SFM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C54 | C53 | sing | 1.51Å | 1.53Å | |
C54 | H541 | sing | 1.09Å | 1.10Å | |
C54 | H542 | sing | 1.09Å | 1.10Å | |
C54 | H543 | sing | 1.09Å | 1.10Å | |
C53 | O71 | doub | 1.21Å | 1.23Å | |
C53 | C52 | sing | 1.51Å | 1.50Å | |
C52 | C51 | sing | 1.53Å | 1.52Å | |
C52 | H521 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
C51 | C14 | sing | 1.53Å | 1.54Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
C14 | C13 | sing | 1.52Å | 1.53Å | |
C14 | C15 | sing | 1.53Å | 1.59Å | |
C14 | H14 | sing | 1.08Å | 1.10Å | |
C13 | O70 | doub | 1.21Å | 1.21Å | |
C13 | N12 | sing | 1.36Å | 1.32Å | |
N12 | C11 | sing | 1.47Å | 1.45Å | |
N12 | H12 | sing | 0.98Å | 1.00Å | |
C11 | C55 | sing | 1.53Å | 1.56Å | |
C11 | C10 | sing | 1.51Å | 1.52Å | |
C11 | H11 | sing | 1.10Å | 1.10Å | |
C55 | C56 | sing | 1.53Å | 1.55Å | |
C55 | C57 | sing | 1.53Å | 1.53Å | |
C55 | H55 | sing | 1.09Å | 1.10Å | |
C56 | H561 | sing | 1.09Å | 1.10Å | |
C56 | H562 | sing | 1.09Å | 1.10Å | |
C56 | H563 | sing | 1.09Å | 1.10Å | |
C57 | H571 | sing | 1.09Å | 1.10Å | |
C57 | H572 | sing | 1.09Å | 1.10Å | |
C57 | H573 | sing | 1.09Å | 1.10Å | |
C10 | N9 | sing | 1.35Å | 1.32Å | |
C10 | O69 | doub | 1.22Å | 1.23Å | |
N9 | C8 | sing | 1.48Å | 1.47Å | |
N9 | HN9 | sing | 0.98Å | 1.00Å | |
C8 | C58 | sing | 1.53Å | 1.54Å | |
C8 | C7 | sing | 1.50Å | 1.54Å | |
C8 | H8 | sing | 1.09Å | 1.10Å | |
C58 | C59 | sing | 1.51Å | 1.49Å | |
C58 | H581 | sing | 1.09Å | 1.10Å | |
C58 | H582 | sing | 1.09Å | 1.10Å | |
C59 | C64 | doub | 1.38Å | 1.39Å | Aromatic |
C59 | C60 | sing | 1.38Å | 1.39Å | Aromatic |
C64 | C63 | sing | 1.38Å | 1.38Å | Aromatic |
C64 | H64 | sing | 1.08Å | 1.08Å | |
C63 | C62 | doub | 1.38Å | 1.39Å | Aromatic |
C63 | H63 | sing | 1.08Å | 1.08Å | |
C62 | C61 | sing | 1.39Å | 1.39Å | Aromatic |
C62 | H62 | sing | 1.08Å | 1.08Å | |
C61 | O68 | sing | 1.36Å | 1.36Å | |
C61 | C60 | doub | 1.39Å | 1.37Å | Aromatic |
O68 | H68 | sing | 0.97Å | 0.95Å | |
C60 | H60 | sing | 1.08Å | 1.08Å | |
C7 | O67 | doub | 1.23Å | 1.22Å | |
C7 | N6 | sing | 1.34Å | 1.37Å | |
N6 | C5 | sing | 1.47Å | 1.47Å | |
N6 | N65 | sing | 1.38Å | 1.41Å | |
C5 | C4 | sing | 1.54Å | 1.54Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C3 | C2 | sing | 1.52Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C2 | N65 | sing | 1.48Å | 1.49Å | |
C2 | C1 | sing | 1.50Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
N65 | H65 | sing | 1.06Å | 1.00Å | |
C1 | O66 | doub | 1.21Å | 1.22Å | |
C1 | O65 | sing | 1.34Å | 1.32Å | |
O65 | C23 | sing | 1.45Å | 1.44Å | |
C23 | C22 | sing | 1.53Å | 1.55Å | |
C23 | C24 | sing | 1.51Å | 1.50Å | |
C23 | H23 | sing | 1.09Å | 1.10Å | |
C22 | C21 | sing | 1.51Å | 1.52Å | |
C22 | H221 | sing | 1.09Å | 1.10Å | |
C22 | H222 | sing | 1.09Å | 1.10Å | |
C21 | C20 | doub | 1.33Å | 1.31Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C20 | C19 | sing | 1.47Å | 1.32Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C19 | C18 | doub | 1.33Å | 1.31Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C18 | C17 | sing | 1.50Å | 1.55Å | |
C18 | H18 | sing | 1.09Å | 1.08Å | |
C17 | O73 | sing | 1.43Å | 1.43Å | |
C17 | C16 | sing | 1.53Å | 1.54Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
O73 | H73 | sing | 0.97Å | 0.95Å | |
C16 | C50 | sing | 1.53Å | 1.53Å | |
C16 | C15 | sing | 1.53Å | 1.58Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C50 | H501 | sing | 1.09Å | 1.10Å | |
