MJC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C44 | C43 | sing | 1.51Å | 1.53Å | |
C43 | C45 | sing | 1.51Å | 1.55Å | |
C43 | C42 | doub | 1.31Å | 1.57Å | |
C45 | C46 | sing | 1.53Å | 1.55Å | |
C46 | C47 | sing | 1.51Å | 1.54Å | |
C49 | C48 | sing | 1.51Å | 1.51Å | |
C42 | C41 | sing | 1.51Å | 1.59Å | |
C47 | C48 | doub | 1.31Å | 1.51Å | |
C48 | C50 | sing | 1.51Å | 1.54Å | |
C41 | C40 | sing | 1.53Å | 1.55Å | |
C39 | C38 | sing | 1.51Å | 1.51Å | |
C40 | C38 | sing | 1.51Å | 1.55Å | |
C50 | C51 | sing | 1.53Å | 1.55Å | |
C51 | C52 | sing | 1.51Å | 1.54Å | |
C38 | C37 | doub | 1.31Å | 1.55Å | |
C52 | C53 | doub | 1.31Å | 1.57Å | |
C37 | C36 | sing | 1.51Å | 1.55Å | |
C9 | C8 | sing | 1.51Å | 1.52Å | |
C6 | C7 | sing | 1.51Å | 1.57Å | |
C6 | C5 | sing | 1.53Å | 1.57Å | |
C36 | C35 | sing | 1.53Å | 1.56Å | |
C53 | C55 | sing | 1.51Å | 1.56Å | |
C53 | C54 | sing | 1.51Å | 1.56Å | |
C34 | C33 | sing | 1.51Å | 1.51Å | |
C7 | C8 | doub | 1.31Å | 1.51Å | |
C5 | C3 | sing | 1.53Å | 1.53Å | |
C8 | C10 | sing | 1.51Å | 1.51Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | C1 | sing | 1.53Å | 1.54Å | |
C3 | C4 | sing | 1.53Å | 1.51Å | |
C35 | C33 | sing | 1.51Å | 1.55Å | |
C33 | C32 | doub | 1.31Å | 1.57Å | |
C11 | C10 | sing | 1.53Å | 1.56Å | |
C11 | C12 | sing | 1.51Å | 1.57Å | |
C1 | OP | sing | 1.43Å | 1.42Å | |
C15 | C13 | sing | 1.51Å | 1.56Å | |
C15 | C16 | sing | 1.53Å | 1.55Å | |
C32 | C31 | sing | 1.51Å | 1.55Å | |
OP | P | sing | 1.61Å | 1.61Å | |
C14 | C13 | sing | 1.51Å | 1.54Å | |
C31 | C30 | sing | 1.53Å | 1.58Å | |
C30 | C28 | sing | 1.51Å | 1.59Å | |
C12 | C13 | doub | 1.31Å | 1.60Å | |
C6' | O6' | sing | 1.43Å | 1.42Å | |
C6' | C5' | sing | 1.53Å | 1.52Å | |
C29 | C28 | sing | 1.51Å | 1.55Å | |
C16 | C17 | sing | 1.51Å | 1.56Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
O5' | C1' | sing | 1.43Å | 1.42Å | |
O1' | P | sing | 1.61Å | 1.60Å | |
O1' | C1' | sing | 1.43Å | 1.42Å | |
O2' | C2' | sing | 1.43Å | 1.41Å | |
C17 | C18 | doub | 1.31Å | 1.58Å | |
P | OP2 | doub | 1.48Å | 1.52Å | |
P | OP3 | sing | 1.61Å | 1.50Å | |
C28 | C27 | doub | 1.31Å | 1.57Å | |
C5' | C4' | sing | 1.53Å | 1.55Å | |
C1' | C2' | sing | 1.53Å | 1.54Å | |
C4' | O4' | sing | 1.43Å | 1.38Å | |
C4' | C3' | sing | 1.53Å | 1.54Å | |
C2' | C3' | sing | 1.53Å | 1.52Å | |
C27 | C26 | sing | 1.51Å | 1.59Å | |
C18 | C20 | sing | 1.51Å | 1.52Å | |
C18 | C19 | sing | 1.51Å | 1.55Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C26 | C25 | sing | 1.53Å | 1.59Å | |
C22 | C21 | sing | 1.51Å | 1.55Å | |
C22 | C23 | doub | 1.31Å | 1.54Å | |
C25 | C23 | sing | 1.51Å | 1.56Å | |
C23 | C24 | sing | 1.51Å | 1.56Å | |
C3 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.08Å | 1.08Å | |
C31 | H14 | sing | 1.09Å | 1.10Å | |
C31 | H15 | sing | 1.09Å | 1.10Å | |
C12 | H16 | sing | 1.08Å | 1.08Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C14 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C17 | H23 | sing | 1.08Å | 1.08Å | |
C19 | H26 | sing | 1.09Å | 1.10Å | |
C19 | H27 | sing | 1.09Å | 1.10Å | |
C19 | H28 | sing | 1.09Å | 1.10Å | |
C20 | H29 | sing | 1.09Å | 1.10Å | |
C20 | H30 | sing | 1.09Å | 1.10Å | |
C22 | H31 | sing | 1.08Å | 1.08Å | |
C29 | H35 | sing | 1.09Å | 1.10Å | |
C29 | H36 | sing | 1.09Å | 1.10Å | |
C29 | H37 | sing | 1.09Å | 1.10Å | |
C30 | H38 | sing | 1.09Å | 1.10Å | |
C30 | H39 | sing | 1.09Å | 1.10Å | |
C11 | H40 | sing | 1.09Å | 1.10Å | |
C11 | H41 | sing | 1.09Å | 1.10Å | |
C1' | H42 | sing | 1.09Å | 1.10Å | |
C2' | H43 | sing | 1.09Å | 1.10Å | |
C3' | H44 | sing | 1.09Å | 1.10Å | |
C4' | H45 | sing | 1.09Å | 1.10Å | |
C5' | H46 | sing | 1.09Å | 1.10Å | |
C6' | H47 | sing | 1.09Å | 1.10Å | |
C6' | H48 | sing | 1.09Å | 1.10Å | |
O2' | H49 | sing | 0.97Å | 0.95Å | |
O3' | H50 | sing | 0.97Å | 0.95Å | |
O4' | H51 | sing | 0.97Å | 0.95Å | |
O6' | H52 | sing | 0.97Å | 0.95Å | |
OP3 | H53 | sing | 0.97Å | 0.95Å | |
C1 | H54 | sing | 1.09Å | 1.10Å | |
C1 | H55 | sing | 1.09Å | 1.10Å | |
C4 | H56 | sing | 1.09Å | 1.10Å | |
C4 | H57 | sing | 1.09Å | 1.10Å | |
C4 | H58 | sing | 1.09Å | 1.10Å | |
C10 | H59 | sing | 1.09Å | 1.10Å | |
C10 | H60 | sing | 1.09Å | 1.10Å | |
C15 | H62 | sing | 1.09Å | 1.10Å | |
C15 | H63 | sing | 1.09Å | 1.10Å | |
C21 | H64 | sing | 1.09Å | 1.10Å | |
C21 | H65 | sing | 1.09Å | 1.10Å | |
C24 | H66 | sing | 1.09Å | 1.10Å | |
C24 | H67 | sing | 1.09Å | 1.10Å | |
C24 | H68 | sing | 1.09Å | 1.10Å | |
C25 | H69 | sing | 1.09Å | 1.10Å | |
C25 | H70 | sing | 1.09Å | 1.10Å | |
C26 | H71 | sing | 1.09Å | 1.10Å | |
C26 | H72 | sing | 1.09Å | 1.10Å | |
C27 | H73 | sing | 1.08Å | 1.08Å | |
C32 | H75 | sing | 1.08Å | 1.08Å | |
C34 | H78 | sing | 1.09Å | 1.10Å | |
C34 | H79 | sing | 1.09Å | 1.10Å | |
C34 | H80 | sing | 1.09Å | 1.10Å | |
C35 | H81 | sing | 1.09Å | 1.10Å | |
C35 | H82 | sing | 1.09Å | 1.10Å | |
