BHV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O97 | C95 | doub | 1.21Å | 1.21Å | |
C85 | C84 | sing | 1.53Å | 1.53Å | |
C85 | N86 | sing | 1.47Å | 1.46Å | |
C84 | C82 | sing | 1.53Å | 1.53Å | |
C95 | N86 | sing | 1.35Å | 1.36Å | |
C95 | O99 | sing | 1.35Å | 1.34Å | |
N86 | C87 | sing | 1.47Å | 1.49Å | |
C93 | C98 | sing | 1.53Å | 1.52Å | |
C94 | C98 | sing | 1.53Å | 1.52Å | |
C82 | C80 | sing | 1.53Å | 1.53Å | |
C82 | C88 | sing | 1.53Å | 1.50Å | |
C80 | C76 | sing | 1.51Å | 1.51Å | |
O99 | C98 | sing | 1.45Å | 1.50Å | |
C98 | C96 | sing | 1.53Å | 1.52Å | |
C87 | C88 | sing | 1.53Å | 1.53Å | |
C76 | O78 | doub | 1.21Å | 1.22Å | |
C76 | N50 | sing | 1.35Å | 1.34Å | |
C49 | N50 | sing | 1.47Å | 1.46Å | |
C49 | C48 | sing | 1.53Å | 1.53Å | |
N50 | C51 | sing | 1.48Å | 1.46Å | |
C48 | C40 | sing | 1.51Å | 1.49Å | |
C40 | N41 | sing | 1.35Å | 1.35Å | Aromatic |
C40 | C39 | doub | 1.36Å | 1.35Å | Aromatic |
C57 | N41 | sing | 1.46Å | 1.46Å | |
C57 | C59 | sing | 1.53Å | 1.55Å | |
C51 | C39 | sing | 1.51Å | 1.51Å | |
N41 | N42 | sing | 1.40Å | 1.36Å | Aromatic |
C39 | C37 | sing | 1.40Å | 1.42Å | Aromatic |
N42 | C37 | doub | 1.32Å | 1.33Å | Aromatic |
C37 | C1 | sing | 1.48Å | 1.47Å | |
C59 | C61 | sing | 1.53Å | 1.54Å | |
C61 | N63 | sing | 1.47Å | 1.51Å | |
C6 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
C6 | C5 | sing | 1.38Å | 1.37Å | Aromatic |
C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
C69 | N63 | sing | 1.47Å | 1.47Å | |
C69 | C68 | sing | 1.53Å | 1.52Å | |
C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
N63 | C65 | sing | 1.47Å | 1.46Å | |
C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
C4 | C13 | sing | 1.51Å | 1.49Å | |
C3 | C21 | sing | 1.51Å | 1.52Å | |
C65 | C66 | sing | 1.53Å | 1.52Å | |
C68 | O67 | sing | 1.43Å | 1.45Å | |
F19 | C13 | sing | 1.40Å | 1.33Å | |
F17 | C13 | sing | 1.40Å | 1.33Å | |
C13 | F15 | sing | 1.40Å | 1.34Å | |
C21 | N23 | sing | 1.47Å | 1.46Å | |
O27 | C25 | doub | 1.22Å | 1.24Å | |
O67 | C66 | sing | 1.43Å | 1.44Å | |
N23 | C25 | sing | 1.35Å | 1.34Å | |
C25 | C29 | sing | 1.47Å | 1.47Å | |
C29 | C31 | doub | 1.33Å | 1.34Å | |
C31 | C35 | sing | 1.51Å | 1.52Å | |
C31 | C33 | sing | 1.51Å | 1.50Å | |
C21 | H1 | sing | 1.09Å | 1.10Å | |
C21 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.08Å | 1.08Å | |
C2 | H4 | sing | 1.08Å | 1.08Å | |
C6 | H5 | sing | 1.08Å | 1.08Å | |
C29 | H6 | sing | 1.08Å | 1.08Å | |
C33 | H7 | sing | 1.09Å | 1.10Å | |
C33 | H8 | sing | 1.09Å | 1.10Å | |
C33 | H9 | sing | 1.09Å | 1.10Å | |
C35 | H10 | sing | 1.09Å | 1.10Å | |
C35 | H11 | sing | 1.09Å | 1.10Å | |
C35 | H12 | sing | 1.09Å | 1.10Å | |
C48 | H13 | sing | 1.09Å | 1.10Å | |
C48 | H14 | sing | 1.09Å | 1.10Å | |
C49 | H15 | sing | 1.09Å | 1.10Å | |
C49 | H16 | sing | 1.09Å | 1.10Å | |
C51 | H17 | sing | 1.09Å | 1.10Å | |
C51 | H18 | sing | 1.09Å | 1.10Å | |
C57 | H19 | sing | 1.09Å | 1.10Å | |
C57 | H20 | sing | 1.09Å | 1.10Å | |
C59 | H21 | sing | 1.09Å | 1.10Å | |
C61 | H22 | sing | 1.09Å | 1.10Å | |
C65 | H23 | sing | 1.09Å | 1.10Å | |
C65 | H24 | sing | 1.09Å | 1.10Å | |
C66 | H25 | sing | 1.09Å | 1.10Å | |
C66 | H26 | sing | 1.09Å | 1.10Å | |
C68 | H27 | sing | 1.09Å | 1.10Å | |
C68 | H28 | sing | 1.09Å | 1.10Å | |
C69 | H29 | sing | 1.09Å | 1.10Å | |
C69 | H30 | sing | 1.09Å | 1.10Å | |
C80 | H31 | sing | 1.09Å | 1.10Å | |
C80 | H32 | sing | 1.09Å | 1.10Å | |
C82 | H33 | sing | 1.09Å | 1.10Å | |
C84 | H34 | sing | 1.09Å | 1.10Å | |
