H22 | 174.7° | 63.7° |
H20 | C12 | C14 | H23 | 54.7° | 176.2° |
H20 | C12 | C13 | N4 | 5.3° | 17.2° |
O5 | C13 | N4 | C15 | 175.5° | 8.2° |
O5 | C13 | N4 | H24 | 4.5° | 179.2° |
H21 | C14 | H22 | H23 | 120.0° | 120.0° |
C15 | N4 | H24 | C13 | 180.0° | 172.5° |
N4 | C15 | C16 | C17 | 123.2° | 123.6° |
N4 | C15 | C16 | H25 | 118.8° | 118.4° |
N4 | C15 | C17 | H25 | 117.7° | 123.3° |
N4 | C15 | C16 | O6 | 155.9° | 5.3° |
N4 | C15 | C17 | C18 | 96.9° | 66.7° |
N4 | C15 | C17 | H26 | 141.9° | 53.3° |
N4 | C15 | C17 | H27 | 24.3° | 173.3° |
N4 | C15 | C16 | N8 | 28.0° | 177.2° |
H24 | N4 | C15 | C16 | 56.8° | 127.5° |
H24 | N4 | C15 | C17 | 67.5° | 112.7° |
H24 | N4 | C15 | H25 | 175.2° | 10.5° |
C16 | C15 | C17 | H25 | 118.0° | 116.8° |
C15 | C16 | O6 | N8 | 175.9° | 177.4° |
C16 | C15 | C17 | C18 | 27.3° | 173.4° |
C16 | C15 | C17 | H26 | 93.9° | 66.7° |
C16 | C15 | C17 | H27 | 148.6° | 53.3° |
C15 | C16 | N8 | C37 | 174.9° | 179.6° |
C15 | C16 | N8 | H59 | 5.1° | 3.5° |
C16 | C15 | N4 | C13 | 123.2° | 60.2° |
C17 | C15 | C16 | O6 | 32.7° | 128.9° |
C15 | C17 | C18 | H26 | 121.2° | 119.9° |
C15 | C17 | C18 | H27 | 121.2° | 120.1° |
C15 | C17 | H26 | H27 | 116.2° | 120.1° |
C15 | C17 | C18 | C19 | 155.0° | 175.9° |
C15 | C17 | C18 | H28 | 33.8° | 64.1° |
C15 | C17 | C18 | H29 | 83.8° | 55.9° |
C17 | C15 | N4 | C13 | 112.5° | 59.6° |
C17 | C15 | C16 | N8 | 151.2° | 53.6° |
H25 | C15 | C16 | O6 | 85.3° | 113.1° |
H25 | C15 | C17 | C18 | 145.4° | 56.6° |
H25 | C15 | C17 | H26 | 24.2° | 176.5° |
H25 | C15 | C17 | H27 | 93.4° | 63.5° |
H25 | C15 | N4 | C13 | 4.7° | 177.3° |
H25 | C15 | C16 | N8 | 90.8° | 64.4° |
O6 | C16 | N8 | C37 | 1.0° | 3.0° |
O6 | C16 | N8 | H59 | 179.0° | 173.9° |
C18 | C17 | H26 | H27 | 116.2° | 120.0° |
C17 | C18 | C19 | H28 | 121.2° | 120.0° |
C17 | C18 | C19 | H29 | 121.2° | 120.0° |
C17 | C18 | H28 | H29 | 116.2° | 120.0° |
C17 | C18 | C19 | N5 | 97.4° | 180.0° |
C17 | C18 | C19 | H30 | 142.2° | 60.0° |
C17 | C18 | C19 | H31 | 23.0° | 60.0° |
H26 | C17 | C18 | C19 | 83.8° | 56.0° |
H26 | C17 | C18 | H28 | 155.0° | 176.0° |
H26 | C17 | C18 | H29 | 37.4° | 64.0° |
H27 | C17 | C18 | C19 | 33.8° | 64.0° |
H27 | C17 | C18 | H28 | 87.4° | 56.0° |
H27 | C17 | C18 | H29 | 155.0° | 176.0° |
C19 | C18 | H28 | H29 | 116.3° | 120.0° |
C18 | C19 | N5 | H30 | 120.4° | 120.0° |