C50 | H502 | sing | 1.09Å | 1.10Å | |
C50 | H503 | sing | 1.09Å | 1.10Å | |
C15 | O72 | sing | 1.43Å | 1.44Å | |
C15 | H15 | sing | 1.09Å | 1.10Å | |
O72 | H72 | sing | 0.97Å | 0.95Å | |
C24 | C49 | sing | 1.51Å | 1.51Å | |
C24 | C25 | doub | 1.31Å | 1.28Å | |
C49 | H491 | sing | 1.09Å | 1.10Å | |
C49 | H492 | sing | 1.09Å | 1.10Å | |
C49 | H493 | sing | 1.09Å | 1.10Å | |
C25 | C26 | sing | 1.51Å | 1.50Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | O78 | sing | 1.43Å | 1.38Å | |
C26 | H261 | sing | 1.09Å | 1.10Å | |
C26 | H262 | sing | 1.09Å | 1.10Å | |
O78 | H78 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C53 | C54 | H541 | 109.5° | 109.5° |
C53 | C54 | H542 | 109.5° | 109.5° |
C53 | C54 | H543 | 109.5° | 109.5° |
C54 | C53 | O71 | 114.2° | 120.0° |
C54 | C53 | C52 | 122.5° | 120.0° |
H541 | C54 | H542 | 109.4° | 109.5° |
H541 | C54 | H543 | 109.4° | 109.5° |
H542 | C54 | H543 | 109.5° | 109.4° |
O71 | C53 | C52 | 123.3° | 120.0° |
C53 | C52 | C51 | 112.6° | 109.5° |
C53 | C52 | H521 | 108.4° | 109.5° |
C53 | C52 | H522 | 108.4° | 109.5° |
C51 | C52 | H521 | 108.4° | 109.5° |
C51 | C52 | H522 | 108.4° | 109.5° |
C52 | C51 | C14 | 111.1° | 109.4° |
C52 | C51 | H511 | 108.9° | 109.5° |
C52 | C51 | H512 | 108.9° | 109.5° |
H521 | C52 | H522 | 110.5° | 109.5° |
C14 | C51 | H511 | 108.9° | 109.5° |
C14 | C51 | H512 | 108.9° | 109.5° |
C51 | C14 | C13 | 103.9° | 107.9° |
C51 | C14 | C15 | 112.0° | 110.2° |
C51 | C14 | H14 | 112.6° | 110.2° |
H511 | C51 | H512 | 110.0° | 109.5° |
C13 | C14 | C15 | 112.4° | 108.8° |
C13 | C14 | H14 | 112.2° | 109.1° |
C14 | C13 | O70 | 118.3° | 117.6° |
C14 | C13 | N12 | 121.1° | 118.7° |
C15 | C14 | H14 | 104.1° | 110.6° |
C14 | C15 | C16 | 115.1° | 111.3° |
C14 | C15 | O72 | 108.8° | 109.0° |
C14 | C15 | H15 | 106.2° | 109.3° |
O70 | C13 | N12 | 120.6° | 123.7° |
C13 | N12 | C11 | 118.3° | 119.2° |
C13 | N12 | H12 | 120.8° | 120.2° |
C11 | N12 | H12 | 120.9° | 120.6° |
N12 | C11 | C55 | 112.4° | 112.1° |
N12 | C11 | C10 | 101.7° | 109.9° |
N12 | C11 | H11 | 112.8° | 108.2° |
C55 | C11 | C10 | 109.8° | 111.1° |
C55 | C11 | H11 | 105.1° | 108.0° |
C11 | C55 | C56 | 110.3° | 109.5° |
C11 | C55 | C57 | 109.5° | 109.5° |
C11 | C55 | H55 | 107.6° | 109.4° |
C10 | C11 | H11 | 115.3° | 107.3° |
C11 | C10 | N9 | 119.1° | 122.1° |
C11 | C10 | O69 | 120.7° | 117.3° |
C56 | C55 | C57 | 105.4° | 109.5° |
C56 | C55 | H55 | 111.6° | 109.5° |
C55 | C56 | H561 | 109.5° | 109.5° |
C55 | C56 | H562 | 109.5° | 109.5° |
C55 | C56 | H563 | 109.5° | 109.5° |
C57 | C55 | H55 | 112.4° | 109.5° |
C55 | C57 | H571 | 109.5° | 109.4° |
C55 | C57 | H572 | 109.5° | 109.5° |
C55 | C57 | H573 | 109.5° | 109.5° |
H561 | C56 | H562 | 109.5° | 109.5° |
H561 | C56 | H563 | 109.5° | 109.5° |
H562 | C56 | H563 | 109.5° | 109.4° |
H571 | C57 | H572 | 109.4° | 109.5° |
H571 | C57 | H573 | 109.4° | 109.5° |
H572 | C57 | H573 | 109.5° | 109.4° |
N9 | C10 | O69 | 120.2° | 120.6° |
C10 | N9 | C8 | 122.1° | 119.1° |
C10 | N9 | HN9 | 118.9° | 121.5° |
C8 | N9 | HN9 | 119.0° | 119.3° |
N9 | C8 | C58 | 103.3° | 110.1° |
N9 | C8 | C7 | 113.6° | 110.1° |
N9 | C8 | H8 | 112.0° | 107.5° |
C58 | C8 | C7 | 112.6° | 110.9° |
C58 | C8 | H8 | 113.1° | 108.6° |
C8 | C58 | C59 | 117.0° | 109.5° |
C8 | C58 | H581 | 107.1° | 109.5° |
C8 | C58 | H582 | 107.0° | 109.5° |
C7 | C8 | H8 | 102.6° | 109.6° |
C8 | C7 | O67 | 119.6° | 119.2° |
C8 | C7 | N6 | 118.0° | 122.1° |
C59 | C58 | H581 | 107.0° | 109.5° |