C84 | H35 | sing | 1.09Å | 1.10Å | |
C85 | H36 | sing | 1.09Å | 1.10Å | |
C85 | H37 | sing | 1.09Å | 1.10Å | |
C87 | H38 | sing | 1.09Å | 1.10Å | |
C87 | H39 | sing | 1.09Å | 1.10Å | |
C88 | H40 | sing | 1.09Å | 1.10Å | |
C88 | H41 | sing | 1.09Å | 1.10Å | |
C93 | H42 | sing | 1.09Å | 1.10Å | |
C93 | H43 | sing | 1.09Å | 1.10Å | |
C93 | H44 | sing | 1.09Å | 1.10Å | |
C94 | H45 | sing | 1.09Å | 1.10Å | |
C94 | H46 | sing | 1.09Å | 1.10Å | |
C94 | H47 | sing | 1.09Å | 1.10Å | |
C96 | H48 | sing | 1.09Å | 1.10Å | |
C96 | H49 | sing | 1.09Å | 1.10Å | |
C96 | H50 | sing | 1.09Å | 1.10Å | |
N23 | H51 | sing | 0.97Å | 1.00Å | |
C59 | H52 | sing | 1.09Å | 1.10Å | |
C61 | H53 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O97 | C95 | N86 | 123.7° | 120.0° |
O97 | C95 | O99 | 125.6° | 120.0° |
C84 | C85 | N86 | 110.7° | 108.8° |
C85 | C84 | C82 | 111.7° | 109.3° |
C85 | C84 | H34 | 108.9° | 109.5° |
C85 | C84 | H35 | 108.9° | 109.5° |
C84 | C85 | H36 | 109.2° | 109.5° |
C84 | C85 | H37 | 109.1° | 109.6° |
C85 | N86 | C95 | 120.8° | 120.6° |
C85 | N86 | C87 | 111.9° | 118.8° |
N86 | C85 | H36 | 109.1° | 109.6° |
N86 | C85 | H37 | 109.2° | 109.6° |
C84 | C82 | C80 | 111.7° | 109.5° |
C84 | C82 | C88 | 109.4° | 109.5° |
C84 | C82 | H33 | 107.3° | 109.5° |
C82 | C84 | H34 | 108.9° | 109.5° |
C82 | C84 | H35 | 108.9° | 109.5° |
N86 | C95 | O99 | 110.7° | 120.1° |
C95 | N86 | C87 | 124.8° | 120.6° |
C95 | O99 | C98 | 121.2° | 117.0° |
N86 | C87 | C88 | 111.2° | 108.8° |
N86 | C87 | H38 | 109.0° | 109.6° |
N86 | C87 | H39 | 109.0° | 109.7° |
C93 | C98 | C94 | 111.5° | 109.5° |
C93 | C98 | O99 | 108.4° | 109.5° |
C93 | C98 | C96 | 111.1° | 109.5° |
C98 | C93 | H42 | 109.5° | 109.5° |
C98 | C93 | H43 | 109.4° | 109.4° |
C98 | C93 | H44 | 109.4° | 109.4° |
C94 | C98 | O99 | 107.0° | 109.4° |
C94 | C98 | C96 | 111.4° | 109.5° |
C98 | C94 | H45 | 109.5° | 109.4° |
C98 | C94 | H46 | 109.4° | 109.5° |
C98 | C94 | H47 | 109.4° | 109.4° |
C80 | C82 | C88 | 113.3° | 109.4° |
C82 | C80 | C76 | 117.3° | 109.4° |
C82 | C80 | H31 | 107.5° | 109.4° |
C82 | C80 | H32 | 107.5° | 109.5° |
C80 | C82 | H33 | 107.3° | 109.4° |
C82 | C88 | C87 | 111.0° | 109.3° |
C88 | C82 | H33 | 107.6° | 109.4° |
C82 | C88 | H40 | 109.1° | 109.5° |
C82 | C88 | H41 | 109.1° | 109.5° |
C80 | C76 | O78 | 120.7° | 120.0° |
C80 | C76 | N50 | 118.0° | 120.0° |
C76 | C80 | H31 | 107.5° | 109.5° |
C76 | C80 | H32 | 107.5° | 109.5° |
O99 | C98 | C96 | 107.1° | 109.5° |
C98 | C96 | H48 | 109.5° | 109.5° |
C98 | C96 | H49 | 109.5° | 109.5° |
C98 | C96 | H50 | 109.5° | 109.5° |
C88 | C87 | H38 | 109.1° | 109.6° |
C88 | C87 | H39 | 109.0° | 109.6° |
C87 | C88 | H40 | 109.1° | 109.5° |
C87 | C88 | H41 | 109.1° | 109.5° |
O78 | C76 | N50 | 121.3° | 120.0° |
C76 | N50 | C49 | 123.3° | 120.8° |
C76 | N50 | C51 | 120.2° | 121.0° |
N50 | C49 | C48 | 113.1° | 109.1° |
C49 | N50 | C51 | 116.6° | 118.2° |
N50 | C49 | H15 | 108.6° | 109.5° |
N50 | C49 | H16 | 108.5° | 109.5° |
C49 | C48 | C40 | 110.1° | 108.9° |
C49 | C48 | H13 | 109.3° | 109.6° |
C49 | C48 | H14 | 109.3° | 109.7° |
C48 | C49 | H15 | 108.5° | 109.4° |
C48 | C49 | H16 | 108.6° | 109.7° |
N50 | C51 | C39 | 108.8° | 107.2° |
N50 | C51 | H17 | 109.6° | 109.9° |
N50 | C51 | H18 | 109.6° | 109.9° |
C48 | C40 | N41 | 127.2° | 127.7° |
C48 | C40 | C39 | 125.2° | 124.4° |
C40 | C48 | H13 | 109.3° | 109.6° |
C40 | C48 | H14 | 109.3° | 109.5° |
N41 | C40 | C39 | 107.6° | 107.9° |
C40 | N41 | C57 | 129.5° | 126.0° |
C40 | N41 | N42 | 112.0° | 108.1° |