C36 | H83 | sing | 1.09Å | 1.10Å | |
C36 | H84 | sing | 1.09Å | 1.10Å | |
C37 | H85 | sing | 1.08Å | 1.08Å | |
C39 | H88 | sing | 1.09Å | 1.10Å | |
C39 | H89 | sing | 1.09Å | 1.10Å | |
C39 | H90 | sing | 1.09Å | 1.10Å | |
C40 | H91 | sing | 1.09Å | 1.10Å | |
C40 | H92 | sing | 1.09Å | 1.10Å | |
C41 | H93 | sing | 1.09Å | 1.10Å | |
C41 | H94 | sing | 1.09Å | 1.10Å | |
C42 | H95 | sing | 1.08Å | 1.08Å | |
C44 | H98 | sing | 1.09Å | 1.10Å | |
C44 | H99 | sing | 1.09Å | 1.10Å | |
C44 | H100 | sing | 1.09Å | 1.10Å | |
C45 | H101 | sing | 1.09Å | 1.10Å | |
C45 | H102 | sing | 1.09Å | 1.10Å | |
C46 | H103 | sing | 1.09Å | 1.10Å | |
C46 | H104 | sing | 1.09Å | 1.10Å | |
C47 | H105 | sing | 1.08Å | 1.08Å | |
C49 | H108 | sing | 1.09Å | 1.10Å | |
C49 | H109 | sing | 1.09Å | 1.10Å | |
C49 | H110 | sing | 1.09Å | 1.10Å | |
C50 | H111 | sing | 1.09Å | 1.10Å | |
C50 | H112 | sing | 1.09Å | 1.10Å | |
C51 | H113 | sing | 1.09Å | 1.10Å | |
C51 | H114 | sing | 1.09Å | 1.10Å | |
C52 | H115 | sing | 1.08Å | 1.08Å | |
C54 | H118 | sing | 1.09Å | 1.10Å | |
C54 | H119 | sing | 1.09Å | 1.10Å | |
C54 | H120 | sing | 1.09Å | 1.10Å | |
C55 | H121 | sing | 1.09Å | 1.10Å | |
C55 | H122 | sing | 1.09Å | 1.10Å | |
C55 | H123 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C44 | C43 | C45 | 113.9° | 120.0° |
C44 | C43 | C42 | 110.0° | 120.0° |
C43 | C44 | H98 | 109.5° | 109.5° |
C43 | C44 | H99 | 109.5° | 109.4° |
C43 | C44 | H100 | 109.4° | 109.5° |
C45 | C43 | C42 | 113.1° | 120.0° |
C43 | C45 | C46 | 113.2° | 109.5° |
C43 | C45 | H101 | 108.5° | 109.5° |
C43 | C45 | H102 | 108.5° | 109.4° |
C43 | C42 | C41 | 111.3° | 120.0° |
C43 | C42 | H95 | 124.3° | 120.0° |
C45 | C46 | C47 | 114.4° | 109.5° |
C46 | C45 | H101 | 108.5° | 109.5° |
C46 | C45 | H102 | 108.5° | 109.5° |
C45 | C46 | H103 | 108.2° | 109.4° |
C45 | C46 | H104 | 108.2° | 109.4° |
C46 | C47 | C48 | 112.8° | 120.0° |
C47 | C46 | H103 | 108.2° | 109.5° |
C47 | C46 | H104 | 108.2° | 109.5° |
C46 | C47 | H105 | 123.6° | 120.0° |
C49 | C48 | C47 | 111.8° | 120.0° |
C49 | C48 | C50 | 111.2° | 120.0° |
C48 | C49 | H108 | 109.5° | 109.4° |
C48 | C49 | H109 | 109.4° | 109.5° |
C48 | C49 | H110 | 109.5° | 109.5° |
C42 | C41 | C40 | 115.4° | 109.5° |
C42 | C41 | H93 | 108.0° | 109.5° |
C42 | C41 | H94 | 108.0° | 109.4° |
C41 | C42 | H95 | 124.4° | 120.0° |
C47 | C48 | C50 | 110.3° | 120.0° |
C48 | C47 | H105 | 123.6° | 120.0° |
C48 | C50 | C51 | 114.9° | 109.5° |
C48 | C50 | H111 | 108.1° | 109.4° |
C48 | C50 | H112 | 108.1° | 109.5° |
C41 | C40 | C38 | 110.7° | 109.5° |
C41 | C40 | H91 | 109.2° | 109.5° |
C41 | C40 | H92 | 109.2° | 109.4° |
C40 | C41 | H93 | 108.0° | 109.5° |
C40 | C41 | H94 | 108.0° | 109.4° |
C39 | C38 | C40 | 110.9° | 120.0° |
C39 | C38 | C37 | 112.5° | 120.0° |
C38 | C39 | H88 | 109.5° | 109.5° |
C38 | C39 | H89 | 109.5° | 109.4° |
C38 | C39 | H90 | 109.5° | 109.5° |
C40 | C38 | C37 | 113.8° | 120.0° |
C38 | C40 | H91 | 109.2° | 109.4° |
C38 | C40 | H92 | 109.2° | 109.5° |
C50 | C51 | C52 | 111.7° | 109.5° |
C51 | C50 | H111 | 108.1° | 109.5° |
C51 | C50 | H112 | 108.1° | 109.5° |
C50 | C51 | H113 | 108.9° | 109.5° |
C50 | C51 | H114 | 108.9° | 109.5° |
C51 | C52 | C53 | 112.1° | 120.0° |
C52 | C51 | H113 | 108.9° | 109.4° |
C52 | C51 | H114 | 108.9° | 109.5° |
C51 | C52 | H115 | 124.0° | 119.9° |
C38 | C37 | C36 | 112.4° | 120.0° |
C38 | C37 | H85 | 123.8° | 120.0° |
C52 | C53 | C55 | 110.6° | 120.0° |
C52 | C53 | C54 | 114.5° | 120.0° |
C53 | C52 | H115 | 123.9° | 120.0° |
C37 | C36 | C35 | 113.4° | 109.4° |
C37 | C36 | H83 | 108.5° | 109.5° |
C37 | C36 | H84 | 108.5° | 109.5° |
C36 | C37 | H85 | 123.8° | 120.0° |
C9 | C8 | C7 | 113.1° | 120.0° |
C9 | C8 | C10 | 117.2° | 120.0° |
C8 | C9 | H8 | 109.5° | 109.5° |
C8 | C9 | H9 | 109.5° | 109.5° |
C8 | C9 | H10 | 109.5° | 109.5° |
C7 | C6 | C5 | 112.8° | 109.5° |
C6 | C7 | C8 | 113.7° | 120.0° |
C7 | C6 | H6 | 108.6° | 109.5° |
C7 | C6 | H7 | 108.6° | 109.5° |
C6 | C7 | H12 | 123.1° | 120.0° |
C6 | C5 | C3 | 114.4° | 109.5° |
C6 | C5 | H4 | 108.3° | 109.4° |
C6 | C5 | H5 | 108.2° | 109.5° |
C5 | C6 | H6 | 108.6° | 109.4° |
C5 | C6 | H7 | 108.6° | 109.5° |
C36 | C35 | C33 | 112.5° | 109.5° |
C36 | C35 | H81 | 108.7° | 109.5° |
C36 | C35 | H82 | 108.7° | 109.5° |
C35 | C36 | H83 | 108.5° | 109.4° |
C35 | C36 | H84 | 108.5° | 109.5° |
C55 | C53 | C54 | 115.4° | 120.0° |
C53 | C55 | H121 | 109.5° | 109.5° |
C53 | C55 | H122 | 109.5° | 109.5° |
C53 | C55 | H123 | 109.5° | 109.5° |
C53 | C54 | H118 | 109.5° | 109.5° |
C53 | C54 | H119 | 109.4° | 109.5° |
C53 | C54 | H120 | 109.5° | 109.4° |
C34 | C33 | C35 | 110.5° | 120.0° |
C34 | C33 | C32 | 110.9° | 120.0° |
C33 | C34 | H78 | 109.5° | 109.5° |
C33 | C34 | H79 | 109.5° | 109.5° |
C33 | C34 | H80 | 109.5° | 109.4° |
C7 | C8 | C10 | 110.5° | 120.0° |