C59 | C58 | H582 | 107.0° | 109.5° |
C58 | C59 | C64 | 120.2° | 119.9° |
C58 | C59 | C60 | 121.4° | 120.0° |
H581 | C58 | H582 | 111.8° | 109.4° |
C64 | C59 | C60 | 118.4° | 120.1° |
C59 | C64 | C63 | 121.7° | 120.1° |
C59 | C64 | H64 | 119.1° | 120.0° |
C59 | C60 | C61 | 120.0° | 120.0° |
C59 | C60 | H60 | 120.0° | 120.0° |
C63 | C64 | H64 | 119.2° | 120.0° |
C64 | C63 | C62 | 119.8° | 120.1° |
C64 | C63 | H63 | 120.1° | 120.0° |
C62 | C63 | H63 | 120.1° | 119.9° |
C63 | C62 | C61 | 118.3° | 119.9° |
C63 | C62 | H62 | 120.8° | 120.1° |
C61 | C62 | H62 | 120.9° | 120.0° |
C62 | C61 | O68 | 120.0° | 120.0° |
C62 | C61 | C60 | 121.7° | 119.9° |
O68 | C61 | C60 | 118.3° | 120.1° |
C61 | O68 | H68 | 109.5° | 114.0° |
C61 | C60 | H60 | 120.0° | 120.1° |
O67 | C7 | N6 | 122.4° | 118.7° |
C7 | N6 | C5 | 121.9° | 119.6° |
C7 | N6 | N65 | 119.5° | 121.4° |
C5 | N6 | N65 | 115.6° | 119.0° |
N6 | C5 | C4 | 115.2° | 108.0° |
N6 | C5 | H51 | 107.6° | 109.3° |
N6 | C5 | H52 | 107.6° | 110.3° |
N6 | N65 | C2 | 115.3° | 109.3° |
N6 | N65 | H65 | 107.6° | 102.0° |
C4 | C5 | H51 | 107.6° | 109.8° |
C4 | C5 | H52 | 107.6° | 109.8° |
C5 | C4 | C3 | 110.6° | 107.1° |
C5 | C4 | H41 | 109.1° | 109.9° |
C5 | C4 | H42 | 109.1° | 110.3° |
H51 | C5 | H52 | 111.3° | 109.6° |
C3 | C4 | H41 | 109.1° | 109.7° |
C3 | C4 | H42 | 109.1° | 109.8° |
C4 | C3 | C2 | 112.5° | 109.2° |
C4 | C3 | H31 | 108.5° | 109.1° |
C4 | C3 | H32 | 108.5° | 109.7° |
H41 | C4 | H42 | 109.9° | 110.0° |
C2 | C3 | H31 | 108.5° | 109.4° |
C2 | C3 | H32 | 108.5° | 110.3° |
C3 | C2 | N65 | 111.1° | 110.6° |
C3 | C2 | C1 | 107.9° | 109.8° |
C3 | C2 | H2 | 109.7° | 109.3° |
H31 | C3 | H32 | 110.5° | 109.1° |
N65 | C2 | C1 | 110.2° | 109.2° |
N65 | C2 | H2 | 107.3° | 108.0° |
C2 | N65 | H65 | 107.6° | 100.5° |
C1 | C2 | H2 | 110.6° | 109.9° |
C2 | C1 | O66 | 121.6° | 119.4° |
C2 | C1 | O65 | 111.7° | 120.8° |
O66 | C1 | O65 | 126.8° | 119.8° |
C1 | O65 | C23 | 117.8° | 117.9° |
O65 | C23 | C22 | 112.2° | 110.2° |
O65 | C23 | C24 | 105.2° | 109.3° |
O65 | C23 | H23 | 110.7° | 109.8° |
C22 | C23 | C24 | 110.0° | 109.2° |
C22 | C23 | H23 | 106.0° | 109.2° |
C23 | C22 | C21 | 113.7° | 108.7° |
C23 | C22 | H221 | 108.1° | 109.5° |
C23 | C22 | H222 | 108.1° | 109.6° |
C24 | C23 | H23 | 112.9° | 109.1° |
C23 | C24 | C49 | 116.1° | 120.0° |
C23 | C24 | C25 | 122.8° | 120.0° |
C21 | C22 | H221 | 108.1° | 109.6° |
C21 | C22 | H222 | 108.1° | 109.8° |
C22 | C21 | C20 | 121.3° | 120.3° |
C22 | C21 | H21 | 119.4° | 120.1° |
H221 | C22 | H222 | 110.8° | 109.6° |
C20 | C21 | H21 | 119.3° | 119.6° |
C21 | C20 | C19 | 120.8° | 120.7° |
C21 | C20 | H20 | 119.6° | 120.4° |
C19 | C20 | H20 | 119.6° | 118.9° |
C20 | C19 | C18 | 119.5° | 119.8° |
C20 | C19 | H19 | 120.3° | 119.1° |
C18 | C19 | H19 | 120.2° | 121.0° |
C19 | C18 | C17 | 118.0° | 120.7° |
C19 | C18 | H18 | 121.0° | 119.8° |
C17 | C18 | H18 | 121.0° | 119.6° |
C18 | C17 | O73 | 112.9° | 109.6° |
C18 | C17 | C16 | 110.7° | 110.0° |
C18 | C17 | H17 | 107.0° | 109.5° |
O73 | C17 | C16 | 111.8° | 109.3° |
O73 | C17 | H17 | 105.8° | 109.3° |
C17 | O73 | H73 | 109.5° | 114.0° |
C16 | C17 | H17 | 108.2° | 109.1° |
C17 | C16 | C50 | 105.6° | 109.2° |
C17 | C16 | C15 | 108.7° | 108.7° |
C17 | C16 | H16 | 112.3° | 109.0° |
C50 | C16 | C15 | 109.1° | 109.5° |
C50 | C16 | H16 | 111.9° | 109.1° |
C16 | C50 | H501 | 109.5° | 109.5° |
C16 | C50 | H502 | 109.4° | 109.5° |
C16 | C50 | H503 | 109.5° | 109.5° |
C15 | C16 | H16 | 109.0° | 111.3° |
