BXM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C34 | C33 | sing | 1.53Å | 1.54Å | |
C42 | C33 | sing | 1.53Å | 1.55Å | |
C33 | C38 | sing | 1.53Å | 1.53Å | |
C33 | C28 | sing | 1.51Å | 1.52Å | |
C28 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C29 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
C31 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
C23 | C21 | sing | 1.48Å | 1.44Å | |
C21 | O22 | doub | 1.22Å | 1.24Å | |
C21 | N19 | sing | 1.35Å | 1.38Å | |
N19 | C4 | sing | 1.40Å | 1.38Å | |
C3 | C2 | sing | 1.51Å | 1.53Å | |
C4 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
C60 | N16 | sing | 1.47Å | 1.49Å | |
C5 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | N16 | sing | 1.36Å | 1.41Å | |
C17 | C11 | doub | 1.36Å | 1.38Å | |
N16 | C14 | sing | 1.35Å | 1.42Å | |
C1 | C11 | sing | 1.48Å | 1.49Å | |
C1 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
C11 | C12 | sing | 1.41Å | 1.45Å | |
C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C14 | O15 | doub | 1.22Å | 1.24Å | |
C14 | C13 | sing | 1.41Å | 1.48Å | |
C12 | C13 | doub | 1.37Å | 1.36Å | |
C13 | N47 | sing | 1.40Å | 1.38Å | |
N47 | C46 | sing | 1.38Å | 1.37Å | |
N48 | C46 | doub | 1.33Å | 1.37Å | Aromatic |
N48 | C49 | sing | 1.32Å | 1.33Å | Aromatic |
C46 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
C49 | C50 | doub | 1.40Å | 1.40Å | Aromatic |
C52 | C51 | doub | 1.37Å | 1.37Å | Aromatic |
C51 | C50 | sing | 1.40Å | 1.41Å | Aromatic |
C50 | C71 | sing | 1.48Å | 1.50Å | |
C71 | O72 | doub | 1.22Å | 1.23Å | |
C71 | N83 | sing | 1.35Å | 1.45Å | |
C82 | N83 | sing | 1.47Å | 1.49Å | |
C82 | C81 | sing | 1.53Å | 1.53Å | |
N83 | C84 | sing | 1.47Å | 1.49Å | |
C81 | O86 | sing | 1.43Å | 1.40Å | |
C84 | C85 | sing | 1.53Å | 1.58Å | |
O86 | C85 | sing | 1.43Å | 1.41Å | |
C12 | H1 | sing | 1.08Å | 1.08Å | |
C17 | H2 | sing | 1.08Å | 1.08Å | |
C24 | H3 | sing | 1.08Å | 1.08Å | |
C26 | H4 | sing | 1.08Å | 1.08Å | |
C29 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C31 | H9 | sing | 1.08Å | 1.08Å | |
C34 | H10 | sing | 1.09Å | 1.10Å | |
C34 | H11 | sing | 1.09Å | 1.10Å | |
C34 | H12 | sing | 1.09Å | 1.10Å | |
C38 | H13 | sing | 1.09Å | 1.10Å | |
C38 | H14 | sing | 1.09Å | 1.10Å | |
C38 | H15 | sing | 1.09Å | 1.10Å | |
C42 | H16 | sing | 1.09Å | 1.10Å | |
C42 | H17 | sing | 1.09Å | 1.10Å | |
C42 | H18 | sing | 1.09Å | 1.10Å | |
C49 | H19 | sing | 1.08Å | 1.08Å | |