C8 | C7 | H12 | 123.1° | 120.0° |
C5 | C3 | C2 | 109.3° | 109.4° |
C5 | C3 | C4 | 108.5° | 109.5° |
C5 | C3 | H1 | 109.5° | 109.5° |
C3 | C5 | H4 | 108.2° | 109.5° |
C3 | C5 | H5 | 108.2° | 109.5° |
C8 | C10 | C11 | 120.2° | 109.5° |
C8 | C10 | H59 | 106.7° | 109.5° |
C8 | C10 | H60 | 106.7° | 109.5° |
C3 | C2 | C1 | 114.1° | 109.4° |
C2 | C3 | C4 | 110.4° | 109.5° |
C2 | C3 | H1 | 109.5° | 109.5° |
C3 | C2 | H2 | 108.3° | 109.5° |
C3 | C2 | H3 | 108.3° | 109.5° |
C2 | C1 | OP | 112.7° | 109.5° |
C1 | C2 | H2 | 108.3° | 109.5° |
C1 | C2 | H3 | 108.3° | 109.5° |
C2 | C1 | H54 | 108.6° | 109.5° |
C2 | C1 | H55 | 108.7° | 109.5° |
C4 | C3 | H1 | 109.7° | 109.4° |
C3 | C4 | H56 | 109.5° | 109.5° |
C3 | C4 | H57 | 109.5° | 109.5° |
C3 | C4 | H58 | 109.4° | 109.4° |
C35 | C33 | C32 | 112.7° | 120.0° |
C33 | C35 | H81 | 108.7° | 109.4° |
C33 | C35 | H82 | 108.7° | 109.5° |
C33 | C32 | C31 | 114.2° | 120.0° |
C33 | C32 | H75 | 122.9° | 120.0° |
C10 | C11 | C12 | 110.1° | 109.5° |
C10 | C11 | H40 | 109.3° | 109.5° |
C10 | C11 | H41 | 109.3° | 109.5° |
C11 | C10 | H59 | 106.7° | 109.5° |
C11 | C10 | H60 | 106.7° | 109.5° |
C11 | C12 | C13 | 115.7° | 120.0° |
C11 | C12 | H16 | 122.2° | 120.0° |
C12 | C11 | H40 | 109.3° | 109.5° |
C12 | C11 | H41 | 109.3° | 109.4° |
C1 | OP | P | 116.4° | 123.0° |
OP | C1 | H54 | 108.7° | 109.4° |
OP | C1 | H55 | 108.7° | 109.5° |
C13 | C15 | C16 | 115.5° | 109.5° |
C15 | C13 | C14 | 111.9° | 120.0° |
C15 | C13 | C12 | 114.3° | 120.0° |
C13 | C15 | H62 | 107.9° | 109.5° |
C13 | C15 | H63 | 108.0° | 109.5° |
C15 | C16 | C17 | 116.4° | 109.5° |
C15 | C16 | H21 | 107.7° | 109.5° |
C15 | C16 | H22 | 107.7° | 109.4° |
C16 | C15 | H62 | 107.9° | 109.5° |
C16 | C15 | H63 | 108.0° | 109.5° |
C32 | C31 | C30 | 114.2° | 109.5° |
C32 | C31 | H14 | 108.3° | 109.5° |
C32 | C31 | H15 | 108.3° | 109.4° |
C31 | C32 | H75 | 122.9° | 120.0° |
OP | P | O1' | 108.3° | 109.5° |
OP | P | OP2 | 111.7° | 109.5° |
OP | P | OP3 | 111.1° | 109.5° |
C14 | C13 | C12 | 111.9° | 120.0° |
C13 | C14 | H18 | 109.5° | 109.5° |
C13 | C14 | H19 | 109.5° | 109.5° |
C13 | C14 | H20 | 109.5° | 109.5° |
C31 | C30 | C28 | 113.6° | 109.5° |
C30 | C31 | H14 | 108.3° | 109.5° |
C30 | C31 | H15 | 108.2° | 109.5° |
C31 | C30 | H38 | 108.4° | 109.5° |
C31 | C30 | H39 | 108.4° | 109.4° |
C30 | C28 | C29 | 112.3° | 120.0° |
C30 | C28 | C27 | 112.8° | 120.0° |
C28 | C30 | H38 | 108.4° | 109.5° |
C28 | C30 | H39 | 108.4° | 109.5° |
C13 | C12 | H16 | 122.2° | 120.0° |
O6' | C6' | C5' | 107.1° | 109.5° |
O6' | C6' | H47 | 110.1° | 109.5° |
O6' | C6' | H48 | 110.1° | 109.5° |
C6' | O6' | H52 | 109.5° | 114.0° |
C6' | C5' | O5' | 110.3° | 109.5° |
C6' | C5' | C4' | 111.9° | 109.5° |
C6' | C5' | H46 | 107.6° | 109.5° |
C5' | C6' | H47 | 110.0° | 109.4° |
C5' | C6' | H48 | 110.1° | 109.4° |
C29 | C28 | C27 | 112.5° | 120.0° |
C28 | C29 | H35 | 109.5° | 109.5° |
C28 | C29 | H36 | 109.5° | 109.5° |
C28 | C29 | H37 | 109.5° | 109.4° |
C16 | C17 | C18 | 112.4° | 120.0° |
C17 | C16 | H21 | 107.7° | 109.5° |
C17 | C16 | H22 | 107.7° | 109.5° |
C16 | C17 | H23 | 123.8° | 120.0° |
C5' | O5' | C1' | 108.6° | 114.1° |
O5' | C5' | C4' | 111.2° | 109.4° |
O5' | C5' | H46 | 108.6° | 109.5° |
O5' | C1' | O1' | 111.7° | 109.5° |
O5' | C1' | C2' | 110.8° | 109.4° |
O5' | C1' | H42 | 107.1° | 109.5° |
P | O1' | C1' | 117.5° | 123.0° |
O1' | P | OP2 | 108.1° | 109.5° |
O1' | P | OP3 | 109.2° | 109.4° |
O1' | C1' | C2' | 113.9° | 109.5° |
O1' | C1' | H42 | 107.1° | 109.5° |
O2' | C2' | C1' | 110.7° | 109.5° |
O2' | C2' | C3' | 106.8° | 109.5° |
O2' | C2' | H43 | 111.7° | 109.5° |
C2' | O2' | H49 | 109.5° | 114.0° |
C17 | C18 | C20 | 114.5° | 120.0° |
C17 | C18 | C19 | 111.5° | 120.0° |
C18 | C17 | H23 | 123.8° | 120.1° |
OP2 | P | OP3 | 108.4° | 109.4° |
P | OP3 | H53 | 109.5° | 114.0° |
C28 | C27 | C26 | 113.5° | 120.0° |
C28 | C27 | H73 | 123.2° | 120.0° |
C5' | C4' | O4' | 108.6° | 109.5° |
C5' | C4' | C3' | 110.0° | 109.2° |
C5' | C4' | H45 | 109.1° | 109.6° |
C4' | C5' | H46 | 107.2° | 109.5° |
C1' | C2' | C3' | 107.4° | 109.2° |
C2' | C1' | H42 | 105.7° | 109.5° |
C1' | C2' | H43 | 109.8° | 109.5° |
O4' | C4' | C3' | 108.2° | 109.5° |
O4' | C4' | H45 | 111.6° | 109.5° |
C4' | O4' | H51 | 109.5° | 114.0° |
C4' | C3' | C2' | 108.1° | 109.0° |
C4' | C3' | O3' | 112.1° | 109.6° |
C4' | C3' | H44 | 108.2° | 109.6° |
C3' | C4' | H45 | 109.3° | 109.5° |
C2' | C3' | O3' | 110.1° | 109.5° |
C3' | C2' | H43 | 110.2° | 109.5° |
C2' | C3' | H44 | 108.5° | 109.6° |
C27 | C26 | C25 | 115.8° | 109.5° |
C27 | C26 | H71 | 107.9° | 109.5° |
C27 | C26 | H72 | 107.9° | 109.5° |
C26 | C27 | H73 | 123.3° | 120.0° |
C20 | C18 | C19 | 109.9° | 120.1° |
C18 | C20 | C21 | 110.1° | 109.4° |
C18 | C20 | H29 | 109.3° | 109.4° |
C18 | C20 | H30 | 109.3° | 109.5° |
C18 | C19 | H26 | 109.5° | 109.5° |