C16 | C15 | O72 | 110.2° | 109.2° |
C16 | C15 | H15 | 104.8° | 109.2° |
H501 | C50 | H502 | 109.5° | 109.4° |
H501 | C50 | H503 | 109.5° | 109.5° |
H502 | C50 | H503 | 109.5° | 109.5° |
O72 | C15 | H15 | 111.6° | 108.8° |
C15 | O72 | H72 | 109.5° | 114.1° |
C49 | C24 | C25 | 121.0° | 120.0° |
C24 | C49 | H491 | 109.5° | 109.5° |
C24 | C49 | H492 | 109.5° | 109.5° |
C24 | C49 | H493 | 109.5° | 109.5° |
C24 | C25 | C26 | 117.5° | 120.0° |
C24 | C25 | H25 | 121.2° | 120.0° |
H491 | C49 | H492 | 109.5° | 109.4° |
H491 | C49 | H493 | 109.4° | 109.5° |
H492 | C49 | H493 | 109.5° | 109.5° |
C26 | C25 | H25 | 121.2° | 120.0° |
C25 | C26 | O78 | 107.2° | 109.5° |
C25 | C26 | H261 | 110.2° | 109.5° |
C25 | C26 | H262 | 110.2° | 109.5° |
O78 | C26 | H261 | 110.3° | 109.5° |
O78 | C26 | H262 | 110.2° | 109.5° |
C26 | O78 | H78 | 109.5° | 114.0° |
H261 | C26 | H262 | 108.7° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C53 | C54 | H541 | H542 | 120.0° | 120.0° |
C53 | C54 | H541 | H543 | 120.0° | 120.1° |
C53 | C54 | H542 | H543 | 120.0° | 120.1° |
C54 | C53 | O71 | C52 | 179.0° | 179.9° |
C54 | C53 | C52 | C51 | 141.1° | 180.0° |
C54 | C53 | C52 | H521 | 98.9° | 60.0° |
C54 | C53 | C52 | H522 | 21.1° | 60.0° |
H541 | C54 | H542 | H543 | 119.9° | 120.0° |
H541 | C54 | C53 | O71 | 0.0° | 90.1° |
H541 | C54 | C53 | C52 | 179.0° | 90.0° |
H542 | C54 | C53 | O71 | 120.0° | 149.9° |
H542 | C54 | C53 | C52 | 59.0° | 30.0° |
H543 | C54 | C53 | O71 | 120.0° | 30.0° |
H543 | C54 | C53 | C52 | 61.0° | 150.0° |
O71 | C53 | C52 | C51 | 37.8° | 0.1° |
O71 | C53 | C52 | H521 | 82.2° | 119.9° |
O71 | C53 | C52 | H522 | 157.8° | 120.1° |
C53 | C52 | C51 | H521 | 120.0° | 120.0° |
C53 | C52 | C51 | H522 | 120.0° | 120.0° |
C53 | C52 | H521 | H522 | 118.7° | 120.0° |
C53 | C52 | C51 | C14 | 174.1° | 174.8° |
C53 | C52 | C51 | H511 | 65.9° | 65.2° |
C53 | C52 | C51 | H512 | 54.1° | 54.8° |
C51 | C52 | H521 | H522 | 118.7° | 120.0° |
C52 | C51 | C14 | H511 | 120.0° | 120.0° |
C52 | C51 | C14 | H512 | 120.0° | 120.0° |
C52 | C51 | H511 | H512 | 119.3° | 120.0° |
C52 | C51 | C14 | C13 | 63.2° | 65.6° |
C52 | C51 | C14 | C15 | 175.3° | 175.7° |
C52 | C51 | C14 | H14 | 58.4° | 53.5° |
H521 | C52 | C51 | C14 | 54.2° | 54.8° |
H521 | C52 | C51 | H511 | 174.1° | 174.8° |
H521 | C52 | C51 | H512 | 65.8° | 65.1° |
H522 | C52 | C51 | C14 | 65.9° | 65.2° |
H522 | C52 | C51 | H511 | 54.1° | 54.8° |
H522 | C52 | C51 | H512 | 174.1° | 174.9° |
C14 | C51 | H511 | H512 | 119.3° | 120.0° |
C51 | C14 | C13 | C15 | 121.3° | 119.5° |
C51 | C14 | C13 | H14 | 121.9° | 119.7° |
C51 | C14 | C15 | H14 | 121.9° | 122.0° |
C51 | C14 | C13 | O70 | 101.9° | 69.6° |
C51 | C14 | C13 | N12 | 77.9° | 110.6° |
C51 | C14 | C15 | C16 | 171.6° | 65.9° |
C51 | C14 | C15 | O72 | 64.2° | 173.5° |
C51 | C14 | C15 | H15 | 56.1° | 54.7° |
H511 | C51 | C14 | C13 | 56.8° | 54.4° |
H511 | C51 | C14 | C15 | 64.7° | 64.3° |
H511 | C51 | C14 | H14 | 178.4° | 173.5° |
H512 | C51 | C14 | C13 | 176.8° | 174.5° |
H512 | C51 | C14 | C15 | 55.3° | 55.8° |
H512 | C51 | C14 | H14 | 61.6° | 66.5° |
C13 | C14 | C15 | H14 | 121.6° | 119.9° |
C14 | C13 | O70 | N12 | 179.8° | 179.7° |
C14 | C13 | N12 | C11 | 177.7° | 174.5° |
C14 | C13 | N12 | H12 | 2.3° | 5.6° |
C13 | C14 | C15 | C16 | 71.9° | 176.0° |
C13 | C14 | C15 | O72 | 52.3° | 55.4° |
C13 | C14 | C15 | H15 | 172.6° | 63.4° |
C15 | C14 | C13 | O70 | 136.9° | 49.9° |
C15 | C14 | C13 | N12 | 43.4° | 129.8° |
C14 | C15 | C16 | C17 | 166.1° | 151.3° |