C18 | C19 | N5 | H31 | 120.4° | 120.0° |
C18 | C19 | H30 | H31 | 118.8° | 120.1° |
C18 | C19 | N5 | C20 | 116.4° | 180.0° |
C18 | C19 | N5 | H32 | 63.6° | 0.0° |
H28 | C18 | C19 | N5 | 23.8° | 60.0° |
H28 | C18 | C19 | H30 | 96.6° | 180.0° |
H28 | C18 | C19 | H31 | 144.2° | 60.0° |
H29 | C18 | C19 | N5 | 141.4° | 60.0° |
H29 | C18 | C19 | H30 | 21.0° | 59.9° |
H29 | C18 | C19 | H31 | 98.2° | 180.0° |
N5 | C19 | H30 | H31 | 118.8° | 119.9° |
C19 | N5 | C20 | H32 | 180.0° | 179.9° |
C19 | N5 | C20 | N6 | 0.1° | 0.1° |
C19 | N5 | C20 | N7 | 179.9° | 180.0° |
H30 | C19 | N5 | C20 | 4.0° | 59.9° |
H30 | C19 | N5 | H32 | 176.0° | 120.0° |
H31 | C19 | N5 | C20 | 123.2° | 60.0° |
H31 | C19 | N5 | H32 | 56.8° | 120.1° |
N5 | C20 | N6 | N7 | 180.0° | 179.9° |
N5 | C20 | N6 | H33 | 180.0° | 0.0° |
N5 | C20 | N6 | H34 | 0.0° | 179.9° |
N5 | C20 | N7 | H35 | 180.0° | 180.0° |
N5 | C20 | N7 | H36 | 0.0° | 0.1° |
H32 | N5 | C20 | N6 | 179.9° | 180.0° |
H32 | N5 | C20 | N7 | 0.1° | 0.1° |
C20 | N6 | H33 | H34 | 179.9° | 180.0° |
N6 | C20 | N7 | H35 | 0.0° | 0.1° |
N6 | C20 | N7 | H36 | 180.0° | 180.0° |
N7 | C20 | N6 | H33 | 0.0° | 179.9° |
N7 | C20 | N6 | H34 | 180.0° | 0.0° |
C20 | N7 | H35 | H36 | 180.0° | 179.9° |
C21 | O7 | C22 | C23 | 101.5° | 138.2° |
C21 | O7 | C22 | C30 | 30.4° | 101.7° |
O7 | C21 | H37 | H38 | 120.0° | 120.0° |
O7 | C21 | H37 | H39 | 120.0° | 120.0° |
O7 | C21 | H38 | H39 | 120.0° | 120.1° |
C21 | O7 | C22 | H40 | 144.1° | 18.3° |
O7 | C22 | C23 | C30 | 126.4° | 120.0° |
O7 | C22 | C23 | H40 | 115.2° | 120.0° |
O7 | C22 | C23 | C24 | 69.5° | 64.9° |
O7 | C22 | C30 | H40 | 114.5° | 120.0° |
O7 | C22 | C30 | C31 | 52.7° | 56.9° |
O7 | C22 | C30 | C32 | 179.0° | 63.1° |
C22 | O7 | C21 | H37 | 180.0° | 62.4° |
C22 | O7 | C21 | H38 | 60.0° | 177.6° |
C22 | O7 | C21 | H39 | 60.0° | 57.6° |
O7 | C22 | C23 | H41 | 51.8° | 55.1° |
O7 | C22 | C23 | H42 | 169.3° | 175.0° |
O7 | C22 | C30 | H48 | 63.7° | 176.9° |
C22 | C23 | C24 | H41 | 121.2° | 120.0° |
C22 | C23 | C24 | H42 | 121.2° | 120.1° |
C22 | C23 | C24 | C25 | 69.1° | 89.9° |
C22 | C23 | C24 | C29 | 110.9° | 90.3° |
C23 | C22 | C30 | H40 | 118.5° | 120.0° |
C23 | C22 | C30 | C31 | 179.6° | 63.1° |
C23 | C22 | C30 | C32 | 54.0° | 176.9° |
C22 | C23 | H41 | H42 | 116.0° | 120.0° |
C23 | C22 | C30 | H48 | 63.3° | 56.8° |
C23 | C24 | C25 | C29 | 180.0° | 179.8° |