C18 | C19 | H27 | 109.5° | 109.4° |
C18 | C19 | H28 | 109.5° | 109.5° |
C20 | C21 | C22 | 112.9° | 109.5° |
C21 | C20 | H29 | 109.3° | 109.5° |
C21 | C20 | H30 | 109.3° | 109.5° |
C20 | C21 | H64 | 108.6° | 109.5° |
C20 | C21 | H65 | 108.6° | 109.5° |
O3' | C3' | H44 | 109.8° | 109.5° |
C3' | O3' | H50 | 109.5° | 114.0° |
C26 | C25 | C23 | 114.6° | 109.5° |
C26 | C25 | H69 | 108.2° | 109.5° |
C26 | C25 | H70 | 108.2° | 109.4° |
C25 | C26 | H71 | 107.9° | 109.4° |
C25 | C26 | H72 | 107.9° | 109.4° |
C21 | C22 | C23 | 115.2° | 120.0° |
C21 | C22 | H31 | 122.4° | 120.0° |
C22 | C21 | H64 | 108.6° | 109.5° |
C22 | C21 | H65 | 108.6° | 109.5° |
C22 | C23 | C25 | 113.2° | 120.1° |
C22 | C23 | C24 | 113.6° | 120.0° |
C23 | C22 | H31 | 122.4° | 120.0° |
C25 | C23 | C24 | 112.8° | 120.0° |
C23 | C25 | H69 | 108.2° | 109.5° |
C23 | C25 | H70 | 108.2° | 109.5° |
C23 | C24 | H66 | 109.5° | 109.6° |
C23 | C24 | H67 | 109.5° | 109.5° |
C23 | C24 | H68 | 109.5° | 109.5° |
H2 | C2 | H3 | 109.4° | 109.5° |
H4 | C5 | H5 | 109.5° | 109.4° |
H6 | C6 | H7 | 109.5° | 109.4° |
H8 | C9 | H9 | 109.5° | 109.4° |
H8 | C9 | H10 | 109.5° | 109.5° |
H9 | C9 | H10 | 109.5° | 109.5° |
H14 | C31 | H15 | 109.5° | 109.4° |
H18 | C14 | H19 | 109.4° | 109.5° |
H18 | C14 | H20 | 109.5° | 109.5° |
H19 | C14 | H20 | 109.4° | 109.4° |
H21 | C16 | H22 | 109.5° | 109.5° |
H26 | C19 | H27 | 109.4° | 109.4° |
H26 | C19 | H28 | 109.5° | 109.5° |
H27 | C19 | H28 | 109.5° | 109.5° |
H29 | C20 | H30 | 109.4° | 109.5° |
H35 | C29 | H36 | 109.5° | 109.5° |
H35 | C29 | H37 | 109.4° | 109.4° |
H36 | C29 | H37 | 109.5° | 109.5° |
H38 | C30 | H39 | 109.5° | 109.4° |
H40 | C11 | H41 | 109.5° | 109.5° |
H47 | C6' | H48 | 109.5° | 109.5° |
H54 | C1 | H55 | 109.5° | 109.5° |
H56 | C4 | H57 | 109.5° | 109.5° |
H56 | C4 | H58 | 109.4° | 109.5° |
H57 | C4 | H58 | 109.5° | 109.5° |
H59 | C10 | H60 | 109.5° | 109.4° |
H62 | C15 | H63 | 109.5° | 109.4° |
H64 | C21 | H65 | 109.5° | 109.5° |
H66 | C24 | H67 | 109.5° | 109.4° |
H66 | C24 | H68 | 109.4° | 109.4° |
H67 | C24 | H68 | 109.5° | 109.4° |
H69 | C25 | H70 | 109.5° | 109.4° |
H71 | C26 | H72 | 109.4° | 109.5° |
H78 | C34 | H79 | 109.5° | 109.5° |
H78 | C34 | H80 | 109.5° | 109.5° |
H79 | C34 | H80 | 109.5° | 109.4° |
H81 | C35 | H82 | 109.5° | 109.5° |
H83 | C36 | H84 | 109.5° | 109.5° |
H88 | C39 | H89 | 109.5° | 109.4° |
H88 | C39 | H90 | 109.5° | 109.5° |
H89 | C39 | H90 | 109.5° | 109.5° |
H91 | C40 | H92 | 109.5° | 109.5° |
H93 | C41 | H94 | 109.5° | 109.5° |
H98 | C44 | H99 | 109.5° | 109.5° |
H98 | C44 | H100 | 109.5° | 109.5° |
H99 | C44 | H100 | 109.5° | 109.5° |
H101 | C45 | H102 | 109.5° | 109.5° |
H103 | C46 | H104 | 109.5° | 109.5° |
H108 | C49 | H109 | 109.5° | 109.5° |
H108 | C49 | H110 | 109.4° | 109.5° |
H109 | C49 | H110 | 109.5° | 109.5° |
H111 | C50 | H112 | 109.5° | 109.5° |
H113 | C51 | H114 | 109.5° | 109.5° |
H118 | C54 | H119 | 109.5° | 109.5° |
H118 | C54 | H120 | 109.4° | 109.4° |
H119 | C54 | H120 | 109.5° | 109.5° |
H121 | C55 | H122 | 109.4° | 109.5° |
H121 | C55 | H123 | 109.5° | 109.4° |
H122 | C55 | H123 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C44 | C43 | C45 | C42 | 126.6° | 179.9° |
C44 | C43 | C45 | C46 | 12.4° | 85.0° |
C44 | C43 | C42 | C41 | 9.2° | 5.0° |
C44 | C43 | C42 | H95 | 170.9° | 175.2° |
C43 | C44 | H98 | H99 | 120.0° | 120.0° |
C43 | C44 | H98 | H100 | 120.0° | 120.0° |
C43 | C44 | H99 | H100 | 120.0° | 120.0° |
C44 | C43 | C45 | H101 | 108.1° | 35.0° |
C44 | C43 | C45 | H102 | 133.0° | 155.0° |
C43 | C45 | C46 | H101 | 120.5° | 120.0° |
C43 | C45 | C46 | H102 | 120.6° | 120.0° |
C43 | C45 | C46 | C47 | 70.0° | 180.0° |
C45 | C43 | C42 | C41 | 119.4° | 175.1° |
C45 | C43 | C42 | H95 | 60.6° | 4.8° |
C45 | C43 | C44 | H98 | 180.0° | 94.2° |
C45 | C43 | C44 | H99 | 60.0° | 145.8° |
C45 | C43 | C44 | H100 | 60.0° | 25.8° |
C43 | C45 | H101 | H102 | 118.3° | 120.0° |
C43 | C45 | C46 | H103 | 50.7° | 60.0° |
C43 | C45 | C46 | H104 | 169.3° | 60.0° |
C42 | C43 | C45 | C46 | 114.2° | 95.0° |
C43 | C42 | C41 | H95 | 180.0° | 179.9° |
C43 | C42 | C41 | C40 | 82.3° | 126.9° |
C43 | C42 | C41 | H93 | 156.9° | 6.9° |
C43 | C42 | C41 | H94 | 38.6° | 113.1° |
C42 | C43 | C44 | H98 | 51.9° | 85.8° |
C42 | C43 | C44 | H99 | 171.9° | 34.1° |
C42 | C43 | C44 | H100 | 68.2° | 154.1° |
C42 | C43 | C45 | H101 | 125.3° | 144.9° |
C42 | C43 | C45 | H102 | 6.4° | 25.0° |
C45 | C46 | C47 | H103 | 120.7° | 120.0° |
C45 | C46 | C47 | H104 | 120.7° | 119.9° |
C45 | C46 | C47 | C48 | 167.9° | 119.7° |
C46 | C45 | H101 | H102 | 118.3° | 120.0° |
C45 | C46 | H103 | H104 | 117.7° | 119.9° |
C45 | C46 | C47 | H105 | 12.1° | 60.3° |
C46 | C47 | C48 | C49 | 29.7° | 3.6° |
C46 | C47 | C48 | H105 | 180.0° | 180.0° |
C46 | C47 | C48 | C50 | 154.0° | 176.4° |
C47 | C46 | C45 | H101 | 169.4° | 60.0° |