C5 | H20 | sing | 1.08Å | 1.08Å | |
C51 | H21 | sing | 1.08Å | 1.08Å | |
C52 | H22 | sing | 1.08Å | 1.08Å | |
C60 | H23 | sing | 1.09Å | 1.10Å | |
C60 | H24 | sing | 1.09Å | 1.10Å | |
C60 | H25 | sing | 1.09Å | 1.10Å | |
C7 | H26 | sing | 1.08Å | 1.08Å | |
C81 | H27 | sing | 1.09Å | 1.10Å | |
C81 | H28 | sing | 1.09Å | 1.10Å | |
C82 | H29 | sing | 1.09Å | 1.10Å | |
C82 | H30 | sing | 1.09Å | 1.10Å | |
C84 | H31 | sing | 1.09Å | 1.10Å | |
C84 | H32 | sing | 1.09Å | 1.10Å | |
C85 | H33 | sing | 1.09Å | 1.10Å | |
C85 | H34 | sing | 1.09Å | 1.10Å | |
C9 | H35 | sing | 1.08Å | 1.08Å | |
N19 | H36 | sing | 0.97Å | 1.00Å | |
N47 | H37 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C34 | C33 | C42 | 109.1° | 109.5° |
C34 | C33 | C38 | 107.6° | 109.5° |
C34 | C33 | C28 | 110.2° | 109.5° |
C33 | C34 | H10 | 109.5° | 109.5° |
C33 | C34 | H11 | 109.4° | 109.5° |
C33 | C34 | H12 | 109.5° | 109.4° |
C42 | C33 | C38 | 106.9° | 109.5° |
C42 | C33 | C28 | 113.4° | 109.5° |
C33 | C42 | H16 | 109.5° | 109.5° |
C33 | C42 | H17 | 109.5° | 109.5° |
C33 | C42 | H18 | 109.4° | 109.4° |
C38 | C33 | C28 | 109.4° | 109.5° |
C33 | C38 | H13 | 109.5° | 109.5° |
C33 | C38 | H14 | 109.5° | 109.5° |
C33 | C38 | H15 | 109.5° | 109.5° |
C33 | C28 | C26 | 124.0° | 119.9° |
C33 | C28 | C29 | 120.5° | 119.9° |
C26 | C28 | C29 | 115.4° | 120.3° |
C28 | C26 | C24 | 122.8° | 120.2° |
C28 | C26 | H4 | 118.6° | 119.9° |
C28 | C29 | C31 | 121.8° | 120.2° |
C28 | C29 | H5 | 119.1° | 119.9° |
C26 | C24 | C23 | 121.1° | 119.8° |
C26 | C24 | H3 | 119.4° | 120.1° |
C24 | C26 | H4 | 118.6° | 119.9° |
C29 | C31 | C23 | 122.2° | 119.8° |
C31 | C29 | H5 | 119.1° | 119.9° |
C29 | C31 | H9 | 118.9° | 120.1° |
C24 | C23 | C31 | 116.6° | 119.7° |
C24 | C23 | C21 | 125.6° | 120.1° |
C23 | C24 | H3 | 119.4° | 120.1° |
C31 | C23 | C21 | 117.7° | 120.1° |
C23 | C31 | H9 | 118.9° | 120.1° |
C23 | C21 | O22 | 117.9° | 120.0° |
C23 | C21 | N19 | 123.4° | 120.0° |
O22 | C21 | N19 | 118.7° | 120.0° |
C21 | N19 | C4 | 127.1° | 120.0° |
C21 | N19 | H36 | 116.4° | 120.0° |
N19 | C4 | C2 | 117.8° | 120.0° |
N19 | C4 | C5 | 121.6° | 120.0° |
C4 | N19 | H36 | 116.4° | 120.0° |
C3 | C2 | C4 | 118.0° | 120.1° |
C3 | C2 | C1 | 120.2° | 120.1° |
C2 | C3 | H6 | 109.5° | 109.5° |
C2 | C3 | H7 | 109.5° | 109.5° |
C2 | C3 | H8 | 109.4° | 109.5° |
C2 | C4 | C5 | 120.6° | 120.0° |
C4 | C2 | C1 | 121.8° | 119.8° |
C4 | C5 | C7 | 119.6° | 120.2° |