C23 | C24 | C25 | C26 | 180.0° | 180.0° |
C23 | C24 | C29 | C28 | 180.0° | 179.8° |
C24 | C23 | C22 | C30 | 164.1° | 175.0° |
C24 | C23 | C22 | H40 | 45.7° | 55.0° |
C24 | C23 | H41 | H42 | 116.0° | 119.9° |
C23 | C24 | C25 | H43 | 0.0° | 0.0° |
C23 | C24 | C29 | H47 | 0.1° | 0.1° |
C24 | C25 | C26 | H43 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.0° | 0.0° |
C25 | C24 | C29 | C28 | 0.1° | 0.4° |
C25 | C24 | C23 | H41 | 169.6° | 30.1° |
C25 | C24 | C23 | H42 | 52.1° | 150.0° |
C24 | C25 | C26 | H44 | 180.0° | 180.0° |
C25 | C24 | C29 | H47 | 179.9° | 179.7° |
C25 | C26 | C27 | H44 | 180.0° | 179.9° |
C25 | C26 | C27 | C28 | 0.0° | 0.0° |
C26 | C25 | C24 | C29 | 0.0° | 0.2° |
C25 | C26 | C27 | H45 | 180.0° | 180.0° |
C26 | C27 | C28 | H45 | 180.0° | 180.0° |
C26 | C27 | C28 | C29 | 0.0° | 0.2° |
C27 | C26 | C25 | H43 | 180.0° | 180.0° |
C26 | C27 | C28 | H46 | 180.0° | 180.0° |
C27 | C28 | C29 | H46 | 180.0° | 179.9° |
C27 | C28 | C29 | C24 | 0.0° | 0.4° |
C28 | C27 | C26 | H44 | 180.0° | 180.0° |
C27 | C28 | C29 | H47 | 179.9° | 179.8° |
C28 | C29 | C24 | H47 | 180.0° | 179.8° |
C29 | C28 | C27 | H45 | 180.0° | 179.8° |
C29 | C24 | C23 | H41 | 10.4° | 149.7° |
C29 | C24 | C23 | H42 | 127.9° | 29.8° |
C29 | C24 | C25 | H43 | 180.0° | 179.8° |
C24 | C29 | C28 | H46 | 179.9° | 179.7° |
C22 | C30 | C31 | C32 | 128.7° | 120.0° |
C22 | C30 | C31 | H48 | 116.2° | 120.0° |
C22 | C30 | C32 | H48 | 117.2° | 120.0° |
C22 | C30 | C32 | C33 | 168.1° | 113.0° |
C30 | C22 | C23 | H41 | 74.6° | 65.0° |
C30 | C22 | C23 | H42 | 42.9° | 55.0° |
C22 | C30 | C31 | H49 | 180.0° | 60.0° |
C22 | C30 | C31 | H50 | 60.0° | 60.1° |
C22 | C30 | C31 | H51 | 60.0° | 180.0° |
C22 | C30 | C32 | H52 | 11.8° | 67.0° |
C31 | C30 | C32 | H48 | 115.1° | 120.0° |
C31 | C30 | C32 | C33 | 40.4° | 127.0° |
C31 | C30 | C22 | H40 | 61.9° | 176.9° |
C30 | C31 | H49 | H50 | 120.0° | 120.0° |
C30 | C31 | H49 | H51 | 120.0° | 120.0° |
C30 | C31 | H50 | H51 | 120.0° | 120.0° |
C31 | C30 | C32 | H52 | 139.6° | 53.0° |
C30 | C32 | C33 | H52 | 180.0° | 180.0° |
C30 | C32 | C33 | C34 | 0.7° | 6.0° |
C30 | C32 | C33 | C35 | 179.3° | 174.1° |
C32 | C30 | C22 | H40 | 64.4° | 56.9° |
C32 | C30 | C31 | H49 | 51.3° | 180.0° |
C32 | C30 | C31 | H50 | 171.3° | 60.0° |
C32 | C30 | C31 | H51 | 68.7° | 60.0° |
C32 | C33 | C34 | C35 | 179.9° | 180.0° |