C40 | C39 | C51 | 122.6° | 123.9° |
C40 | C39 | C37 | 104.8° | 108.1° |
N41 | C57 | C59 | 111.7° | 109.5° |
C57 | N41 | N42 | 118.5° | 126.0° |
N41 | C57 | H19 | 108.9° | 109.5° |
N41 | C57 | H20 | 108.9° | 109.5° |
C57 | C59 | C61 | 115.3° | 109.5° |
C59 | C57 | H19 | 108.9° | 109.5° |
C59 | C57 | H20 | 108.9° | 109.5° |
C57 | C59 | H21 | 108.0° | 109.5° |
C57 | C59 | H52 | 108.0° | 109.5° |
C51 | C39 | C37 | 132.6° | 128.0° |
C39 | C51 | H17 | 109.7° | 109.9° |
C39 | C51 | H18 | 109.7° | 110.0° |
N41 | N42 | C37 | 104.3° | 108.2° |
C39 | C37 | N42 | 111.3° | 107.8° |
C39 | C37 | C1 | 129.7° | 126.1° |
N42 | C37 | C1 | 119.0° | 126.1° |
C37 | C1 | C6 | 119.8° | 120.1° |
C37 | C1 | C2 | 120.9° | 120.1° |
C59 | C61 | N63 | 115.6° | 109.5° |
C61 | C59 | H21 | 108.0° | 109.5° |
C59 | C61 | H22 | 107.9° | 109.5° |
C61 | C59 | H52 | 108.0° | 109.4° |
C59 | C61 | H53 | 107.9° | 109.5° |
C61 | N63 | C69 | 112.6° | 111.0° |
C61 | N63 | C65 | 112.2° | 111.0° |
N63 | C61 | H22 | 107.9° | 109.5° |
N63 | C61 | H53 | 107.9° | 109.5° |
C1 | C6 | C5 | 120.3° | 119.9° |
C6 | C1 | C2 | 119.4° | 119.8° |
C1 | C6 | H5 | 119.8° | 120.0° |
C6 | C5 | C4 | 120.9° | 120.1° |
C6 | C5 | H3 | 119.6° | 119.9° |
C5 | C6 | H5 | 119.8° | 120.1° |
C1 | C2 | C3 | 121.2° | 119.9° |
C1 | C2 | H4 | 119.4° | 120.1° |
N63 | C69 | C68 | 110.2° | 109.3° |
C69 | N63 | C65 | 108.8° | 110.8° |
N63 | C69 | H29 | 109.3° | 109.5° |
N63 | C69 | H30 | 109.3° | 109.4° |
C69 | C68 | O67 | 112.2° | 109.3° |
C69 | C68 | H27 | 108.8° | 109.5° |
C69 | C68 | H28 | 108.8° | 109.5° |
C68 | C69 | H29 | 109.3° | 109.5° |
C68 | C69 | H30 | 109.3° | 109.5° |
C5 | C4 | C3 | 119.7° | 120.3° |
C5 | C4 | C13 | 118.4° | 119.8° |
C4 | C5 | H3 | 119.6° | 120.0° |
C2 | C3 | C4 | 118.5° | 120.1° |
C2 | C3 | C21 | 119.8° | 120.0° |
C3 | C2 | H4 | 119.4° | 120.0° |
N63 | C65 | C66 | 109.8° | 109.3° |
N63 | C65 | H23 | 109.4° | 109.5° |
N63 | C65 | H24 | 109.4° | 109.5° |
C3 | C4 | C13 | 121.9° | 119.9° |
C4 | C3 | C21 | 121.7° | 119.9° |
C4 | C13 | F19 | 111.3° | 109.5° |
C4 | C13 | F17 | 111.8° | 109.4° |
C4 | C13 | F15 | 113.1° | 109.5° |
C3 | C21 | N23 | 108.0° | 109.4° |
C3 | C21 | H1 | 109.9° | 109.5° |
C3 | C21 | H2 | 109.8° | 109.5° |
C65 | C66 | O67 | 111.7° | 109.3° |
C66 | C65 | H23 | 109.4° | 109.5° |
C66 | C65 | H24 | 109.4° | 109.5° |
C65 | C66 | H25 | 108.9° | 109.5° |
C65 | C66 | H26 | 108.9° | 109.6° |
C68 | O67 | C66 | 110.8° | 113.7° |
O67 | C68 | H27 | 108.8° | 109.5° |
O67 | C68 | H28 | 108.8° | 109.5° |
F19 | C13 | F17 | 105.4° | 109.5° |
F19 | C13 | F15 | 108.4° | 109.5° |
F17 | C13 | F15 | 106.4° | 109.5° |
C21 | N23 | C25 | 123.1° | 120.0° |
N23 | C21 | H1 | 109.8° | 109.5° |
N23 | C21 | H2 | 109.8° | 109.5° |
C21 | N23 | H51 | 118.4° | 120.0° |
O27 | C25 | N23 | 122.2° | 120.0° |
O27 | C25 | C29 | 124.0° | 120.0° |
O67 | C66 | H25 | 108.9° | 109.5° |
O67 | C66 | H26 | 108.9° | 109.5° |
N23 | C25 | C29 | 113.8° | 120.0° |
C25 | N23 | H51 | 118.5° | 120.0° |
C25 | C29 | C31 | 128.0° | 120.0° |
C25 | C29 | H6 | 116.0° | 120.0° |
C29 | C31 | C35 | 125.2° | 120.0° |
C29 | C31 | C33 | 120.1° | 120.0° |
C31 | C29 | H6 | 116.0° | 120.0° |
C35 | C31 | C33 | 114.7° | 120.0° |
C31 | C35 | H10 | 109.5° | 109.5° |
C31 | C35 | H11 | 109.4° | 109.5° |
C31 | C35 | H12 | 109.5° | 109.4° |
C31 | C33 | H7 | 109.5° | 109.5° |
C31 | C33 | H8 | 109.5° | 109.5° |
C31 | C33 | H9 | 109.5° | 109.5° |
H1 | C21 | H2 | 109.5° | 109.5° |
H7 | C33 | H8 | 109.5° | 109.4° |