C4 | C5 | H20 | 120.2° | 120.0° |
C2 | C1 | C11 | 123.4° | 120.1° |
C2 | C1 | C9 | 114.9° | 119.8° |
C60 | N16 | C17 | 122.5° | 119.6° |
C60 | N16 | C14 | 117.3° | 119.5° |
N16 | C60 | H23 | 109.5° | 109.4° |
N16 | C60 | H24 | 109.5° | 109.4° |
N16 | C60 | H25 | 109.5° | 109.5° |
C5 | C7 | C9 | 119.6° | 120.2° |
C7 | C5 | H20 | 120.2° | 119.9° |
C5 | C7 | H26 | 120.2° | 119.9° |
N16 | C17 | C11 | 125.7° | 120.7° |
C17 | N16 | C14 | 120.1° | 120.9° |
N16 | C17 | H2 | 117.2° | 119.7° |
C17 | C11 | C1 | 125.7° | 120.1° |
C17 | C11 | C12 | 113.9° | 119.8° |
C11 | C17 | H2 | 117.2° | 119.6° |
N16 | C14 | O15 | 120.4° | 119.9° |
N16 | C14 | C13 | 116.0° | 120.2° |
C11 | C1 | C9 | 121.7° | 120.1° |
C1 | C11 | C12 | 120.3° | 120.1° |
C1 | C9 | C7 | 123.5° | 120.0° |
C1 | C9 | H35 | 118.3° | 120.0° |
C11 | C12 | C13 | 123.9° | 119.1° |
C11 | C12 | H1 | 118.1° | 120.4° |
C9 | C7 | H26 | 120.2° | 119.9° |
C7 | C9 | H35 | 118.3° | 120.0° |
O15 | C14 | C13 | 123.6° | 119.9° |
C14 | C13 | C12 | 120.4° | 119.3° |
C14 | C13 | N47 | 110.3° | 120.3° |
C12 | C13 | N47 | 129.4° | 120.4° |
C13 | C12 | H1 | 118.1° | 120.4° |
C13 | N47 | C46 | 129.1° | 120.0° |
C13 | N47 | H37 | 115.5° | 120.0° |
N47 | C46 | N48 | 122.7° | 119.5° |
N47 | C46 | C52 | 118.5° | 119.6° |
C46 | N47 | H37 | 115.4° | 120.0° |
C46 | N48 | C49 | 118.4° | 121.6° |
N48 | C46 | C52 | 118.8° | 120.9° |
N48 | C49 | C50 | 127.5° | 120.5° |
N48 | C49 | H19 | 116.3° | 119.8° |
C46 | C52 | C51 | 120.7° | 119.4° |
C46 | C52 | H22 | 119.6° | 120.3° |
C49 | C50 | C51 | 112.5° | 119.0° |
C49 | C50 | C71 | 126.4° | 120.5° |
C50 | C49 | H19 | 116.3° | 119.7° |
C52 | C51 | C50 | 122.2° | 118.5° |
C52 | C51 | H21 | 118.9° | 120.8° |
C51 | C52 | H22 | 119.6° | 120.3° |
C51 | C50 | C71 | 121.1° | 120.5° |
C50 | C51 | H21 | 118.9° | 120.7° |
C50 | C71 | O72 | 117.7° | 120.0° |
C50 | C71 | N83 | 123.6° | 120.0° |
O72 | C71 | N83 | 118.7° | 120.0° |
C71 | N83 | C82 | 122.0° | 121.0° |
C71 | N83 | C84 | 127.0° | 121.0° |
N83 | C82 | C81 | 118.4° | 108.4° |
C82 | N83 | C84 | 111.0° | 118.0° |
N83 | C82 | H29 | 107.2° | 109.6° |
N83 | C82 | H30 | 107.2° | 109.7° |
C82 | C81 | O86 | 110.9° | 109.2° |
C82 | C81 | H27 | 109.1° | 109.5° |
C82 | C81 | H28 | 109.1° | 109.5° |
C81 | C82 | H29 | 107.2° | 109.7° |
C81 | C82 | H30 | 107.2° | 109.7° |
N83 | C84 | C85 | 113.7° | 108.4° |
N83 | C84 | H31 | 108.4° | 109.7° |