C47 | C46 | C45 | H102 | 50.5° | 60.0° |
C47 | C46 | H103 | H104 | 117.7° | 120.1° |
C49 | C48 | C47 | C50 | 124.3° | 180.0° |
C49 | C48 | C50 | C51 | 51.8° | 84.9° |
C49 | C48 | C47 | H105 | 150.3° | 176.4° |
C48 | C49 | H108 | H109 | 120.0° | 120.0° |
C48 | C49 | H108 | H110 | 120.0° | 120.0° |
C48 | C49 | H109 | H110 | 120.0° | 120.0° |
C49 | C48 | C50 | H111 | 172.6° | 35.0° |
C49 | C48 | C50 | H112 | 69.0° | 155.0° |
C42 | C41 | C40 | H93 | 120.8° | 120.1° |
C42 | C41 | C40 | H94 | 120.8° | 119.9° |
C42 | C41 | C40 | C38 | 165.8° | 179.9° |
C42 | C41 | C40 | H91 | 45.7° | 59.9° |
C42 | C41 | C40 | H92 | 74.0° | 60.0° |
C42 | C41 | H93 | H94 | 117.3° | 120.0° |
C47 | C48 | C50 | C51 | 72.8° | 95.0° |
C48 | C47 | C46 | H103 | 47.2° | 0.3° |
C48 | C47 | C46 | H104 | 71.3° | 120.3° |
C47 | C48 | C49 | H108 | 180.0° | 88.6° |
C47 | C48 | C49 | H109 | 60.0° | 151.5° |
C47 | C48 | C49 | H110 | 60.0° | 31.4° |
C47 | C48 | C50 | H111 | 47.9° | 145.0° |
C47 | C48 | C50 | H112 | 166.3° | 25.0° |
C48 | C50 | C51 | H111 | 120.8° | 120.0° |
C48 | C50 | C51 | H112 | 120.8° | 120.0° |
C48 | C50 | C51 | C52 | 141.2° | 180.0° |
C50 | C48 | C47 | H105 | 26.0° | 3.6° |
C50 | C48 | C49 | H108 | 56.2° | 91.5° |
C50 | C48 | C49 | H109 | 176.2° | 28.5° |
C50 | C48 | C49 | H110 | 63.8° | 148.5° |
C48 | C50 | H111 | H112 | 117.5° | 120.0° |
C48 | C50 | C51 | H113 | 20.9° | 60.0° |
C48 | C50 | C51 | H114 | 98.4° | 59.9° |
C41 | C40 | C38 | C39 | 41.6° | 86.9° |
C41 | C40 | C38 | H91 | 120.2° | 120.0° |
C41 | C40 | C38 | H92 | 120.2° | 120.0° |
C41 | C40 | C38 | C37 | 169.6° | 93.0° |
C41 | C40 | H91 | H92 | 119.5° | 119.9° |
C40 | C41 | H93 | H94 | 117.3° | 120.0° |
C40 | C41 | C42 | H95 | 97.7° | 53.0° |
C39 | C38 | C40 | C37 | 128.1° | 180.0° |
C39 | C38 | C37 | C36 | 166.6° | 172.9° |
C39 | C38 | C37 | H85 | 13.4° | 7.0° |
C38 | C39 | H88 | H89 | 120.0° | 119.9° |
C38 | C39 | H88 | H90 | 120.0° | 120.0° |
C38 | C39 | H89 | H90 | 120.0° | 120.0° |
C39 | C38 | C40 | H91 | 78.6° | 33.1° |
C39 | C38 | C40 | H92 | 161.7° | 153.1° |
C40 | C38 | C37 | C36 | 39.4° | 7.1° |
C40 | C38 | C37 | H85 | 140.6° | 173.0° |
C40 | C38 | C39 | H88 | 180.0° | 90.0° |
C40 | C38 | C39 | H89 | 60.0° | 29.9° |
C40 | C38 | C39 | H90 | 60.0° | 150.0° |
C38 | C40 | H91 | H92 | 119.4° | 120.0° |
C38 | C40 | C41 | H93 | 73.3° | 60.0° |
C38 | C40 | C41 | H94 | 45.0° | 60.0° |
C50 | C51 | C52 | H113 | 120.3° | 120.0° |
C50 | C51 | C52 | H114 | 120.3° | 120.0° |
C50 | C51 | C52 | C53 | 122.4° | 119.6° |
C51 | C50 | H111 | H112 | 117.5° | 120.0° |
C50 | C51 | H113 | H114 | 119.0° | 120.0° |
C50 | C51 | C52 | H115 | 57.6° | 60.4° |
C51 | C52 | C53 | H115 | 180.0° | 180.0° |
C51 | C52 | C53 | C55 | 36.3° | 5.8° |
C51 | C52 | C53 | C54 | 168.8° | 174.2° |
C52 | C51 | C50 | H111 | 98.0° | 60.0° |
C52 | C51 | C50 | H112 | 20.4° | 60.0° |
C52 | C51 | H113 | H114 | 119.0° | 120.0° |
C38 | C37 | C36 | H85 | 180.0° | 180.0° |
C38 | C37 | C36 | C35 | 131.6° | 118.8° |
C38 | C37 | C36 | H83 | 107.8° | 1.2° |
C38 | C37 | C36 | H84 | 11.0° | 121.3° |
C37 | C38 | C39 | H88 | 51.2° | 90.0° |
C37 | C38 | C39 | H89 | 171.2° | 150.0° |
C37 | C38 | C39 | H90 | 68.7° | 30.0° |
C37 | C38 | C40 | H91 | 49.5° | 146.9° |
C37 | C38 | C40 | H92 | 70.2° | 26.9° |
C52 | C53 | C55 | C54 | 132.0° | 180.0° |
C53 | C52 | C51 | H113 | 117.3° | 0.4° |
C53 | C52 | C51 | H114 | 2.1° | 120.4° |
C52 | C53 | C54 | H118 | 180.0° | 90.0° |
C52 | C53 | C54 | H119 | 60.0° | 150.0° |
C52 | C53 | C54 | H120 | 60.0° | 29.9° |
C52 | C53 | C55 | H121 | 180.0° | 84.1° |
C52 | C53 | C55 | H122 | 60.0° | 155.8° |
C52 | C53 | C55 | H123 | 60.0° | 35.9° |
C37 | C36 | C35 | H83 | 120.6° | 120.0° |
C37 | C36 | C35 | H84 | 120.6° | 120.0° |
C37 | C36 | C35 | C33 | 105.1° | 180.0° |
C37 | C36 | C35 | H81 | 134.4° | 60.0° |
C37 | C36 | C35 | H82 | 15.3° | 60.0° |
C37 | C36 | H83 | H84 | 118.2° | 120.1° |
C9 | C8 | C7 | C6 | 73.5° | 6.1° |
C9 | C8 | C7 | C10 | 133.5° | 180.0° |
C9 | C8 | C10 | C11 | 0.6° | 85.0° |
C8 | C9 | H8 | H9 | 120.0° | 120.0° |
C8 | C9 | H8 | H10 | 120.0° | 120.0° |
C8 | C9 | H9 | H10 | 120.0° | 120.0° |
C9 | C8 | C7 | H12 | 106.5° | 173.8° |
C9 | C8 | C10 | H59 | 120.9° | 35.0° |
C9 | C8 | C10 | H60 | 122.1° | 155.0° |
C7 | C6 | C5 | H6 | 120.5° | 120.0° |
C7 | C6 | C5 | H7 | 120.5° | 120.0° |
C6 | C7 | C8 | H12 | 180.0° | 179.9° |
C7 | C6 | C5 | C3 | 91.3° | 180.0° |
C6 | C7 | C8 | C10 | 152.9° | 173.9° |
C7 | C6 | C5 | H4 | 29.4° | 60.0° |
C7 | C6 | C5 | H5 | 148.0° | 59.9° |
C7 | C6 | H6 | H7 | 118.5° | 120.0° |
C5 | C6 | C7 | C8 | 84.6° | 124.7° |
C6 | C5 | C3 | H4 | 120.7° | 120.0° |
C6 | C5 | C3 | H5 | 120.7° | 120.0° |
C6 | C5 | C3 | C2 | 128.3° | 175.0° |
C6 | C5 | C3 | C4 | 111.3° | 65.0° |
C6 | C5 | C3 | H1 | 8.4° | 55.0° |
C6 | C5 | H4 | H5 | 117.8° | 119.9° |