C32 | C33 | C35 | C36 | 150.4° | 180.0° |
C33 | C32 | C30 | H48 | 74.7° | 7.0° |
C32 | C33 | C34 | H53 | 180.0° | 87.5° |
C32 | C33 | C34 | H54 | 60.0° | 152.5° |
C32 | C33 | C34 | H55 | 60.0° | 32.5° |
C32 | C33 | C35 | H56 | 29.6° | 0.1° |
C34 | C33 | C35 | C36 | 29.5° | 0.0° |
C34 | C33 | C32 | H52 | 179.3° | 174.0° |
C33 | C34 | H53 | H54 | 120.0° | 120.0° |
C33 | C34 | H53 | H55 | 120.0° | 120.0° |
C33 | C34 | H54 | H55 | 120.0° | 120.0° |
C34 | C33 | C35 | H56 | 150.4° | 180.0° |
C33 | C35 | C36 | H56 | 180.0° | 179.9° |
C33 | C35 | C36 | C37 | 179.9° | 180.0° |
C35 | C33 | C32 | H52 | 0.8° | 5.9° |
C35 | C33 | C34 | H53 | 0.1° | 92.5° |
C35 | C33 | C34 | H54 | 119.9° | 27.5° |
C35 | C33 | C34 | H55 | 120.1° | 147.4° |
C33 | C35 | C36 | H57 | 0.1° | 0.0° |
C35 | C36 | C37 | H57 | 180.0° | 180.0° |
C35 | C36 | C37 | N8 | 99.3° | 115.0° |
C35 | C36 | C37 | C38 | 129.8° | 125.7° |
C35 | C36 | C37 | H58 | 15.2° | 8.0° |
C36 | C37 | N8 | C38 | 131.9° | 117.9° |
C36 | C37 | N8 | H58 | 114.3° | 120.9° |
C36 | C37 | C38 | H58 | 114.8° | 117.5° |
C36 | C37 | C38 | C39 | 45.6° | 6.8° |
C36 | C37 | C38 | C40 | 175.1° | 110.6° |
C37 | C36 | C35 | H56 | 0.1° | 0.0° |
C36 | C37 | N8 | H59 | 83.1° | 64.8° |
C36 | C37 | C38 | H60 | 70.4° | 127.9° |
C36 | C37 | N8 | C16 | 96.9° | 112.1° |
N8 | C37 | C38 | H58 | 114.4° | 123.2° |
N8 | C37 | C38 | C39 | 176.5° | 112.5° |
N8 | C37 | C38 | C40 | 54.0° | 130.1° |
N8 | C37 | C36 | H57 | 80.6° | 65.0° |
C37 | N8 | H59 | C16 | 180.0° | 176.8° |
N8 | C37 | C38 | H60 | 60.5° | 8.6° |
C37 | C38 | C39 | C40 | 129.8° | 119.7° |
C37 | C38 | C39 | H60 | 115.9° | 120.5° |
C37 | C38 | C40 | H60 | 114.4° | 121.0° |
C37 | C38 | C40 | O8 | 103.5° | 9.5° |
C38 | C37 | C36 | H57 | 50.3° | 54.3° |
C38 | C37 | N8 | H59 | 48.8° | 53.1° |
C37 | C38 | C39 | H61 | 180.0° | 60.0° |
C37 | C38 | C39 | H62 | 60.0° | 180.0° |
C37 | C38 | C39 | H63 | 60.0° | 60.0° |
C38 | C37 | N8 | C16 | 131.2° | 130.0° |
C37 | C38 | C40 | N9 | 76.5° | 173.8° |
C39 | C38 | C40 | H60 | 114.4° | 120.0° |
C39 | C38 | C40 | O8 | 27.7° | 128.4° |
C39 | C38 | C37 | H58 | 69.2° | 124.3° |
C38 | C39 | H61 | H62 | 120.0° | 120.0° |
C38 | C39 | H61 | H63 | 120.0° | 120.0° |
C38 | C39 | H62 | H63 | 120.0° | 120.0° |
C39 | C38 | C40 | N9 | 152.3° | 54.9° |
C38 | C40 | O8 | N9 | 180.0° | 176.7° |
C40 | C38 | C37 | H58 | 60.3° | 6.9° |