N83 | C84 | H32 | 108.4° | 109.7° |
C81 | O86 | C85 | 111.4° | 114.2° |
O86 | C81 | H27 | 109.1° | 109.6° |
O86 | C81 | H28 | 109.1° | 109.5° |
C84 | C85 | O86 | 112.8° | 109.2° |
C85 | C84 | H31 | 108.4° | 109.7° |
C85 | C84 | H32 | 108.4° | 109.6° |
C84 | C85 | H33 | 108.6° | 109.6° |
C84 | C85 | H34 | 108.7° | 109.5° |
O86 | C85 | H33 | 108.6° | 109.4° |
O86 | C85 | H34 | 108.6° | 109.5° |
H6 | C3 | H7 | 109.4° | 109.5° |
H6 | C3 | H8 | 109.5° | 109.4° |
H7 | C3 | H8 | 109.5° | 109.5° |
H10 | C34 | H11 | 109.5° | 109.5° |
H10 | C34 | H12 | 109.5° | 109.5° |
H11 | C34 | H12 | 109.5° | 109.5° |
H13 | C38 | H14 | 109.4° | 109.5° |
H13 | C38 | H15 | 109.5° | 109.4° |
H14 | C38 | H15 | 109.5° | 109.4° |
H16 | C42 | H17 | 109.5° | 109.5° |
H16 | C42 | H18 | 109.5° | 109.5° |
H17 | C42 | H18 | 109.5° | 109.5° |
H23 | C60 | H24 | 109.5° | 109.5° |
H23 | C60 | H25 | 109.5° | 109.5° |
H24 | C60 | H25 | 109.4° | 109.5° |
H27 | C81 | H28 | 109.5° | 109.5° |
H29 | C82 | H30 | 109.4° | 109.7° |
H31 | C84 | H32 | 109.5° | 109.7° |
H33 | C85 | H34 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C34 | C33 | C42 | C38 | 116.1° | 120.0° |
C34 | C33 | C42 | C28 | 123.2° | 120.0° |
C34 | C33 | C38 | C28 | 119.7° | 120.0° |
C34 | C33 | C28 | C26 | 12.6° | 60.0° |
C34 | C33 | C28 | C29 | 170.3° | 120.0° |
C33 | C34 | H10 | H11 | 120.0° | 120.0° |
C33 | C34 | H10 | H12 | 120.0° | 119.9° |
C33 | C34 | H11 | H12 | 120.0° | 120.0° |
C34 | C33 | C38 | H13 | 180.0° | 180.0° |
C34 | C33 | C38 | H14 | 60.0° | 60.0° |
C34 | C33 | C38 | H15 | 60.0° | 60.0° |
C34 | C33 | C42 | H16 | 180.0° | 180.0° |
C34 | C33 | C42 | H17 | 60.0° | 60.0° |
C34 | C33 | C42 | H18 | 60.0° | 60.0° |
C42 | C33 | C38 | C28 | 123.2° | 120.0° |
C42 | C33 | C28 | C26 | 135.2° | 180.0° |
C42 | C33 | C28 | C29 | 47.6° | 0.0° |
C42 | C33 | C34 | H10 | 180.0° | 60.0° |
C42 | C33 | C34 | H11 | 60.0° | 60.0° |
C42 | C33 | C34 | H12 | 60.0° | 180.0° |
C42 | C33 | C38 | H13 | 62.9° | 60.0° |
C42 | C33 | C38 | H14 | 57.1° | 60.1° |
C42 | C33 | C38 | H15 | 177.1° | 180.0° |
C33 | C42 | H16 | H17 | 120.0° | 120.0° |
C33 | C42 | H16 | H18 | 120.0° | 120.0° |
C33 | C42 | H17 | H18 | 120.0° | 120.0° |
C38 | C33 | C28 | C26 | 105.5° | 60.0° |
C38 | C33 | C28 | C29 | 71.6° | 120.0° |
C38 | C33 | C34 | H10 | 64.4° | 60.0° |
C38 | C33 | C34 | H11 | 55.6° | 180.0° |
C38 | C33 | C34 | H12 | 175.6° | 60.0° |
C33 | C38 | H13 | H14 | 120.0° | 120.1° |