C5 | C6 | H6 | H7 | 118.5° | 120.0° |
C5 | C6 | C7 | H12 | 95.3° | 55.4° |
C36 | C35 | C33 | C34 | 26.0° | 85.0° |
C36 | C35 | C33 | H81 | 120.5° | 120.0° |
C36 | C35 | C33 | H82 | 120.4° | 120.1° |
C36 | C35 | C33 | C32 | 150.6° | 95.0° |
C36 | C35 | H81 | H82 | 118.6° | 120.1° |
C35 | C36 | H83 | H84 | 118.2° | 120.0° |
C35 | C36 | C37 | H85 | 48.4° | 61.3° |
C55 | C53 | C52 | H115 | 143.7° | 174.2° |
C55 | C53 | C54 | H118 | 49.9° | 90.1° |
C55 | C53 | C54 | H119 | 70.1° | 30.0° |
C55 | C53 | C54 | H120 | 169.9° | 150.0° |
C53 | C55 | H121 | H122 | 120.0° | 120.1° |
C53 | C55 | H121 | H123 | 120.0° | 120.0° |
C53 | C55 | H122 | H123 | 120.0° | 120.0° |
C54 | C53 | C52 | H115 | 11.2° | 5.8° |
C53 | C54 | H118 | H119 | 120.0° | 120.0° |
C53 | C54 | H118 | H120 | 120.0° | 119.9° |
C53 | C54 | H119 | H120 | 120.0° | 120.0° |
C54 | C53 | C55 | H121 | 48.0° | 95.9° |
C54 | C53 | C55 | H122 | 168.0° | 24.2° |
C54 | C53 | C55 | H123 | 72.0° | 144.2° |
C34 | C33 | C35 | C32 | 124.6° | 180.0° |
C34 | C33 | C32 | C31 | 54.6° | 5.8° |
C34 | C33 | C32 | H75 | 125.4° | 174.2° |
C33 | C34 | H78 | H79 | 120.0° | 120.0° |
C33 | C34 | H78 | H80 | 120.0° | 120.0° |
C33 | C34 | H79 | H80 | 120.0° | 119.9° |
C34 | C33 | C35 | H81 | 146.5° | 35.0° |
C34 | C33 | C35 | H82 | 94.4° | 155.0° |
C7 | C8 | C10 | C11 | 130.9° | 95.0° |
C8 | C7 | C6 | H6 | 35.9° | 4.7° |
C8 | C7 | C6 | H7 | 154.9° | 115.2° |
C7 | C8 | C9 | H8 | 180.0° | 84.5° |
C7 | C8 | C9 | H9 | 60.0° | 35.5° |
C7 | C8 | C9 | H10 | 60.0° | 155.5° |
C7 | C8 | C10 | H59 | 107.6° | 145.0° |
C7 | C8 | C10 | H60 | 9.4° | 25.0° |
C5 | C3 | C2 | C4 | 119.2° | 120.0° |
C5 | C3 | C2 | H1 | 119.9° | 120.0° |
C5 | C3 | C2 | C1 | 138.5° | 175.0° |
C5 | C3 | C4 | H1 | 119.5° | 120.0° |
C5 | C3 | C2 | H2 | 17.7° | 65.0° |
C5 | C3 | C2 | H3 | 100.8° | 55.0° |
C3 | C5 | H4 | H5 | 117.7° | 120.1° |
C3 | C5 | C6 | H6 | 148.2° | 60.0° |
C3 | C5 | C6 | H7 | 29.2° | 60.0° |
C5 | C3 | C4 | H56 | 180.0° | 60.0° |
C5 | C3 | C4 | H57 | 60.0° | 180.0° |
C5 | C3 | C4 | H58 | 60.0° | 60.0° |
C8 | C10 | C11 | H59 | 121.5° | 120.0° |
C8 | C10 | C11 | H60 | 121.5° | 120.0° |
C8 | C10 | C11 | C12 | 174.0° | 180.0° |
C10 | C8 | C9 | H8 | 49.8° | 95.5° |
C10 | C8 | C9 | H9 | 70.2° | 144.5° |
C10 | C8 | C9 | H10 | 169.7° | 24.5° |
C10 | C8 | C7 | H12 | 27.0° | 6.2° |
C8 | C10 | C11 | H40 | 65.9° | 60.0° |
C8 | C10 | C11 | H41 | 53.9° | 60.0° |
C8 | C10 | H59 | H60 | 115.2° | 120.0° |
C3 | C2 | C1 | H2 | 120.7° | 120.0° |
C3 | C2 | C1 | H3 | 120.7° | 120.0° |
C2 | C3 | C4 | H1 | 120.8° | 120.0° |
C3 | C2 | C1 | OP | 89.1° | 180.0° |
C3 | C2 | H2 | H3 | 117.8° | 120.0° |
C2 | C3 | C5 | H4 | 110.9° | 55.0° |
C2 | C3 | C5 | H5 | 7.6° | 65.0° |
C3 | C2 | C1 | H54 | 150.4° | 60.0° |
C3 | C2 | C1 | H55 | 31.4° | 60.0° |
C2 | C3 | C4 | H56 | 60.3° | 60.0° |
C2 | C3 | C4 | H57 | 179.7° | 60.0° |
C2 | C3 | C4 | H58 | 59.7° | 180.0° |
C1 | C2 | C3 | C4 | 19.3° | 65.0° |
C2 | C1 | OP | H54 | 120.5° | 120.0° |
C2 | C1 | OP | H55 | 120.5° | 120.0° |
C2 | C1 | OP | P | 178.8° | 180.0° |
C1 | C2 | C3 | H1 | 101.6° | 55.0° |
C1 | C2 | H2 | H3 | 117.9° | 120.0° |
C2 | C1 | H54 | H55 | 118.5° | 120.0° |
C4 | C3 | C2 | H2 | 101.4° | 55.0° |
C4 | C3 | C2 | H3 | 140.0° | 175.0° |
C4 | C3 | C5 | H4 | 9.5° | 175.0° |
C4 | C3 | C5 | H5 | 128.0° | 55.0° |
C3 | C4 | H56 | H57 | 120.0° | 120.0° |
C3 | C4 | H56 | H58 | 120.0° | 120.0° |
C3 | C4 | H57 | H58 | 120.0° | 120.0° |
C35 | C33 | C32 | C31 | 179.0° | 174.2° |
C35 | C33 | C32 | H75 | 1.0° | 5.8° |
C35 | C33 | C34 | H78 | 180.0° | 95.9° |
C35 | C33 | C34 | H79 | 60.0° | 24.1° |
C35 | C33 | C34 | H80 | 60.0° | 144.0° |
C33 | C35 | H81 | H82 | 118.6° | 119.9° |
C33 | C35 | C36 | H83 | 15.5° | 60.0° |
C33 | C35 | C36 | H84 | 134.3° | 60.0° |
C33 | C32 | C31 | H75 | 180.0° | 180.0° |
C33 | C32 | C31 | C30 | 44.3° | 119.6° |
C33 | C32 | C31 | H14 | 165.0° | 0.4° |
C33 | C32 | C31 | H15 | 76.4° | 120.4° |
C32 | C33 | C34 | H78 | 54.4° | 84.1° |
C32 | C33 | C34 | H79 | 65.7° | 155.8° |
C32 | C33 | C34 | H80 | 174.3° | 35.9° |
C32 | C33 | C35 | H81 | 88.9° | 145.0° |
C32 | C33 | C35 | H82 | 30.2° | 25.1° |
C10 | C11 | C12 | H40 | 120.1° | 120.0° |
C10 | C11 | C12 | H41 | 120.1° | 120.0° |
C10 | C11 | C12 | C13 | 169.7° | 117.1° |
C10 | C11 | C12 | H16 | 10.3° | 62.8° |
C10 | C11 | H40 | H41 | 119.7° | 120.0° |
C11 | C10 | H59 | H60 | 115.1° | 120.0° |
C11 | C12 | C13 | C15 | 48.8° | 174.9° |
C11 | C12 | C13 | C14 | 79.6° | 5.2° |
C11 | C12 | C13 | H16 | 180.0° | 179.9° |
C12 | C11 | H40 | H41 | 119.7° | 119.9° |
C12 | C11 | C10 | H59 | 52.5° | 60.0° |
C12 | C11 | C10 | H60 | 64.5° | 60.0° |
C1 | OP | P | O1' | 108.4° | 175.0° |
C1 | OP | P | OP2 | 10.6° | 55.0° |
C1 | OP | P | OP3 | 131.7° | 65.0° |
OP | C1 | C2 | H2 | 31.6° | 60.0° |
OP | C1 | C2 | H3 | 150.2° | 60.0° |
OP | C1 | H54 | H55 | 118.5° | 120.0° |