H7 | C33 | H9 | 109.5° | 109.5° |
H8 | C33 | H9 | 109.5° | 109.5° |
H10 | C35 | H11 | 109.5° | 109.5° |
H10 | C35 | H12 | 109.5° | 109.5° |
H11 | C35 | H12 | 109.5° | 109.5° |
H13 | C48 | H14 | 109.5° | 109.6° |
H15 | C49 | H16 | 109.5° | 109.6° |
H17 | C51 | H18 | 109.5° | 109.9° |
H19 | C57 | H20 | 109.5° | 109.4° |
H21 | C59 | H52 | 109.5° | 109.5° |
H22 | C61 | H53 | 109.5° | 109.4° |
H23 | C65 | H24 | 109.4° | 109.5° |
H25 | C66 | H26 | 109.5° | 109.5° |
H27 | C68 | H28 | 109.4° | 109.4° |
H29 | C69 | H30 | 109.5° | 109.6° |
H31 | C80 | H32 | 109.5° | 109.5° |
H34 | C84 | H35 | 109.5° | 109.5° |
H36 | C85 | H37 | 109.5° | 109.7° |
H38 | C87 | H39 | 109.5° | 109.6° |
H40 | C88 | H41 | 109.5° | 109.5° |
H42 | C93 | H43 | 109.5° | 109.4° |
H42 | C93 | H44 | 109.5° | 109.6° |
H43 | C93 | H44 | 109.5° | 109.5° |
H45 | C94 | H46 | 109.5° | 109.5° |
H45 | C94 | H47 | 109.5° | 109.5° |
H46 | C94 | H47 | 109.5° | 109.5° |
H48 | C96 | H49 | 109.4° | 109.5° |
H48 | C96 | H50 | 109.5° | 109.5° |
H49 | C96 | H50 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O97 | C95 | N86 | C85 | 7.5° | 0.0° |
O97 | C95 | N86 | O99 | 179.6° | 180.0° |
O97 | C95 | N86 | C87 | 168.0° | 180.0° |
O97 | C95 | O99 | C98 | 40.3° | 0.0° |
C84 | C85 | N86 | H36 | 120.2° | 119.7° |
C84 | C85 | N86 | H37 | 120.2° | 119.8° |
C85 | C84 | C82 | H34 | 120.3° | 120.0° |
C85 | C84 | C82 | H35 | 120.3° | 120.0° |
C84 | C85 | N86 | C95 | 99.8° | 126.4° |
C84 | C85 | N86 | C87 | 63.0° | 53.6° |
C85 | C84 | C82 | C80 | 172.4° | 178.6° |
C85 | C84 | C82 | C88 | 46.1° | 61.3° |
C85 | C84 | C82 | H33 | 70.3° | 58.7° |
C85 | C84 | H34 | H35 | 119.0° | 120.1° |
C84 | C85 | H36 | H37 | 119.4° | 120.3° |
N86 | C85 | C84 | C82 | 13.9° | 54.6° |
C85 | N86 | C95 | C87 | 160.5° | 180.0° |
C85 | N86 | C95 | O99 | 172.2° | 180.0° |
C85 | N86 | C87 | C88 | 47.5° | 53.6° |
N86 | C85 | C84 | H34 | 134.2° | 174.6° |
N86 | C85 | C84 | H35 | 106.5° | 65.4° |
N86 | C85 | H36 | H37 | 119.4° | 120.4° |
C85 | N86 | C87 | H38 | 167.8° | 173.4° |
C85 | N86 | C87 | H39 | 72.8° | 66.2° |
C84 | C82 | C80 | C88 | 124.1° | 120.1° |
C84 | C82 | C80 | H33 | 117.3° | 120.0° |
C84 | C82 | C88 | H33 | 116.3° | 120.0° |
C84 | C82 | C80 | C76 | 127.0° | 64.9° |
C84 | C82 | C88 | C87 | 61.4° | 61.3° |
C84 | C82 | C80 | H31 | 5.9° | 55.0° |
C84 | C82 | C80 | H32 | 111.9° | 175.1° |
C82 | C84 | H34 | H35 | 119.0° | 120.0° |
C82 | C84 | C85 | H36 | 134.0° | 65.1° |
C82 | C84 | C85 | H37 | 106.3° | 174.4° |
C84 | C82 | C88 | H40 | 58.9° | 58.6° |
C84 | C82 | C88 | H41 | 178.4° | 178.7° |
N86 | C95 | O99 | C98 | 140.0° | 180.0° |
C95 | N86 | C87 | C88 | 114.5° | 126.4° |
C95 | N86 | C85 | H36 | 20.4° | 113.8° |
C95 | N86 | C85 | H37 | 140.0° | 6.6° |
C95 | N86 | C87 | H38 | 5.8° | 6.6° |
C95 | N86 | C87 | H39 | 125.2° | 113.8° |
O99 | C95 | N86 | C87 | 11.7° | 0.0° |
C95 | O99 | C98 | C93 | 76.4° | 60.0° |
C95 | O99 | C98 | C94 | 44.0° | 60.0° |
C95 | O99 | C98 | C96 | 163.6° | 180.0° |
N86 | C87 | C88 | C82 | 14.6° | 54.6° |
N86 | C87 | C88 | H38 | 120.3° | 119.8° |
N86 | C87 | C88 | H39 | 120.2° | 119.9° |
C87 | N86 | C85 | H36 | 176.8° | 66.2° |
C87 | N86 | C85 | H37 | 57.2° | 173.4° |
N86 | C87 | H38 | H39 | 119.2° | 120.4° |
N86 | C87 | C88 | H40 | 105.7° | 65.4° |
N86 | C87 | C88 | H41 | 134.8° | 174.6° |
C93 | C98 | C94 | O99 | 118.4° | 120.0° |
C93 | C98 | C94 | C96 | 124.8° | 120.0° |
C93 | C98 | O99 | C96 | 120.0° | 120.0° |
C98 | C93 | H42 | H43 | 120.0° | 119.9° |
C98 | C93 | H42 | H44 | 120.0° | 120.0° |