C14 | C15 | C16 | C50 | 79.1° | 89.4° |
C14 | C15 | C16 | O72 | 123.5° | 120.3° |
C14 | C15 | C16 | H15 | 116.3° | 120.7° |
C14 | C15 | C16 | H16 | 43.4° | 31.3° |
C14 | C15 | O72 | H15 | 116.9° | 119.1° |
C14 | C15 | O72 | H72 | 180.0° | 175.6° |
H14 | C14 | C13 | O70 | 20.0° | 170.7° |
H14 | C14 | C13 | N12 | 160.2° | 9.1° |
H14 | C14 | C15 | C16 | 49.8° | 56.1° |
H14 | C14 | C15 | O72 | 174.0° | 64.4° |
H14 | C14 | C15 | H15 | 65.7° | 176.8° |
O70 | C13 | N12 | C11 | 2.6° | 5.7° |
O70 | C13 | N12 | H12 | 177.4° | 174.2° |
C13 | N12 | C11 | H12 | 180.0° | 179.9° |
C13 | N12 | C11 | C55 | 129.6° | 52.0° |
C13 | N12 | C11 | C10 | 113.1° | 72.2° |
C13 | N12 | C11 | H11 | 11.0° | 171.0° |
N12 | C11 | C55 | C10 | 112.5° | 123.4° |
N12 | C11 | C55 | H11 | 123.0° | 119.2° |
N12 | C11 | C10 | H11 | 122.3° | 117.4° |
N12 | C11 | C55 | C56 | 73.8° | 173.8° |
N12 | C11 | C55 | C57 | 170.7° | 66.2° |
N12 | C11 | C55 | H55 | 48.2° | 53.8° |
N12 | C11 | C10 | N9 | 114.7° | 63.8° |
N12 | C11 | C10 | O69 | 66.4° | 118.2° |
H12 | N12 | C11 | C55 | 50.5° | 128.1° |
H12 | N12 | C11 | C10 | 66.9° | 107.8° |
H12 | N12 | C11 | H11 | 169.0° | 9.1° |
C55 | C11 | C10 | H11 | 118.4° | 117.9° |
C11 | C55 | C56 | C57 | 118.1° | 120.0° |
C11 | C55 | C56 | H55 | 119.6° | 120.0° |
C11 | C55 | C57 | H55 | 119.6° | 120.0° |
C11 | C55 | C56 | H561 | 180.0° | 60.0° |
C11 | C55 | C56 | H562 | 60.0° | 180.0° |
C11 | C55 | C56 | H563 | 60.0° | 60.0° |
C11 | C55 | C57 | H571 | 180.0° | 67.0° |
C11 | C55 | C57 | H572 | 60.0° | 53.0° |
C11 | C55 | C57 | H573 | 60.0° | 172.9° |
C55 | C11 | C10 | N9 | 126.0° | 60.9° |
C55 | C11 | C10 | O69 | 52.8° | 117.1° |
C10 | C11 | C55 | C56 | 173.8° | 50.4° |
C10 | C11 | C55 | C57 | 58.2° | 170.4° |
C10 | C11 | C55 | H55 | 64.2° | 69.6° |
C11 | C10 | N9 | O69 | 178.9° | 178.0° |
C11 | C10 | N9 | C8 | 170.6° | 164.8° |
C11 | C10 | N9 | HN9 | 9.4° | 17.2° |
H11 | C11 | C55 | C56 | 49.3° | 67.0° |
H11 | C11 | C55 | C57 | 66.3° | 53.0° |
H11 | C11 | C55 | H55 | 171.2° | 173.0° |
H11 | C11 | C10 | N9 | 7.6° | 178.8° |
H11 | C11 | C10 | O69 | 171.2° | 0.8° |
C56 | C55 | C57 | H55 | 121.8° | 120.0° |
C55 | C56 | H561 | H562 | 120.0° | 120.0° |
C55 | C56 | H561 | H563 | 120.0° | 120.0° |
C55 | C56 | H562 | H563 | 120.0° | 120.0° |
C56 | C55 | C57 | H571 | 61.3° | 53.0° |
C56 | C55 | C57 | H572 | 178.7° | 173.0° |
C56 | C55 | C57 | H573 | 58.7° | 67.0° |
C57 | C55 | C56 | H561 | 61.9° | 60.0° |
C57 | C55 | C56 | H562 | 58.1° | 60.0° |
C57 | C55 | C56 | H563 | 178.1° | 180.0° |
C55 | C57 | H571 | H572 | 120.0° | 120.0° |
C55 | C57 | H571 | H573 | 120.0° | 120.0° |
C55 | C57 | H572 | H573 | 120.0° | 120.0° |
H55 | C55 | C56 | H561 | 60.4° | 180.0° |
H55 | C55 | C56 | H562 | 179.6° | 60.0° |
H55 | C55 | C56 | H563 | 59.6° | 59.9° |
H55 | C55 | C57 | H571 | 60.4° | 173.0° |
H55 | C55 | C57 | H572 | 59.6° | 67.0° |
H55 | C55 | C57 | H573 | 179.6° | 53.0° |
H561 | C56 | H562 | H563 | 120.0° | 120.0° |
H571 | C57 | H572 | H573 | 119.9° | 120.1° |
C10 | N9 | C8 | HN9 | 180.0° | 178.1° |
C10 | N9 | C8 | C58 | 140.4° | 49.7° |
C10 | N9 | C8 | C7 | 97.3° | 72.9° |
C10 | N9 | C8 | H8 | 18.4° | 167.8° |
O69 | C10 | N9 | C8 | 10.5° | 17.2° |
O69 | C10 | N9 | HN9 | 169.5° | 160.8° |
N9 | C8 | C58 | C7 | 123.0° | 122.1° |
N9 | C8 | C58 | H8 | 121.3° | 117.4° |
N9 | C8 | C7 | H8 | 121.1° | 117.9° |
N9 | C8 | C58 | C59 | 176.4° | 176.7° |
N9 | C8 | C58 | H581 | 63.6° | 56.6° |
N9 | C8 | C58 | H582 | 56.4° | 63.3° |