C13 | C15 | C16 | H62 | 120.9° | 120.0° |
C13 | C15 | C16 | H63 | 120.9° | 120.1° |
C15 | C13 | C14 | C12 | 129.7° | 179.9° |
C13 | C15 | C16 | C17 | 45.4° | 180.0° |
C15 | C13 | C12 | H16 | 131.2° | 5.0° |
C15 | C13 | C14 | H18 | 180.0° | 116.8° |
C15 | C13 | C14 | H19 | 60.0° | 3.3° |
C15 | C13 | C14 | H20 | 60.0° | 123.2° |
C13 | C15 | C16 | H21 | 166.4° | 60.0° |
C13 | C15 | C16 | H22 | 75.6° | 60.0° |
C13 | C15 | H62 | H63 | 117.3° | 120.0° |
C16 | C15 | C13 | C14 | 87.6° | 85.0° |
C16 | C15 | C13 | C12 | 144.0° | 95.1° |
C15 | C16 | C17 | H21 | 121.0° | 120.0° |
C15 | C16 | C17 | H22 | 121.0° | 120.0° |
C15 | C16 | C17 | C18 | 164.1° | 116.4° |
C15 | C16 | H21 | H22 | 116.8° | 119.9° |
C15 | C16 | C17 | H23 | 15.9° | 63.5° |
C16 | C15 | H62 | H63 | 117.3° | 120.0° |
C32 | C31 | C30 | H14 | 120.7° | 120.1° |
C32 | C31 | C30 | H15 | 120.7° | 120.0° |
C32 | C31 | C30 | C28 | 154.4° | 180.0° |
C32 | C31 | H14 | H15 | 117.9° | 119.9° |
C32 | C31 | C30 | H38 | 84.9° | 60.0° |
C32 | C31 | C30 | H39 | 33.9° | 59.9° |
OP | P | O1' | OP2 | 121.2° | 120.1° |
OP | P | O1' | OP3 | 121.1° | 120.0° |
OP | P | O1' | C1' | 150.1° | 175.0° |
OP | P | OP2 | OP3 | 122.7° | 120.0° |
OP | P | OP3 | H53 | 123.1° | 60.0° |
P | OP | C1 | H54 | 60.7° | 60.0° |
P | OP | C1 | H55 | 58.4° | 60.0° |
C14 | C13 | C12 | H16 | 100.4° | 174.9° |
C13 | C14 | H18 | H19 | 120.0° | 120.0° |
C13 | C14 | H18 | H20 | 120.0° | 120.0° |
C13 | C14 | H19 | H20 | 120.0° | 120.0° |
C14 | C13 | C15 | H62 | 33.3° | 155.0° |
C14 | C13 | C15 | H63 | 151.5° | 35.0° |
C31 | C30 | C28 | H38 | 120.6° | 120.0° |
C31 | C30 | C28 | H39 | 120.6° | 120.0° |
C31 | C30 | C28 | C29 | 82.5° | 85.1° |
C31 | C30 | C28 | C27 | 149.1° | 95.0° |
C30 | C31 | H14 | H15 | 117.8° | 120.0° |
C31 | C30 | H38 | H39 | 118.1° | 119.9° |
C30 | C31 | C32 | H75 | 135.7° | 60.4° |
C30 | C28 | C29 | C27 | 128.5° | 179.9° |
C30 | C28 | C27 | C26 | 165.0° | 175.1° |
C28 | C30 | C31 | H14 | 33.8° | 59.9° |
C28 | C30 | C31 | H15 | 84.9° | 60.0° |
C30 | C28 | C29 | H35 | 180.0° | 123.5° |
C30 | C28 | C29 | H36 | 60.0° | 3.4° |
C30 | C28 | C29 | H37 | 60.0° | 116.6° |
C28 | C30 | H38 | H39 | 118.1° | 120.1° |
C30 | C28 | C27 | H73 | 15.0° | 4.9° |
C12 | C13 | C14 | H18 | 50.3° | 63.1° |
C12 | C13 | C14 | H19 | 69.7° | 176.8° |
C12 | C13 | C14 | H20 | 170.3° | 56.9° |
C13 | C12 | C11 | H40 | 70.2° | 122.8° |
C13 | C12 | C11 | H41 | 49.6° | 2.9° |
C12 | C13 | C15 | H62 | 95.1° | 24.9° |
C12 | C13 | C15 | H63 | 23.1° | 144.9° |
O6' | C6' | C5' | H47 | 119.6° | 120.0° |
O6' | C6' | C5' | H48 | 119.7° | 119.9° |
O6' | C6' | C5' | O5' | 136.7° | 65.0° |
O6' | C6' | C5' | C4' | 99.0° | 175.0° |
O6' | C6' | C5' | H46 | 18.4° | 55.0° |
O6' | C6' | H47 | H48 | 121.1° | 120.1° |
C6' | C5' | O5' | C4' | 124.7° | 120.0° |
C6' | C5' | O5' | H46 | 117.6° | 120.0° |
C6' | C5' | O5' | C1' | 174.5° | 178.8° |
C6' | C5' | C4' | H46 | 117.7° | 120.0° |
C6' | C5' | C4' | O4' | 61.7° | 62.5° |
C6' | C5' | C4' | C3' | 180.0° | 177.6° |
C6' | C5' | C4' | H45 | 60.1° | 57.7° |
C5' | C6' | H47 | H48 | 121.1° | 119.9° |
C5' | C6' | O6' | H52 | 180.0° | 180.0° |
C29 | C28 | C27 | C26 | 66.8° | 4.8° |
C28 | C29 | H35 | H36 | 120.0° | 120.1° |
C28 | C29 | H35 | H37 | 120.0° | 119.9° |
C28 | C29 | H36 | H37 | 120.0° | 120.0° |
C29 | C28 | C30 | H38 | 38.1° | 154.9° |
C29 | C28 | C30 | H39 | 156.9° | 35.0° |
C29 | C28 | C27 | H73 | 113.2° | 175.2° |
C16 | C17 | C18 | H23 | 180.0° | 179.9° |
C16 | C17 | C18 | C20 | 174.4° | 178.3° |
C16 | C17 | C18 | C19 | 49.0° | 1.6° |
C17 | C16 | H21 | H22 | 116.9° | 120.0° |
C17 | C16 | C15 | H62 | 75.5° | 60.0° |
C17 | C16 | C15 | H63 | 166.2° | 60.0° |
C5' | O5' | C1' | O1' | 166.1° | 178.9° |
O5' | C5' | C4' | H46 | 118.6° | 120.0° |
C5' | O5' | C1' | C2' | 65.8° | 61.1° |
O5' | C5' | C4' | O4' | 174.5° | 177.5° |
O5' | C5' | C4' | C3' | 56.3° | 57.6° |
C5' | O5' | C1' | H42 | 49.0° | 58.8° |
O5' | C5' | C4' | H45 | 63.6° | 62.3° |
O5' | C5' | C6' | H47 | 17.0° | 174.9° |
O5' | C5' | C6' | H48 | 103.7° | 54.9° |
O5' | C1' | O1' | P | 91.3° | 90.0° |
O5' | C1' | O1' | C2' | 126.4° | 119.9° |
O5' | C1' | O1' | H42 | 117.0° | 120.0° |
O5' | C1' | C2' | O2' | 51.1° | 62.4° |
C1' | O5' | C5' | C4' | 60.8° | 61.2° |
O5' | C1' | C2' | H42 | 115.7° | 119.9° |
O5' | C1' | C2' | C3' | 65.2° | 57.6° |
O5' | C1' | C2' | H43 | 174.9° | 177.5° |
C1' | O5' | C5' | H46 | 56.9° | 58.8° |
O1' | P | OP2 | OP3 | 118.2° | 120.0° |
P | O1' | C1' | C2' | 142.3° | 150.0° |
P | O1' | C1' | H42 | 25.8° | 30.0° |
O1' | P | OP3 | H53 | 117.6° | 60.0° |
O1' | C1' | C2' | O2' | 75.8° | 57.7° |
C1' | O1' | P | OP2 | 28.9° | 55.0° |
C1' | O1' | P | OP3 | 88.8° | 65.0° |
O1' | C1' | C2' | H42 | 117.3° | 120.0° |
O1' | C1' | C2' | C3' | 167.9° | 177.6° |
O1' | C1' | C2' | H43 | 48.0° | 62.5° |