C98 | C93 | H43 | H44 | 120.0° | 120.0° |
C93 | C98 | C94 | H45 | 180.0° | 60.0° |
C93 | C98 | C94 | H46 | 60.0° | 180.0° |
C93 | C98 | C94 | H47 | 60.0° | 60.0° |
C93 | C98 | C96 | H48 | 180.0° | 60.0° |
C93 | C98 | C96 | H49 | 60.0° | 180.0° |
C93 | C98 | C96 | H50 | 60.0° | 60.0° |
C94 | C98 | O99 | C96 | 119.6° | 120.0° |
C94 | C98 | C93 | H42 | 180.0° | 60.0° |
C94 | C98 | C93 | H43 | 60.0° | 180.0° |
C94 | C98 | C93 | H44 | 60.0° | 60.0° |
C98 | C94 | H45 | H46 | 120.0° | 120.0° |
C98 | C94 | H45 | H47 | 120.0° | 119.9° |
C98 | C94 | H46 | H47 | 120.0° | 120.0° |
C94 | C98 | C96 | H48 | 55.0° | 179.9° |
C94 | C98 | C96 | H49 | 175.0° | 60.0° |
C94 | C98 | C96 | H50 | 65.0° | 60.0° |
C80 | C82 | C88 | H33 | 118.4° | 119.9° |
C82 | C80 | C76 | H31 | 121.1° | 119.9° |
C82 | C80 | C76 | H32 | 121.1° | 120.0° |
C80 | C82 | C88 | C87 | 173.3° | 178.6° |
C82 | C80 | C76 | O78 | 81.7° | 0.1° |
C82 | C80 | C76 | N50 | 99.8° | 180.0° |
C82 | C80 | H31 | H32 | 116.4° | 120.0° |
C80 | C82 | C84 | H34 | 52.0° | 58.6° |
C80 | C82 | C84 | H35 | 67.3° | 61.4° |
C80 | C82 | C88 | H40 | 66.5° | 61.5° |
C80 | C82 | C88 | H41 | 53.1° | 58.7° |
C88 | C82 | C80 | C76 | 2.9° | 175.0° |
C82 | C88 | C87 | H40 | 120.2° | 120.0° |
C82 | C88 | C87 | H41 | 120.2° | 120.0° |
C88 | C82 | C80 | H31 | 118.2° | 65.0° |
C88 | C82 | C80 | H32 | 124.0° | 55.0° |
C88 | C82 | C84 | H34 | 74.2° | 178.7° |
C88 | C82 | C84 | H35 | 166.5° | 58.6° |
C82 | C88 | C87 | H38 | 105.7° | 174.4° |
C82 | C88 | C87 | H39 | 134.8° | 65.3° |
C82 | C88 | H40 | H41 | 119.3° | 120.1° |
C80 | C76 | O78 | N50 | 178.4° | 179.9° |
C80 | C76 | N50 | C49 | 1.1° | 0.0° |
C80 | C76 | N50 | C51 | 178.8° | 179.8° |
C76 | C80 | H31 | H32 | 116.5° | 120.1° |
C76 | C80 | C82 | H33 | 115.7° | 55.1° |
O99 | C98 | C93 | H42 | 62.4° | 59.9° |
O99 | C98 | C93 | H43 | 57.6° | 60.0° |
O99 | C98 | C93 | H44 | 177.6° | 180.0° |
O99 | C98 | C94 | H45 | 61.6° | 180.0° |
O99 | C98 | C94 | H46 | 178.4° | 60.0° |
O99 | C98 | C94 | H47 | 58.4° | 60.0° |
O99 | C98 | C96 | H48 | 61.7° | 60.0° |
O99 | C98 | C96 | H49 | 58.3° | 60.0° |
O99 | C98 | C96 | H50 | 178.3° | 180.0° |
C96 | C98 | C93 | H42 | 55.1° | 179.9° |
C96 | C98 | C93 | H43 | 175.1° | 60.0° |
C96 | C98 | C93 | H44 | 64.9° | 60.0° |
C96 | C98 | C94 | H45 | 55.2° | 60.0° |
C96 | C98 | C94 | H46 | 64.8° | 60.0° |
C96 | C98 | C94 | H47 | 175.2° | 180.0° |
C98 | C96 | H48 | H49 | 120.0° | 120.0° |
C98 | C96 | H48 | H50 | 120.0° | 120.0° |
C98 | C96 | H49 | H50 | 120.0° | 120.0° |
C87 | C88 | C82 | H33 | 54.9° | 58.7° |
C88 | C87 | H38 | H39 | 119.2° | 120.3° |
C87 | C88 | H40 | H41 | 119.3° | 120.0° |
O78 | C76 | N50 | C49 | 179.5° | 180.0° |
O78 | C76 | N50 | C51 | 0.4° | 0.2° |
O78 | C76 | C80 | H31 | 39.4° | 120.0° |
O78 | C76 | C80 | H32 | 157.1° | 119.9° |
C76 | N50 | C49 | C51 | 179.9° | 179.8° |
C76 | N50 | C49 | C48 | 121.0° | 115.5° |
C76 | N50 | C51 | C39 | 132.5° | 135.7° |
C76 | N50 | C49 | H15 | 0.5° | 4.2° |
C76 | N50 | C49 | H16 | 118.5° | 124.4° |
C76 | N50 | C51 | H17 | 107.7° | 104.9° |
C76 | N50 | C51 | H18 | 12.6° | 16.3° |
N50 | C76 | C80 | H31 | 139.1° | 60.1° |
N50 | C76 | C80 | H32 | 21.3° | 60.0° |
N50 | C49 | C48 | H15 | 120.6° | 119.8° |
N50 | C49 | C48 | H16 | 120.5° | 120.0° |
N50 | C49 | C48 | C40 | 35.2° | 45.4° |
C49 | N50 | C51 | C39 | 47.4° | 44.5° |
N50 | C49 | C48 | H13 | 84.9° | 74.4° |
N50 | C49 | C48 | H14 | 155.2° | 165.3° |
N50 | C49 | H15 | H16 | 118.3° | 120.1° |
C49 | N50 | C51 | H17 | 72.5° | 75.0° |