C40 | C38 | C39 | H61 | 50.2° | 179.8° |
C40 | C38 | C39 | H62 | 69.9° | 60.3° |
C40 | C38 | C39 | H63 | 170.2° | 59.7° |
C38 | C40 | N9 | C41 | 178.6° | 176.1° |
C38 | C40 | N9 | H64 | 1.4° | 4.2° |
O8 | C40 | C38 | H60 | 142.1° | 111.6° |
O8 | C40 | N9 | C41 | 1.4° | 0.5° |
O8 | C40 | N9 | H64 | 178.6° | 179.2° |
H37 | C21 | H38 | H39 | 120.0° | 120.0° |
H40 | C22 | C23 | H41 | 167.0° | 175.0° |
H40 | C22 | C23 | H42 | 75.6° | 65.0° |
H40 | C22 | C30 | H48 | 178.2° | 63.2° |
H43 | C25 | C26 | H44 | 0.0° | 0.0° |
H44 | C26 | C27 | H45 | 0.0° | 0.0° |
H45 | C27 | C28 | H46 | 0.1° | 0.0° |
H46 | C28 | C29 | H47 | 0.1° | 0.1° |
H48 | C30 | C31 | H49 | 63.8° | 60.0° |
H48 | C30 | C31 | H50 | 56.2° | 180.0° |
H48 | C30 | C31 | H51 | 176.2° | 60.0° |
H48 | C30 | C32 | H52 | 105.3° | 173.0° |
H49 | C31 | H50 | H51 | 120.0° | 119.9° |
H53 | C34 | H54 | H55 | 120.0° | 120.0° |
H56 | C35 | C36 | H57 | 179.9° | 180.0° |
H57 | C36 | C37 | H58 | 164.8° | 172.0° |
H58 | C37 | N8 | H59 | 162.6° | 174.3° |
H58 | C37 | C38 | H60 | 174.8° | 114.6° |
H58 | C37 | N8 | C16 | 17.4° | 8.8° |
H60 | C38 | C39 | H61 | 64.1° | 60.5° |
H60 | C38 | C39 | H62 | 175.8° | 59.5° |
H60 | C38 | C39 | H63 | 55.9° | 179.5° |
H60 | C38 | C40 | N9 | 37.9° | 65.1° |
H61 | C39 | H62 | H63 | 120.0° | 120.1° |
C41 | N9 | H64 | C40 | 180.0° | 179.7° |
N9 | C41 | C42 | C43 | 129.0° | 116.7° |
N9 | C41 | C42 | H65 | 114.9° | 122.5° |
N9 | C41 | C43 | H65 | 119.2° | 114.7° |
N9 | C41 | C42 | O9 | 93.1° | 20.1° |
N9 | C41 | C42 | O11 | 20.8° | 160.0° |
N9 | C41 | C43 | C44 | 170.4° | 170.1° |
N9 | C41 | C43 | H66 | 68.5° | 45.9° |
N9 | C41 | C43 | H67 | 49.4° | 70.8° |
H64 | N9 | C41 | C42 | 101.0° | 14.1° |
H64 | N9 | C41 | C43 | 25.8° | 105.4° |
H64 | N9 | C41 | H65 | 144.6° | 140.1° |
C42 | C41 | C43 | H65 | 116.3° | 124.6° |
C41 | C42 | O9 | O11 | 45.3° | 179.9° |
C42 | C41 | C43 | C44 | 65.0° | 49.4° |
C42 | C41 | C43 | H66 | 56.0° | 74.9° |
C42 | C41 | C43 | H67 | 173.9° | 168.4° |
C41 | C42 | O11 | H70 | 90.0° | 180.0° |
C42 | C41 | N9 | C40 | 79.0° | 165.6° |
C43 | C41 | C42 | O9 | 35.8° | 96.6° |
C43 | C41 | C42 | O11 | 108.1° | 83.3° |
C41 | C43 | C44 | H66 | 121.0° | 124.8° |
C41 | C43 | C44 | H67 | 121.0° | 122.2° |
C41 | C43 | H66 | H67 | 116.7° | 120.5° |
C41 | C43 | C44 | C45 | 135.4° | 167.0° |
C41 | C43 | C44 | H68 | 103.4° | 38.4° |