C33 | C38 | H13 | H15 | 120.0° | 120.0° |
C33 | C38 | H14 | H15 | 120.0° | 120.0° |
C38 | C33 | C42 | H16 | 63.9° | 60.0° |
C38 | C33 | C42 | H17 | 176.0° | 180.0° |
C38 | C33 | C42 | H18 | 56.1° | 60.0° |
C33 | C28 | C26 | C29 | 177.3° | 179.9° |
C33 | C28 | C26 | C24 | 178.2° | 179.9° |
C33 | C28 | C29 | C31 | 178.3° | 179.7° |
C33 | C28 | C26 | H4 | 1.8° | 0.1° |
C33 | C28 | C29 | H5 | 1.7° | 0.0° |
C28 | C33 | C34 | H10 | 54.8° | 180.0° |
C28 | C33 | C34 | H11 | 174.8° | 60.0° |
C28 | C33 | C34 | H12 | 65.2° | 60.0° |
C28 | C33 | C38 | H13 | 60.4° | 59.9° |
C28 | C33 | C38 | H14 | 179.7° | 180.0° |
C28 | C33 | C38 | H15 | 59.7° | 60.1° |
C28 | C33 | C42 | H16 | 56.8° | 60.0° |
C28 | C33 | C42 | H17 | 63.2° | 60.0° |
C28 | C33 | C42 | H18 | 176.8° | 180.0° |
C28 | C26 | C24 | H4 | 180.0° | 180.0° |
C26 | C28 | C29 | C31 | 0.9° | 0.3° |
C28 | C26 | C24 | C23 | 1.1° | 0.0° |
C28 | C26 | C24 | H3 | 178.9° | 180.0° |
C26 | C28 | C29 | H5 | 179.1° | 179.9° |
C29 | C28 | C26 | C24 | 0.9° | 0.0° |
C28 | C29 | C31 | H5 | 180.0° | 179.7° |
C28 | C29 | C31 | C23 | 1.0° | 0.6° |
C29 | C28 | C26 | H4 | 179.1° | 180.0° |
C28 | C29 | C31 | H9 | 179.0° | 180.0° |
C26 | C24 | C23 | H3 | 180.0° | 179.9° |
C26 | C24 | C23 | C31 | 1.1° | 0.2° |
C26 | C24 | C23 | C21 | 178.9° | 180.0° |
C29 | C31 | C23 | C24 | 1.1° | 0.6° |
C29 | C31 | C23 | H9 | 180.0° | 179.4° |
C29 | C31 | C23 | C21 | 179.1° | 179.7° |
C24 | C23 | C31 | C21 | 178.0° | 179.7° |
C24 | C23 | C21 | O22 | 26.0° | 0.0° |
C24 | C23 | C21 | N19 | 155.9° | 180.0° |
C23 | C24 | C26 | H4 | 178.9° | 179.9° |
C24 | C23 | C31 | H9 | 179.0° | 179.9° |
C31 | C23 | C21 | O22 | 151.8° | 179.7° |
C31 | C23 | C21 | N19 | 26.3° | 0.3° |
C31 | C23 | C24 | H3 | 178.9° | 179.7° |
C23 | C31 | C29 | H5 | 179.0° | 179.7° |
C23 | C21 | O22 | N19 | 178.2° | 180.0° |
C23 | C21 | N19 | C4 | 174.4° | 176.3° |
C21 | C23 | C24 | H3 | 1.1° | 0.0° |
C21 | C23 | C31 | H9 | 1.0° | 0.3° |
C23 | C21 | N19 | H36 | 5.7° | 3.7° |
O22 | C21 | N19 | C4 | 3.7° | 3.7° |
O22 | C21 | N19 | H36 | 176.3° | 176.3° |
C21 | N19 | C4 | H36 | 180.0° | 180.0° |
C21 | N19 | C4 | C2 | 77.7° | 151.1° |
C21 | N19 | C4 | C5 | 102.9° | 28.9° |
N19 | C4 | C2 | C3 | 0.4° | 0.0° |
N19 | C4 | C2 | C5 | 179.5° | 180.0° |
N19 | C4 | C2 | C1 | 179.6° | 180.0° |
N19 | C4 | C5 | C7 | 179.6° | 180.0° |
N19 | C4 | C5 | H20 | 0.4° | 0.0° |
C3 | C2 | C4 | C1 | 179.2° | 180.0° |