C49 | N50 | C51 | H18 | 167.3° | 163.9° |
C48 | C49 | N50 | C51 | 58.9° | 64.7° |
C49 | C48 | C40 | H13 | 120.1° | 119.9° |
C49 | C48 | C40 | H14 | 120.1° | 119.9° |
C49 | C48 | C40 | N41 | 171.6° | 162.1° |
C49 | C48 | C40 | C39 | 8.3° | 17.9° |
C49 | C48 | H13 | H14 | 119.7° | 120.4° |
C48 | C49 | H15 | H16 | 118.3° | 120.3° |
N50 | C51 | C39 | C40 | 18.2° | 11.4° |
N50 | C51 | C39 | H17 | 119.9° | 119.4° |
N50 | C51 | C39 | H18 | 119.9° | 119.4° |
N50 | C51 | C39 | C37 | 162.3° | 168.8° |
C51 | N50 | C49 | H15 | 179.4° | 175.6° |
C51 | N50 | C49 | H16 | 61.6° | 55.5° |
N50 | C51 | H17 | H18 | 120.3° | 121.1° |
C48 | C40 | N41 | C39 | 179.9° | 180.0° |
C48 | C40 | N41 | C57 | 0.4° | 0.2° |
C48 | C40 | C39 | C51 | 0.1° | 0.4° |
C48 | C40 | N41 | N42 | 180.0° | 179.5° |
C48 | C40 | C39 | C37 | 179.8° | 179.7° |
C40 | C48 | H13 | H14 | 119.7° | 120.2° |
C40 | C48 | C49 | H15 | 155.7° | 165.2° |
C40 | C48 | C49 | H16 | 85.4° | 74.5° |
C40 | N41 | C57 | N42 | 179.6° | 179.7° |
C40 | N41 | C57 | C59 | 119.2° | 89.9° |
N41 | C40 | C39 | C51 | 179.8° | 179.6° |
N41 | C40 | C39 | C37 | 0.2° | 0.3° |
C40 | N41 | N42 | C37 | 0.3° | 0.5° |
N41 | C40 | C48 | H13 | 68.3° | 78.0° |
N41 | C40 | C48 | H14 | 51.5° | 42.2° |
C40 | N41 | C57 | H19 | 120.5° | 30.1° |
C40 | N41 | C57 | H20 | 1.2° | 150.0° |
C39 | C40 | N41 | C57 | 179.5° | 179.8° |
C40 | C39 | C51 | C37 | 179.5° | 179.9° |
C39 | C40 | N41 | N42 | 0.1° | 0.5° |
C40 | C39 | C37 | N42 | 0.3° | 0.0° |
C40 | C39 | C37 | C1 | 179.5° | 179.8° |
C39 | C40 | C48 | H13 | 111.8° | 102.0° |
C39 | C40 | C48 | H14 | 128.4° | 137.8° |
C40 | C39 | C51 | H17 | 101.7° | 108.1° |
C40 | C39 | C51 | H18 | 138.1° | 130.8° |
N41 | C57 | C59 | H19 | 120.3° | 120.0° |
N41 | C57 | C59 | H20 | 120.3° | 120.1° |
C57 | N41 | N42 | C37 | 179.4° | 179.8° |
N41 | C57 | C59 | C61 | 80.1° | 180.0° |
N41 | C57 | H19 | H20 | 119.0° | 120.0° |
N41 | C57 | C59 | H21 | 40.8° | 60.0° |
N41 | C57 | C59 | H52 | 159.1° | 60.0° |
C59 | C57 | N41 | N42 | 60.4° | 89.7° |
C57 | C59 | C61 | H21 | 120.9° | 120.1° |
C57 | C59 | C61 | H52 | 120.8° | 120.0° |
C57 | C59 | C61 | N63 | 178.7° | 180.0° |
C59 | C57 | H19 | H20 | 119.0° | 120.0° |
C57 | C59 | H21 | H52 | 117.3° | 120.0° |
C57 | C59 | C61 | H22 | 57.8° | 60.0° |
C57 | C59 | C61 | H53 | 60.3° | 60.0° |
C51 | C39 | C37 | N42 | 179.9° | 179.9° |
C51 | C39 | C37 | C1 | 1.0° | 0.3° |
C39 | C51 | H17 | H18 | 120.4° | 121.1° |
N41 | N42 | C37 | C39 | 0.4° | 0.3° |
N41 | N42 | C37 | C1 | 179.6° | 179.9° |
N42 | N41 | C57 | H19 | 59.9° | 150.2° |
N42 | N41 | C57 | H20 | 179.2° | 30.3° |
C39 | C37 | N42 | C1 | 179.2° | 179.8° |
C39 | C37 | C1 | C6 | 133.6° | 35.1° |
C39 | C37 | C1 | C2 | 45.7° | 145.0° |
C37 | C39 | C51 | H17 | 77.8° | 71.8° |
C37 | C39 | C51 | H18 | 42.4° | 49.3° |
N42 | C37 | C1 | C6 | 45.5° | 144.7° |
N42 | C37 | C1 | C2 | 135.2° | 35.3° |
C37 | C1 | C6 | C2 | 179.4° | 180.0° |
C37 | C1 | C6 | C5 | 179.6° | 179.9° |
C37 | C1 | C2 | C3 | 179.2° | 179.8° |
C37 | C1 | C2 | H4 | 0.8° | 0.2° |
C37 | C1 | C6 | H5 | 0.4° | 0.1° |
C59 | C61 | N63 | H22 | 120.9° | 120.0° |
C59 | C61 | N63 | H53 | 120.9° | 120.0° |
C59 | C61 | N63 | C69 | 61.6° | 170.0° |
C59 | C61 | N63 | C65 | 61.6° | 66.3° |
C61 | C59 | C57 | H19 | 159.6° | 60.0° |
C61 | C59 | C57 | H20 | 40.3° | 59.9° |
C61 | C59 | H21 | H52 | 117.3° | 119.9° |
C59 | C61 | H22 | H53 | 117.2° | 120.0° |
C61 | N63 | C69 | C65 | 125.0° | 123.9° |
C61 | N63 | C69 | C68 | 163.4° | 177.6° |