C41 | C43 | C44 | H69 | 14.2° | 75.4° |
C43 | C41 | N9 | C40 | 154.2° | 74.9° |
H65 | C41 | C42 | O9 | 152.0° | 142.6° |
H65 | C41 | C42 | O11 | 135.7° | 37.5° |
H65 | C41 | C43 | C44 | 51.2° | 75.2° |
H65 | C41 | C43 | H66 | 172.3° | 160.5° |
H65 | C41 | C43 | H67 | 69.8° | 43.8° |
H65 | C41 | N9 | C40 | 35.4° | 39.6° |
O9 | C42 | O11 | H70 | 90.0° | 0.1° |
C44 | C43 | H66 | H67 | 116.7° | 113.3° |
C43 | C44 | C45 | H68 | 121.2° | 125.3° |
C43 | C44 | C45 | H69 | 121.2° | 116.3° |
C43 | C44 | H68 | H69 | 116.3° | 113.6° |
C43 | C44 | C45 | O10 | 57.8° | 78.6° |
C43 | C44 | C45 | N10 | 123.5° | 102.9° |
H66 | C43 | C44 | C45 | 14.3° | 68.1° |
H66 | C43 | C44 | H68 | 135.5° | 163.2° |
H66 | C43 | C44 | H69 | 106.8° | 49.4° |
H67 | C43 | C44 | C45 | 103.6° | 44.8° |
H67 | C43 | C44 | H68 | 17.6° | 83.8° |
H67 | C43 | C44 | H69 | 135.3° | 162.4° |
C45 | C44 | H68 | H69 | 116.3° | 119.3° |
C44 | C45 | O10 | N10 | 178.8° | 178.7° |
C44 | C45 | N10 | C46 | 1.6° | 26.1° |
C44 | C45 | N10 | C47 | 178.9° | 147.2° |
H68 | C44 | C45 | O10 | 179.0° | 156.1° |
H68 | C44 | C45 | N10 | 2.3° | 22.5° |
H69 | C44 | C45 | O10 | 63.4° | 37.7° |
H69 | C44 | C45 | N10 | 115.4° | 140.8° |
O10 | C45 | N10 | C46 | 177.2° | 152.5° |
O10 | C45 | N10 | C47 | 2.4° | 34.2° |
C46 | N10 | C47 | C45 | 179.6° | 173.5° |
N10 | C46 | H71 | H72 | 120.0° | 120.0° |
N10 | C46 | H71 | H73 | 120.0° | 120.0° |
N10 | C46 | H72 | H73 | 120.0° | 120.0° |
C46 | N10 | C47 | C48 | 86.1° | 130.1° |
C46 | N10 | C47 | C49 | 77.7° | 49.0° |
C47 | N10 | C46 | H71 | 180.0° | 96.7° |
C47 | N10 | C46 | H72 | 60.0° | 23.3° |
C47 | N10 | C46 | H73 | 60.0° | 143.3° |
N10 | C47 | C48 | C49 | 163.8° | 179.1° |
N10 | C47 | C48 | H74 | 163.8° | 0.0° |
N10 | C47 | C48 | H75 | 16.2° | 180.0° |
N10 | C47 | C49 | O12 | 118.0° | 0.2° |
N10 | C47 | C49 | N1 | 65.3° | 172.9° |
H71 | C46 | H72 | H73 | 120.0° | 120.0° |
H71 | C46 | N10 | C45 | 0.4° | 90.0° |
H72 | C46 | N10 | C45 | 119.6° | 150.0° |
H73 | C46 | N10 | C45 | 120.4° | 30.0° |
C47 | C48 | H74 | H75 | 180.0° | 179.9° |
C48 | C47 | C49 | O12 | 46.0° | 178.8° |
C48 | C47 | C49 | N1 | 130.8° | 8.0° |
C48 | C47 | N10 | C45 | 93.5° | 43.3° |
C49 | C47 | C48 | H74 | 0.0° | 179.1° |
C49 | C47 | C48 | H75 | 180.0° | 1.0° |
C47 | C49 | O12 | N1 | 176.6° | 174.2° |
C49 | C47 | N10 | C45 | 102.7° | 137.6° |