C3 | C2 | C4 | C5 | 179.1° | 180.0° |
C3 | C2 | C1 | C11 | 0.7° | 0.0° |
C3 | C2 | C1 | C9 | 179.6° | 179.7° |
C2 | C3 | H6 | H7 | 120.0° | 120.0° |
C2 | C3 | H6 | H8 | 120.0° | 120.0° |
C2 | C3 | H7 | H8 | 120.0° | 120.1° |
C2 | C4 | C5 | C7 | 0.2° | 0.1° |
C4 | C2 | C1 | C11 | 180.0° | 180.0° |
C4 | C2 | C1 | C9 | 0.4° | 0.3° |
C4 | C2 | C3 | H6 | 89.6° | 90.0° |
C4 | C2 | C3 | H7 | 150.4° | 30.0° |
C4 | C2 | C3 | H8 | 30.4° | 150.0° |
C2 | C4 | C5 | H20 | 179.8° | 180.0° |
C2 | C4 | N19 | H36 | 102.4° | 28.9° |
C5 | C4 | C2 | C1 | 0.1° | 0.0° |
C4 | C5 | C7 | H20 | 180.0° | 180.0° |
C4 | C5 | C7 | C9 | 0.3° | 0.4° |
C4 | C5 | C7 | H26 | 179.7° | 180.0° |
C5 | C4 | N19 | H36 | 77.1° | 151.1° |
C2 | C1 | C11 | C17 | 42.3° | 105.0° |
C2 | C1 | C11 | C9 | 179.7° | 179.7° |
C2 | C1 | C11 | C12 | 140.4° | 75.2° |
C2 | C1 | C9 | C7 | 0.9° | 0.6° |
C1 | C2 | C3 | H6 | 89.6° | 90.0° |
C1 | C2 | C3 | H7 | 30.4° | 150.0° |
C1 | C2 | C3 | H8 | 150.4° | 30.0° |
C2 | C1 | C9 | H35 | 179.1° | 179.8° |
C60 | N16 | C17 | C14 | 179.5° | 179.4° |
C60 | N16 | C17 | C11 | 178.0° | 180.0° |
C60 | N16 | C14 | O15 | 0.1° | 0.3° |
C60 | N16 | C14 | C13 | 179.2° | 179.8° |
C60 | N16 | C17 | H2 | 2.0° | 0.5° |
N16 | C60 | H23 | H24 | 120.0° | 120.0° |
N16 | C60 | H23 | H25 | 120.0° | 120.0° |
N16 | C60 | H24 | H25 | 120.0° | 120.0° |
C5 | C7 | C9 | C1 | 0.9° | 0.6° |
C5 | C7 | C9 | H26 | 180.0° | 179.6° |
C5 | C7 | C9 | H35 | 179.1° | 179.7° |
N16 | C17 | C11 | H2 | 180.0° | 179.5° |
N16 | C17 | C11 | C1 | 179.9° | 179.7° |
N16 | C17 | C11 | C12 | 2.5° | 0.5° |
C17 | N16 | C14 | O15 | 179.6° | 179.7° |
C17 | N16 | C14 | C13 | 1.3° | 0.3° |
C17 | N16 | C60 | H23 | 180.0° | 90.0° |
C17 | N16 | C60 | H24 | 60.0° | 150.0° |
C17 | N16 | C60 | H25 | 60.0° | 30.0° |
C11 | C17 | N16 | C14 | 2.5° | 0.6° |
C17 | C11 | C1 | C12 | 177.3° | 179.8° |
C17 | C11 | C1 | C9 | 137.4° | 74.8° |
C17 | C11 | C12 | C13 | 1.6° | 0.2° |
C17 | C11 | C12 | H1 | 178.4° | 179.8° |
N16 | C14 | O15 | C13 | 179.1° | 180.0° |
N16 | C14 | C13 | C12 | 0.5° | 0.0° |
N16 | C14 | C13 | N47 | 179.7° | 179.9° |
C14 | N16 | C17 | H2 | 177.5° | 180.0° |
C14 | N16 | C60 | H23 | 0.5° | 90.6° |
C14 | N16 | C60 | H24 | 119.5° | 29.4° |
C14 | N16 | C60 | H25 | 120.5° | 149.4° |
C11 | C1 | C9 | C7 | 179.4° | 179.7° |
C1 | C11 | C12 | C13 | 179.2° | 180.0° |
C1 | C11 | C12 | H1 | 0.8° | 0.0° |
C1 | C11 | C17 | H2 | 0.1° | 0.2° |