C61 | N63 | C65 | C66 | 165.6° | 177.6° |
N63 | C61 | C59 | H21 | 60.4° | 60.0° |
N63 | C61 | H22 | H53 | 117.2° | 120.0° |
C61 | N63 | C65 | H23 | 45.5° | 62.5° |
C61 | N63 | C65 | H24 | 74.3° | 57.6° |
C61 | N63 | C69 | H29 | 43.3° | 57.6° |
C61 | N63 | C69 | H30 | 76.5° | 62.5° |
N63 | C61 | C59 | H52 | 57.9° | 60.0° |
C1 | C6 | C5 | H5 | 180.0° | 180.0° |
C1 | C6 | C5 | C4 | 0.0° | 0.0° |
C6 | C1 | C2 | C3 | 0.1° | 0.2° |
C1 | C6 | C5 | H3 | 180.0° | 179.8° |
C6 | C1 | C2 | H4 | 179.9° | 179.8° |
C5 | C6 | C1 | C2 | 0.2° | 0.0° |
C6 | C5 | C4 | H3 | 180.0° | 179.8° |
C6 | C5 | C4 | C3 | 0.5° | 0.3° |
C6 | C5 | C4 | C13 | 179.6° | 179.8° |
C1 | C2 | C3 | H4 | 180.0° | 179.6° |
C1 | C2 | C3 | C4 | 0.6° | 0.5° |
C1 | C2 | C3 | C21 | 179.5° | 180.0° |
C2 | C1 | C6 | H5 | 179.8° | 180.0° |
N63 | C69 | C68 | H29 | 120.1° | 120.0° |
N63 | C69 | C68 | H30 | 120.1° | 119.9° |
C69 | N63 | C65 | C66 | 69.1° | 58.6° |
N63 | C69 | C68 | O67 | 25.3° | 56.8° |
C69 | N63 | C61 | H22 | 59.3° | 70.0° |
C69 | N63 | C65 | H23 | 170.8° | 61.4° |
C69 | N63 | C65 | H24 | 50.9° | 178.6° |
N63 | C69 | C68 | H27 | 95.2° | 176.8° |
N63 | C69 | C68 | H28 | 145.7° | 63.2° |
N63 | C69 | H29 | H30 | 119.6° | 120.0° |
C69 | N63 | C61 | H53 | 177.5° | 49.9° |
C68 | C69 | N63 | C65 | 38.4° | 58.5° |
C69 | C68 | O67 | H27 | 120.4° | 120.0° |
C69 | C68 | O67 | H28 | 120.4° | 120.0° |
C69 | C68 | O67 | C66 | 63.7° | 58.7° |
C69 | C68 | H27 | H28 | 118.8° | 120.1° |
C68 | C69 | H29 | H30 | 119.7° | 120.2° |
C5 | C4 | C3 | C2 | 0.8° | 0.5° |
C5 | C4 | C3 | C13 | 179.1° | 179.9° |
C5 | C4 | C3 | C21 | 179.6° | 180.0° |
C5 | C4 | C13 | F19 | 118.0° | 120.0° |
C5 | C4 | C13 | F17 | 0.5° | 120.0° |
C5 | C4 | C13 | F15 | 119.6° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C2 | C3 | C4 | C21 | 178.8° | 179.5° |
C2 | C3 | C4 | C13 | 179.9° | 179.5° |
C2 | C3 | C21 | N23 | 65.1° | 100.0° |
C2 | C3 | C21 | H1 | 54.7° | 20.0° |
C2 | C3 | C21 | H2 | 175.1° | 140.0° |
N63 | C65 | C66 | H23 | 120.1° | 119.9° |
N63 | C65 | C66 | H24 | 120.0° | 120.0° |
N63 | C65 | C66 | O67 | 31.0° | 56.8° |
C65 | N63 | C61 | H22 | 177.5° | 53.7° |
N63 | C65 | H23 | H24 | 119.8° | 120.1° |
N63 | C65 | C66 | H25 | 89.3° | 63.1° |
N63 | C65 | C66 | H26 | 151.4° | 176.8° |
C65 | N63 | C69 | H29 | 81.7° | 178.5° |
C65 | N63 | C69 | H30 | 158.5° | 61.4° |
C65 | N63 | C61 | H53 | 59.3° | 173.6° |
C3 | C4 | C13 | F19 | 61.1° | 60.0° |
C3 | C4 | C13 | F17 | 178.6° | 59.9° |
C3 | C4 | C13 | F15 | 61.3° | 179.9° |
C4 | C3 | C21 | N23 | 113.7° | 80.5° |
C4 | C3 | C21 | H1 | 126.5° | 159.5° |
C4 | C3 | C21 | H2 | 6.1° | 39.5° |
C3 | C4 | C5 | H3 | 179.5° | 180.0° |
C4 | C3 | C2 | H4 | 179.4° | 179.9° |
C13 | C4 | C3 | C21 | 1.3° | 0.0° |
C4 | C13 | F19 | F17 | 121.4° | 119.9° |
C4 | C13 | F19 | F15 | 125.0° | 120.0° |
C4 | C13 | F17 | F15 | 124.0° | 120.0° |
C13 | C4 | C5 | H3 | 0.4° | 0.0° |
C3 | C21 | N23 | H1 | 119.8° | 120.0° |
C3 | C21 | N23 | H2 | 119.8° | 120.0° |
C3 | C21 | N23 | C25 | 115.1° | 180.0° |
C3 | C21 | H1 | H2 | 120.7° | 120.0° |
C21 | C3 | C2 | H4 | 0.5° | 0.5° |
C3 | C21 | N23 | H51 | 64.9° | 0.0° |
C65 | C66 | O67 | C68 | 32.8° | 58.7° |
C65 | C66 | O67 | H25 | 120.3° | 119.9° |
C65 | C66 | O67 | H26 | 120.3° | 120.0° |
C66 | C65 | H23 | H24 | 119.9° | 120.1° |
C65 | C66 | H25 | H26 | 119.0° | 120.2° |
C68 | O67 | C66 | H25 | 153.2° | 61.2° |
C68 | O67 | C66 | H26 | 87.5° | 178.7° |
O67 | C68 | H27 | H28 | 118.8° | 120.1° |
O67 | C68 | C69 | H29 | 145.4° | 176.8° |