N9 | C8 | C7 | O67 | 42.2° | 16.1° |
N9 | C8 | C7 | N6 | 136.8° | 163.8° |
HN9 | N9 | C8 | C58 | 39.6° | 132.3° |
HN9 | N9 | C8 | C7 | 82.7° | 105.1° |
HN9 | N9 | C8 | H8 | 161.6° | 14.1° |
C58 | C8 | C7 | H8 | 121.9° | 119.9° |
C8 | C58 | C59 | H581 | 120.0° | 120.1° |
C8 | C58 | C59 | H582 | 120.0° | 120.0° |
C8 | C58 | H581 | H582 | 116.9° | 119.9° |
C8 | C58 | C59 | C64 | 93.4° | 83.3° |
C8 | C58 | C59 | C60 | 88.1° | 97.0° |
C58 | C8 | C7 | O67 | 74.7° | 106.1° |
C58 | C8 | C7 | N6 | 106.2° | 74.0° |
C7 | C8 | C58 | C59 | 53.4° | 61.2° |
C7 | C8 | C58 | H581 | 173.4° | 178.7° |
C7 | C8 | C58 | H582 | 66.6° | 58.8° |
C8 | C7 | O67 | N6 | 179.0° | 179.9° |
C8 | C7 | N6 | C5 | 166.4° | 177.5° |
C8 | C7 | N6 | N65 | 6.8° | 0.8° |
H8 | C8 | C58 | C59 | 62.3° | 59.2° |
H8 | C8 | C58 | H581 | 57.7° | 60.8° |
H8 | C8 | C58 | H582 | 177.7° | 179.2° |
H8 | C8 | C7 | O67 | 163.4° | 134.0° |
H8 | C8 | C7 | N6 | 15.7° | 45.9° |
C59 | C58 | H581 | H582 | 116.9° | 120.0° |
C58 | C59 | C64 | C60 | 178.6° | 179.7° |
C58 | C59 | C64 | C63 | 178.8° | 180.0° |
C58 | C59 | C64 | H64 | 1.2° | 0.0° |
C58 | C59 | C60 | C61 | 179.3° | 179.7° |
C58 | C59 | C60 | H60 | 0.7° | 0.1° |
H581 | C58 | C59 | C64 | 26.6° | 36.8° |
H581 | C58 | C59 | C60 | 151.9° | 142.9° |
H582 | C58 | C59 | C64 | 146.6° | 156.7° |
H582 | C58 | C59 | C60 | 31.9° | 23.0° |
C59 | C64 | C63 | H64 | 180.0° | 180.0° |
C59 | C64 | C63 | C62 | 2.7° | 0.0° |
C59 | C64 | C63 | H63 | 177.3° | 180.0° |
C64 | C59 | C60 | C61 | 0.8° | 0.6° |
C64 | C59 | C60 | H60 | 179.2° | 179.8° |
C60 | C59 | C64 | C63 | 2.7° | 0.3° |
C60 | C59 | C64 | H64 | 177.4° | 179.7° |
C59 | C60 | C61 | C62 | 1.1° | 0.6° |
C59 | C60 | C61 | O68 | 179.3° | 179.7° |
C59 | C60 | C61 | H60 | 180.0° | 179.7° |
C64 | C63 | C62 | H63 | 180.0° | 180.0° |
C64 | C63 | C62 | C61 | 0.7° | 0.0° |
C64 | C63 | C62 | H62 | 179.2° | 179.9° |
H64 | C64 | C63 | C62 | 177.4° | 180.0° |
H64 | C64 | C63 | H63 | 2.7° | 0.0° |
C63 | C62 | C61 | H62 | 180.0° | 179.9° |
C63 | C62 | C61 | O68 | 179.3° | 180.0° |
C63 | C62 | C61 | C60 | 1.1° | 0.3° |
H63 | C63 | C62 | C61 | 179.2° | 180.0° |
H63 | C63 | C62 | H62 | 0.8° | 0.1° |
C62 | C61 | O68 | C60 | 179.6° | 179.7° |
C62 | C61 | O68 | H68 | 180.0° | 90.0° |
C62 | C61 | C60 | H60 | 178.9° | 179.8° |
H62 | C62 | C61 | O68 | 0.7° | 0.1° |
H62 | C62 | C61 | C60 | 178.9° | 179.8° |
O68 | C61 | C60 | H60 | 0.7° | 0.1° |
C60 | C61 | O68 | H68 | 0.4° | 89.7° |
O67 | C7 | N6 | C5 | 14.6° | 2.6° |
O67 | C7 | N6 | N65 | 174.1° | 179.0° |
C7 | N6 | C5 | N65 | 160.3° | 178.4° |
C7 | N6 | C5 | C4 | 114.9° | 135.9° |
C7 | N6 | C5 | H51 | 5.0° | 104.6° |
C7 | N6 | C5 | H52 | 125.1° | 15.9° |
C7 | N6 | N65 | C2 | 111.5° | 117.9° |
C7 | N6 | N65 | H65 | 128.5° | 12.1° |
N6 | C5 | C4 | H51 | 120.0° | 119.1° |
N6 | C5 | C4 | H52 | 120.0° | 120.3° |
N6 | C5 | H51 | H52 | 117.7° | 121.0° |
N6 | C5 | C4 | C3 | 44.5° | 20.0° |
N6 | C5 | C4 | H41 | 75.4° | 99.1° |
N6 | C5 | C4 | H42 | 164.5° | 139.5° |
C5 | N6 | N65 | C2 | 49.4° | 63.7° |
C5 | N6 | N65 | H65 | 70.6° | 169.5° |
N65 | N6 | C5 | C4 | 45.4° | 45.7° |
N65 | N6 | C5 | H51 | 165.4° | 73.8° |
N65 | N6 | C5 | H52 | 74.6° | 165.7° |
N6 | N65 | C2 | C3 | 52.3° | 10.7° |
N6 | N65 | C2 | H65 | 120.0° | 106.8° |
N6 | N65 | C2 | C1 | 172.0° | 110.3° |
N6 | N65 | C2 | H2 | 67.6° | 130.2° |
C4 | C5 | H51 | H52 | 117.6° | 120.7° |
C5 | C4 | C3 | H41 | 120.0° | 119.2° |
C5 | C4 | C3 | H42 | 120.0° | 119.8° |
C5 | C4 | H41 | H42 | 119.5° | 121.7° |