C11 | C1 | C9 | H35 | 0.6° | 0.0° |
C9 | C1 | C11 | C12 | 39.9° | 105.0° |
C1 | C9 | C7 | H35 | 180.0° | 179.6° |
C1 | C9 | C7 | H26 | 179.1° | 179.8° |
C11 | C12 | C13 | C14 | 0.7° | 0.0° |
C11 | C12 | C13 | H1 | 180.0° | 180.0° |
C11 | C12 | C13 | N47 | 179.7° | 180.0° |
C12 | C11 | C17 | H2 | 177.5° | 180.0° |
C9 | C7 | C5 | H20 | 179.7° | 179.7° |
O15 | C14 | C13 | C12 | 179.6° | 180.0° |
O15 | C14 | C13 | N47 | 1.2° | 0.0° |
C14 | C13 | C12 | N47 | 179.0° | 180.0° |
C14 | C13 | N47 | C46 | 176.2° | 57.9° |
C14 | C13 | C12 | H1 | 179.3° | 180.0° |
C14 | C13 | N47 | H37 | 3.8° | 122.2° |
C12 | C13 | N47 | C46 | 3.0° | 122.1° |
C12 | C13 | N47 | H37 | 177.0° | 57.9° |
C13 | N47 | C46 | H37 | 180.0° | 180.0° |
C13 | N47 | C46 | N48 | 11.0° | 176.9° |
C13 | N47 | C46 | C52 | 170.5° | 2.8° |
N47 | C13 | C12 | H1 | 0.3° | 0.0° |
N47 | C46 | N48 | C52 | 178.5° | 179.7° |
N47 | C46 | N48 | C49 | 178.7° | 179.7° |
N47 | C46 | C52 | C51 | 178.8° | 179.9° |
N47 | C46 | C52 | H22 | 1.2° | 0.0° |
C46 | N48 | C49 | C50 | 0.5° | 0.0° |
N48 | C46 | C52 | C51 | 0.2° | 0.2° |
C46 | N48 | C49 | H19 | 179.5° | 179.7° |
N48 | C46 | C52 | H22 | 179.8° | 179.7° |
N48 | C46 | N47 | H37 | 169.1° | 3.1° |
C49 | N48 | C46 | C52 | 0.2° | 0.0° |
N48 | C49 | C50 | H19 | 180.0° | 179.6° |
N48 | C49 | C50 | C51 | 0.6° | 0.3° |
N48 | C49 | C50 | C71 | 178.5° | 179.7° |
C46 | C52 | C51 | H22 | 180.0° | 179.9° |
C46 | C52 | C51 | C50 | 0.4° | 0.5° |
C46 | C52 | C51 | H21 | 179.6° | 180.0° |
C52 | C46 | N47 | H37 | 9.4° | 177.1° |
C49 | C50 | C51 | C52 | 0.5° | 0.5° |
C49 | C50 | C51 | C71 | 179.2° | 180.0° |
C49 | C50 | C71 | O72 | 51.0° | 38.6° |
C49 | C50 | C71 | N83 | 128.7° | 141.2° |
C49 | C50 | C51 | H21 | 179.5° | 180.0° |
C52 | C51 | C50 | H21 | 180.0° | 179.5° |
C52 | C51 | C50 | C71 | 178.7° | 179.5° |
C51 | C50 | C71 | O72 | 129.9° | 141.4° |
C51 | C50 | C71 | N83 | 50.4° | 38.7° |
C51 | C50 | C49 | H19 | 179.4° | 179.9° |
C50 | C51 | C52 | H22 | 179.6° | 179.5° |
C50 | C71 | O72 | N83 | 179.7° | 179.9° |
C50 | C71 | N83 | C82 | 0.4° | 5.5° |
C50 | C71 | N83 | C84 | 179.2° | 174.4° |
C71 | C50 | C49 | H19 | 1.5° | 0.1° |
C71 | C50 | C51 | H21 | 1.3° | 0.0° |
O72 | C71 | N83 | C82 | 179.3° | 174.4° |
O72 | C71 | N83 | C84 | 1.1° | 5.7° |
C71 | N83 | C82 | C84 | 179.6° | 179.9° |
C71 | N83 | C82 | C81 | 141.7° | 129.5° |
C71 | N83 | C84 | C85 | 143.0° | 129.5° |
C71 | N83 | C82 | H29 | 20.5° | 9.7° |