O67 | C68 | C69 | H30 | 94.9° | 63.0° |
F19 | C13 | F17 | F15 | 115.0° | 120.0° |
C21 | N23 | C25 | O27 | 0.2° | 0.0° |
C21 | N23 | C25 | H51 | 180.0° | 180.0° |
C21 | N23 | C25 | C29 | 178.9° | 180.0° |
N23 | C21 | H1 | H2 | 120.7° | 120.0° |
O27 | C25 | N23 | C29 | 179.1° | 180.0° |
O27 | C25 | C29 | C31 | 49.2° | 3.2° |
O27 | C25 | C29 | H6 | 130.8° | 176.7° |
O27 | C25 | N23 | H51 | 179.8° | 180.0° |
O67 | C66 | C65 | H23 | 151.1° | 63.1° |
O67 | C66 | C65 | H24 | 89.0° | 176.8° |
O67 | C66 | H25 | H26 | 119.0° | 120.1° |
C66 | O67 | C68 | H27 | 56.7° | 178.7° |
C66 | O67 | C68 | H28 | 175.9° | 61.3° |
N23 | C25 | C29 | C31 | 131.7° | 176.8° |
C25 | N23 | C21 | H1 | 4.6° | 60.0° |
C25 | N23 | C21 | H2 | 125.1° | 60.0° |
N23 | C25 | C29 | H6 | 48.3° | 3.3° |
C25 | C29 | C31 | H6 | 180.0° | 180.0° |
C25 | C29 | C31 | C35 | 0.7° | 8.4° |
C25 | C29 | C31 | C33 | 179.4° | 171.7° |
C29 | C25 | N23 | H51 | 1.1° | 0.0° |
C29 | C31 | C35 | C33 | 179.9° | 180.0° |
C29 | C31 | C33 | H7 | 180.0° | 90.0° |
C29 | C31 | C33 | H8 | 60.0° | 30.0° |
C29 | C31 | C33 | H9 | 60.0° | 150.0° |
C29 | C31 | C35 | H10 | 180.0° | 84.2° |
C29 | C31 | C35 | H11 | 60.0° | 35.9° |
C29 | C31 | C35 | H12 | 60.0° | 155.9° |
C35 | C31 | C29 | H6 | 179.3° | 171.7° |
C35 | C31 | C33 | H7 | 0.1° | 90.0° |
C35 | C31 | C33 | H8 | 119.9° | 150.0° |
C35 | C31 | C33 | H9 | 120.1° | 30.0° |
C31 | C35 | H10 | H11 | 120.0° | 120.0° |
C31 | C35 | H10 | H12 | 120.0° | 119.9° |
C31 | C35 | H11 | H12 | 120.0° | 119.9° |
C33 | C31 | C29 | H6 | 0.6° | 8.3° |
C31 | C33 | H7 | H8 | 120.0° | 120.0° |
C31 | C33 | H7 | H9 | 120.0° | 120.0° |
C31 | C33 | H8 | H9 | 120.0° | 120.0° |
C33 | C31 | C35 | H10 | 0.1° | 95.8° |
C33 | C31 | C35 | H11 | 120.1° | 144.1° |
C33 | C31 | C35 | H12 | 119.9° | 24.1° |
H1 | C21 | N23 | H51 | 175.3° | 120.0° |
H2 | C21 | N23 | H51 | 54.9° | 120.0° |
H3 | C5 | C6 | H5 | 0.0° | 0.3° |
H7 | C33 | H8 | H9 | 120.0° | 120.0° |
H10 | C35 | H11 | H12 | 120.0° | 120.0° |
H13 | C48 | C49 | H15 | 35.6° | 45.4° |
H13 | C48 | C49 | H16 | 154.5° | 165.6° |
H14 | C48 | C49 | H15 | 84.2° | 74.9° |
H14 | C48 | C49 | H16 | 34.7° | 45.3° |
H19 | C57 | C59 | H21 | 79.6° | 60.0° |
H19 | C57 | C59 | H52 | 38.7° | 179.9° |
H20 | C57 | C59 | H21 | 161.1° | 180.0° |
H20 | C57 | C59 | H52 | 80.6° | 60.0° |
H21 | C59 | C61 | H22 | 178.7° | 180.0° |
H21 | C59 | C61 | H53 | 60.5° | 60.0° |
H22 | C61 | C59 | H52 | 63.0° | 60.0° |
H23 | C65 | C66 | H25 | 30.8° | 177.0° |
H23 | C65 | C66 | H26 | 88.5° | 56.9° |
H24 | C65 | C66 | H25 | 150.7° | 56.9° |
H24 | C65 | C66 | H26 | 31.4° | 63.2° |
H27 | C68 | C69 | H29 | 24.9° | 63.2° |
H27 | C68 | C69 | H30 | 144.7° | 56.9° |
H28 | C68 | C69 | H29 | 94.2° | 56.8° |
H28 | C68 | C69 | H30 | 25.5° | 177.0° |
H31 | C80 | C82 | H33 | 123.2° | 175.0° |
H32 | C80 | C82 | H33 | 5.5° | 64.9° |
H33 | C82 | C84 | H34 | 169.3° | 61.3° |
H33 | C82 | C84 | H35 | 50.0° | 178.6° |
H33 | C82 | C88 | H40 | 175.2° | 178.6° |
H33 | C82 | C88 | H41 | 65.3° | 61.3° |
H34 | C84 | C85 | H36 | 105.6° | 54.9° |
H34 | C84 | C85 | H37 | 14.0° | 65.6° |
H35 | C84 | C85 | H36 | 13.7° | 174.9° |
H35 | C84 | C85 | H37 | 133.3° | 54.5° |
H38 | C87 | C88 | H40 | 134.0° | 54.5° |
H38 | C87 | C88 | H41 | 14.5° | 65.6° |
H39 | C87 | C88 | H40 | 14.6° | 174.8° |
H39 | C87 | C88 | H41 | 105.0° | 54.7° |
H42 | C93 | H43 | H44 | 120.0° | 120.1° |
H45 | C94 | H46 | H47 | 120.0° | 120.0° |
H48 | C96 | H49 | H50 | 120.0° | 120.0° |
H52 | C59 | C61 | H53 | 178.8° | 180.0° |