C5 | C4 | C3 | C2 | 48.2° | 65.8° |
C5 | C4 | C3 | H31 | 168.2° | 174.6° |
C5 | C4 | C3 | H32 | 71.8° | 55.1° |
H51 | C5 | C4 | C3 | 164.5° | 139.1° |
H51 | C5 | C4 | H41 | 44.6° | 20.1° |
H51 | C5 | C4 | H42 | 75.5° | 101.4° |
H52 | C5 | C4 | C3 | 75.4° | 100.3° |
H52 | C5 | C4 | H41 | 164.6° | 140.6° |
H52 | C5 | C4 | H42 | 44.6° | 19.1° |
C3 | C4 | H41 | H42 | 119.5° | 120.8° |
C4 | C3 | C2 | H31 | 120.0° | 119.3° |
C4 | C3 | C2 | H32 | 120.0° | 120.6° |
C4 | C3 | H31 | H32 | 118.8° | 119.8° |
C4 | C3 | C2 | N65 | 52.2° | 50.1° |
C4 | C3 | C2 | C1 | 173.2° | 170.7° |
C4 | C3 | C2 | H2 | 66.3° | 68.7° |
H41 | C4 | C3 | C2 | 71.8° | 53.4° |
H41 | C4 | C3 | H31 | 48.2° | 66.2° |
H41 | C4 | C3 | H32 | 168.2° | 174.4° |
H42 | C4 | C3 | C2 | 168.2° | 174.3° |
H42 | C4 | C3 | H31 | 71.8° | 54.8° |
H42 | C4 | C3 | H32 | 48.2° | 64.7° |
C2 | C3 | H31 | H32 | 118.8° | 120.8° |
C3 | C2 | N65 | C1 | 119.6° | 121.0° |
C3 | C2 | N65 | H2 | 119.9° | 119.5° |
C3 | C2 | C1 | H2 | 119.9° | 120.3° |
C3 | C2 | N65 | H65 | 67.7° | 117.5° |
C3 | C2 | C1 | O66 | 96.0° | 39.5° |
C3 | C2 | C1 | O65 | 83.5° | 140.4° |
H31 | C3 | C2 | N65 | 172.2° | 169.4° |
H31 | C3 | C2 | C1 | 66.9° | 70.0° |
H31 | C3 | C2 | H2 | 53.7° | 50.7° |
H32 | C3 | C2 | N65 | 67.8° | 70.5° |
H32 | C3 | C2 | C1 | 53.2° | 50.1° |
H32 | C3 | C2 | H2 | 173.7° | 170.7° |
N65 | C2 | C1 | H2 | 118.5° | 118.3° |
N65 | C2 | C1 | O66 | 25.6° | 81.9° |
N65 | C2 | C1 | O65 | 155.0° | 98.1° |
C1 | C2 | N65 | H65 | 51.9° | 3.5° |
C2 | C1 | O66 | O65 | 179.3° | 180.0° |
C2 | C1 | O65 | C23 | 178.8° | 178.3° |
H2 | C2 | N65 | H65 | 172.4° | 122.9° |
H2 | C2 | C1 | O66 | 144.1° | 159.8° |
H2 | C2 | C1 | O65 | 36.5° | 20.2° |
O66 | C1 | O65 | C23 | 1.8° | 1.7° |
C1 | O65 | C23 | C22 | 96.7° | 118.3° |
C1 | O65 | C23 | C24 | 143.8° | 121.7° |
C1 | O65 | C23 | H23 | 21.5° | 2.0° |
O65 | C23 | C22 | C24 | 116.7° | 120.1° |
O65 | C23 | C22 | H23 | 121.0° | 120.7° |
O65 | C23 | C24 | H23 | 120.9° | 120.2° |
O65 | C23 | C22 | C21 | 67.8° | 121.3° |
O65 | C23 | C22 | H221 | 52.2° | 1.6° |
O65 | C23 | C22 | H222 | 172.2° | 118.7° |
O65 | C23 | C24 | C49 | 33.5° | 55.1° |
O65 | C23 | C24 | C25 | 149.0° | 125.0° |
C22 | C23 | C24 | H23 | 118.2° | 119.3° |
C23 | C22 | C21 | H221 | 120.0° | 119.7° |
C23 | C22 | C21 | H222 | 120.0° | 119.9° |
C23 | C22 | H221 | H222 | 118.3° | 120.3° |
C23 | C22 | C21 | C20 | 140.3° | 157.7° |
C23 | C22 | C21 | H21 | 39.8° | 22.4° |
C22 | C23 | C24 | C49 | 87.4° | 65.5° |
C22 | C23 | C24 | C25 | 90.1° | 114.4° |
C24 | C23 | C22 | C21 | 175.5° | 118.6° |
C24 | C23 | C22 | H221 | 64.5° | 121.6° |
C24 | C23 | C22 | H222 | 55.5° | 1.3° |
C23 | C24 | C49 | C25 | 177.5° | 180.0° |
C23 | C24 | C49 | H491 | 180.0° | 90.0° |
C23 | C24 | C49 | H492 | 60.0° | 150.0° |
C23 | C24 | C49 | H493 | 60.0° | 30.0° |
C23 | C24 | C25 | C26 | 178.8° | 180.0° |
C23 | C24 | C25 | H25 | 1.2° | 0.1° |
H23 | C23 | C22 | C21 | 53.1° | 0.6° |
H23 | C23 | C22 | H221 | 173.1° | 119.2° |
H23 | C23 | C22 | H222 | 66.9° | 120.5° |
H23 | C23 | C24 | C49 | 154.4° | 175.2° |
H23 | C23 | C24 | C25 | 28.1° | 4.8° |
C21 | C22 | H221 | H222 | 118.2° | 120.6° |
C22 | C21 | C20 | H21 | 180.0° | 179.9° |
C22 | C21 | C20 | C19 | 179.9° | 179.6° |
C22 | C21 | C20 | H20 | 0.2° | 0.3° |
H221 | C22 | C21 | C20 | 20.3° | 38.0° |
H221 | C22 | C21 | H21 | 159.8° | 142.1° |
H222 | C22 | C21 | C20 | 99.7° | 82.5° |
H222 | C22 | C21 | H21 | 80.3° | 97.5° |
C21 | C20 | C19 | H20 | 180.0° | 179.9° |