C71 | N83 | C82 | H30 | 97.0° | 110.7° |
C71 | N83 | C84 | H31 | 96.3° | 110.8° |
C71 | N83 | C84 | H32 | 22.4° | 9.8° |
N83 | C82 | C81 | H29 | 121.3° | 119.7° |
N83 | C82 | C81 | H30 | 121.3° | 119.7° |
N83 | C82 | C81 | O86 | 49.0° | 52.3° |
C82 | N83 | C84 | C85 | 36.5° | 50.6° |
N83 | C82 | C81 | H27 | 71.2° | 172.3° |
N83 | C82 | C81 | H28 | 169.2° | 67.6° |
N83 | C82 | H29 | H30 | 115.9° | 120.5° |
C82 | N83 | C84 | H31 | 84.1° | 69.1° |
C82 | N83 | C84 | H32 | 157.2° | 170.3° |
C81 | C82 | N83 | C84 | 37.8° | 50.6° |
C82 | C81 | O86 | H27 | 120.2° | 119.9° |
C82 | C81 | O86 | H28 | 120.2° | 119.9° |
C82 | C81 | O86 | C85 | 58.8° | 62.5° |
C82 | C81 | H27 | H28 | 119.3° | 120.1° |
C81 | C82 | H29 | H30 | 116.0° | 120.6° |
N83 | C84 | C85 | H31 | 120.6° | 119.8° |
N83 | C84 | C85 | H32 | 120.6° | 119.8° |
N83 | C84 | C85 | O86 | 49.4° | 52.3° |
C84 | N83 | C82 | H29 | 159.1° | 170.3° |
C84 | N83 | C82 | H30 | 83.4° | 69.2° |
N83 | C84 | H31 | H32 | 118.1° | 120.6° |
N83 | C84 | C85 | H33 | 169.9° | 67.6° |
N83 | C84 | C85 | H34 | 71.1° | 172.3° |
C81 | O86 | C85 | C84 | 60.6° | 62.6° |
O86 | C81 | H27 | H28 | 119.4° | 120.2° |
O86 | C81 | C82 | H29 | 170.3° | 172.0° |
O86 | C81 | C82 | H30 | 72.3° | 67.4° |
C81 | O86 | C85 | H33 | 178.9° | 57.4° |
C81 | O86 | C85 | H34 | 59.9° | 177.5° |
C84 | C85 | O86 | H33 | 120.5° | 119.9° |
C84 | C85 | O86 | H34 | 120.5° | 120.0° |
C85 | C84 | H31 | H32 | 118.1° | 120.5° |
C84 | C85 | H33 | H34 | 118.5° | 120.2° |
C85 | O86 | C81 | H27 | 61.4° | 177.5° |
C85 | O86 | C81 | H28 | 179.0° | 57.4° |
O86 | C85 | C84 | H31 | 71.2° | 67.5° |
O86 | C85 | C84 | H32 | 170.1° | 172.1° |
O86 | C85 | H33 | H34 | 118.4° | 120.1° |
H3 | C24 | C26 | H4 | 1.1° | 0.0° |
H5 | C29 | C31 | H9 | 1.0° | 0.3° |
H6 | C3 | H7 | H8 | 120.0° | 119.9° |
H10 | C34 | H11 | H12 | 120.0° | 120.0° |
H13 | C38 | H14 | H15 | 120.0° | 119.9° |
H16 | C42 | H17 | H18 | 120.0° | 120.0° |
H20 | C5 | C7 | H26 | 0.3° | 0.1° |
H21 | C51 | C52 | H22 | 0.4° | 0.1° |
H23 | C60 | H24 | H25 | 120.0° | 120.0° |
H26 | C7 | C9 | H35 | 0.9° | 0.1° |
H27 | C81 | C82 | H29 | 50.1° | 68.0° |
H27 | C81 | C82 | H30 | 167.5° | 52.5° |
H28 | C81 | C82 | H29 | 69.5° | 52.0° |
H28 | C81 | C82 | H30 | 48.0° | 172.6° |
H31 | C84 | C85 | H33 | 49.3° | 172.7° |
H31 | C84 | C85 | H34 | 168.3° | 52.5° |
H32 | C84 | C85 | H33 | 69.4° | 52.2° |
H32 | C84 | C85 | H34 | 49.6° | 67.9° |