C21 | C20 | C19 | C18 | 179.8° | 179.6° |
C21 | C20 | C19 | H19 | 0.2° | 0.5° |
H21 | C21 | C20 | C19 | 0.2° | 0.5° |
H21 | C21 | C20 | H20 | 179.8° | 179.6° |
C20 | C19 | C18 | H19 | 180.0° | 179.9° |
C20 | C19 | C18 | C17 | 179.1° | 179.0° |
C20 | C19 | C18 | H18 | 0.9° | 1.3° |
H20 | C20 | C19 | C18 | 0.2° | 0.3° |
H20 | C20 | C19 | H19 | 179.8° | 179.6° |
C19 | C18 | C17 | H18 | 180.0° | 179.7° |
C19 | C18 | C17 | O73 | 119.4° | 134.8° |
C19 | C18 | C17 | C16 | 114.4° | 104.9° |
C19 | C18 | C17 | H17 | 3.3° | 15.0° |
H19 | C19 | C18 | C17 | 0.9° | 1.1° |
H19 | C19 | C18 | H18 | 179.1° | 178.6° |
C18 | C17 | O73 | C16 | 125.6° | 120.6° |
C18 | C17 | O73 | H17 | 116.8° | 120.0° |
C18 | C17 | C16 | H17 | 117.0° | 120.1° |
C18 | C17 | O73 | H73 | 180.0° | 60.0° |
C18 | C17 | C16 | C50 | 49.7° | 67.3° |
C18 | C17 | C16 | C15 | 166.6° | 52.1° |
C18 | C17 | C16 | H16 | 72.6° | 173.6° |
H18 | C18 | C17 | O73 | 60.6° | 44.9° |
H18 | C18 | C17 | C16 | 65.6° | 75.4° |
H18 | C18 | C17 | H17 | 176.7° | 164.7° |
O73 | C17 | C16 | H17 | 116.2° | 119.5° |
O73 | C17 | C16 | C50 | 176.5° | 53.1° |
O73 | C17 | C16 | C15 | 66.6° | 172.6° |
O73 | C17 | C16 | H16 | 54.2° | 66.0° |
C16 | C17 | O73 | H73 | 54.4° | 179.4° |
C17 | C16 | C50 | C15 | 116.7° | 118.9° |
C17 | C16 | C50 | H16 | 122.5° | 119.1° |
C17 | C16 | C15 | H16 | 122.7° | 120.0° |
C17 | C16 | C50 | H501 | 180.0° | 65.5° |
C17 | C16 | C50 | H502 | 60.0° | 174.6° |
C17 | C16 | C50 | H503 | 60.0° | 54.5° |
C17 | C16 | C15 | O72 | 70.3° | 88.3° |
C17 | C16 | C15 | H15 | 49.8° | 30.6° |
H17 | C17 | O73 | H73 | 63.3° | 60.0° |
H17 | C17 | C16 | C50 | 67.4° | 172.6° |
H17 | C17 | C16 | C15 | 49.6° | 68.0° |
H17 | C17 | C16 | H16 | 170.3° | 53.5° |
C50 | C16 | C15 | H16 | 122.5° | 120.7° |
C16 | C50 | H501 | H502 | 120.0° | 119.9° |
C16 | C50 | H501 | H503 | 120.0° | 120.0° |
C16 | C50 | H502 | H503 | 120.0° | 120.1° |
C50 | C16 | C15 | O72 | 44.4° | 30.9° |
C50 | C16 | C15 | H15 | 164.6° | 149.8° |
C15 | C16 | C50 | H501 | 63.3° | 175.6° |
C15 | C16 | C50 | H502 | 56.7° | 55.7° |
C15 | C16 | C50 | H503 | 176.7° | 64.4° |
C16 | C15 | O72 | H15 | 116.0° | 119.1° |
C16 | C15 | O72 | H72 | 52.9° | 53.8° |
H16 | C16 | C50 | H501 | 57.5° | 53.5° |
H16 | C16 | C50 | H502 | 177.5° | 66.4° |
H16 | C16 | C50 | H503 | 62.5° | 173.6° |
H16 | C16 | C15 | O72 | 166.9° | 151.6° |
H16 | C16 | C15 | H15 | 72.9° | 89.4° |
H501 | C50 | H502 | H503 | 120.0° | 120.0° |
H15 | C15 | O72 | H72 | 63.1° | 65.3° |
C24 | C49 | H491 | H492 | 120.0° | 120.0° |
C24 | C49 | H491 | H493 | 120.0° | 120.0° |
C24 | C49 | H492 | H493 | 120.0° | 120.0° |
C49 | C24 | C25 | C26 | 1.5° | 0.0° |
C49 | C24 | C25 | H25 | 178.6° | 179.9° |
C25 | C24 | C49 | H491 | 2.5° | 90.0° |
C25 | C24 | C49 | H492 | 117.5° | 30.0° |
C25 | C24 | C49 | H493 | 122.5° | 150.0° |
C24 | C25 | C26 | H25 | 180.0° | 179.9° |
C24 | C25 | C26 | O78 | 176.5° | 135.0° |
C24 | C25 | C26 | H261 | 63.5° | 104.9° |
C24 | C25 | C26 | H262 | 56.5° | 15.0° |
H491 | C49 | H492 | H493 | 120.0° | 120.0° |
C25 | C26 | O78 | H261 | 120.0° | 120.1° |
C25 | C26 | O78 | H262 | 120.0° | 120.0° |
C25 | C26 | H261 | H262 | 120.9° | 120.0° |
C25 | C26 | O78 | H78 | 180.0° | 180.0° |
H25 | C25 | C26 | O78 | 3.5° | 45.1° |
H25 | C25 | C26 | H261 | 116.5° | 75.0° |
H25 | C25 | C26 | H262 | 123.5° | 165.1° |
O78 | C26 | H261 | H262 | 121.0° | 120.0° |
H261 | C26 | O78 | H78 | 60.0° | 60.0° |
H262 | C26 | O78 | H78 | 60.0° | 60.0° |