O2' | C2' | C1' | C3' | 116.3° | 120.0° |
O2' | C2' | C1' | H43 | 123.8° | 120.1° |
O2' | C2' | C3' | C4' | 60.9° | 62.9° |
O2' | C2' | C3' | H43 | 121.5° | 120.1° |
O2' | C2' | C3' | O3' | 61.8° | 56.9° |
O2' | C2' | C1' | H42 | 166.8° | 177.7° |
O2' | C2' | C3' | H44 | 178.0° | 177.1° |
C17 | C18 | C20 | C19 | 126.3° | 180.0° |
C17 | C18 | C20 | C21 | 162.9° | 95.0° |
C18 | C17 | C16 | H21 | 75.0° | 123.6° |
C18 | C17 | C16 | H22 | 43.1° | 3.6° |
C17 | C18 | C19 | H26 | 180.0° | 84.1° |
C17 | C18 | C19 | H27 | 60.0° | 156.0° |
C17 | C18 | C19 | H28 | 60.0° | 36.0° |
C17 | C18 | C20 | H29 | 42.7° | 145.0° |
C17 | C18 | C20 | H30 | 77.0° | 24.9° |
OP2 | P | OP3 | H53 | 0.0° | 180.0° |
C28 | C27 | C26 | H73 | 180.0° | 180.0° |
C28 | C27 | C26 | C25 | 100.8° | 122.7° |
C27 | C28 | C29 | H35 | 51.5° | 56.5° |
C27 | C28 | C29 | H36 | 171.4° | 176.5° |
C27 | C28 | C29 | H37 | 68.5° | 63.5° |
C27 | C28 | C30 | H38 | 90.3° | 25.0° |
C27 | C28 | C30 | H39 | 28.5° | 145.0° |
C28 | C27 | C26 | H71 | 20.1° | 2.8° |
C28 | C27 | C26 | H72 | 138.2° | 117.3° |
C5' | C4' | O4' | C3' | 119.4° | 119.7° |
C5' | C4' | O4' | H45 | 120.3° | 120.2° |
C5' | C4' | C3' | H45 | 119.8° | 120.0° |
C5' | C4' | C3' | C2' | 54.7° | 57.0° |
C5' | C4' | C3' | O3' | 176.2° | 176.8° |
C5' | C4' | C3' | H44 | 62.6° | 62.9° |
C4' | C5' | C6' | H47 | 141.3° | 55.0° |
C4' | C5' | C6' | H48 | 20.6° | 65.0° |
C5' | C4' | O4' | H51 | 180.0° | 179.7° |
C1' | C2' | C3' | C4' | 57.9° | 57.0° |
C1' | C2' | C3' | H43 | 119.7° | 119.9° |
C1' | C2' | C3' | O3' | 179.3° | 176.9° |
C1' | C2' | C3' | H44 | 59.2° | 63.0° |
C1' | C2' | O2' | H49 | 180.0° | 59.9° |
O4' | C4' | C3' | H45 | 121.7° | 120.1° |
O4' | C4' | C3' | C2' | 173.2° | 176.9° |
O4' | C4' | C3' | O3' | 65.3° | 63.3° |
O4' | C4' | C3' | H44 | 56.0° | 57.0° |
O4' | C4' | C5' | H46 | 55.9° | 57.5° |
C4' | C3' | C2' | O3' | 122.7° | 119.8° |
C4' | C3' | C2' | H44 | 117.1° | 120.0° |
C4' | C3' | O3' | H44 | 120.3° | 120.3° |
C4' | C3' | C2' | H43 | 177.6° | 176.9° |
C3' | C4' | C5' | H46 | 62.3° | 62.4° |
C4' | C3' | O3' | H50 | 180.0° | 179.5° |
C3' | C4' | O4' | H51 | 60.6° | 60.0° |
C2' | C3' | O3' | H44 | 119.3° | 120.2° |
C3' | C2' | C1' | H42 | 50.5° | 62.3° |
C2' | C3' | C4' | H45 | 65.1° | 63.0° |
C3' | C2' | O2' | H49 | 63.3° | 179.7° |
C2' | C3' | O3' | H50 | 59.6° | 60.0° |
C27 | C26 | C25 | H71 | 120.9° | 120.0° |
C27 | C26 | C25 | H72 | 120.9° | 120.1° |
C27 | C26 | C25 | C23 | 80.9° | 180.0° |
C27 | C26 | C25 | H69 | 158.3° | 60.0° |
C27 | C26 | C25 | H70 | 39.8° | 60.0° |
C27 | C26 | H71 | H72 | 117.1° | 120.1° |
C18 | C20 | C21 | H29 | 120.1° | 120.0° |
C18 | C20 | C21 | H30 | 120.1° | 120.0° |
C18 | C20 | C21 | C22 | 119.5° | 180.0° |
C20 | C18 | C17 | H23 | 5.5° | 1.7° |
C20 | C18 | C19 | H26 | 52.0° | 95.9° |
C20 | C18 | C19 | H27 | 172.0° | 24.0° |
C20 | C18 | C19 | H28 | 68.0° | 144.1° |
C18 | C20 | H29 | H30 | 119.7° | 120.0° |
C18 | C20 | C21 | H64 | 1.0° | 60.0° |
C18 | C20 | C21 | H65 | 120.0° | 60.0° |
C19 | C18 | C20 | C21 | 36.6° | 85.0° |
C19 | C18 | C17 | H23 | 131.0° | 178.3° |
C18 | C19 | H26 | H27 | 120.0° | 119.9° |
C18 | C19 | H26 | H28 | 120.0° | 120.0° |
C18 | C19 | H27 | H28 | 120.0° | 120.0° |
C19 | C18 | C20 | H29 | 83.5° | 35.0° |
C19 | C18 | C20 | H30 | 156.7° | 155.0° |
C20 | C21 | C22 | H64 | 120.5° | 120.0° |
C20 | C21 | C22 | H65 | 120.5° | 120.0° |
C20 | C21 | C22 | C23 | 161.1° | 116.9° |
C21 | C20 | H29 | H30 | 119.7° | 120.0° |
C20 | C21 | C22 | H31 | 18.9° | 63.1° |
C20 | C21 | H64 | H65 | 118.4° | 120.0° |
O3' | C3' | C2' | H43 | 59.7° | 63.2° |
O3' | C3' | C4' | H45 | 56.4° | 56.8° |
C26 | C25 | C23 | C22 | 8.5° | 95.0° |
C26 | C25 | C23 | H69 | 120.7° | 120.1° |
C26 | C25 | C23 | H70 | 120.7° | 120.0° |
C26 | C25 | C23 | C24 | 139.3° | 85.1° |
C26 | C25 | H69 | H70 | 117.7° | 120.0° |
C25 | C26 | H71 | H72 | 117.2° | 119.9° |
C25 | C26 | C27 | H73 | 79.2° | 57.3° |
C21 | C22 | C23 | H31 | 180.0° | 180.0° |
C21 | C22 | C23 | C25 | 160.9° | 175.6° |
C21 | C22 | C23 | C24 | 68.7° | 4.4° |
C22 | C21 | C20 | H29 | 120.4° | 60.0° |
C22 | C21 | C20 | H30 | 0.6° | 60.0° |
C22 | C21 | H64 | H65 | 118.4° | 120.0° |
C22 | C23 | C25 | C24 | 130.8° | 180.0° |
C23 | C22 | C21 | H64 | 40.6° | 3.1° |
C23 | C22 | C21 | H65 | 78.4° | 123.1° |
C22 | C23 | C24 | H66 | 180.0° | 84.4° |
C22 | C23 | C24 | H67 | 60.0° | 155.6° |
C22 | C23 | C24 | H68 | 60.0° | 35.7° |
C22 | C23 | C25 | H69 | 112.2° | 144.9° |
C22 | C23 | C25 | H70 | 129.2° | 25.0° |
C25 | C23 | C22 | H31 | 19.1° | 4.4° |
C25 | C23 | C24 | H66 | 49.4° | 95.6° |
C25 | C23 | C24 | H67 | 169.4° | 24.5° |
C25 | C23 | C24 | H68 | 70.6° | 144.4° |
C23 | C25 | H69 | H70 | 117.7° | 120.0° |
C23 | C25 | C26 | H71 | 40.0° | 59.9° |
C23 | C25 | C26 | H72 | 158.1° | 60.0° |
C24 | C23 | C22 | H31 | 111.3° | 175.6° |
C23 | C24 | H66 | H67 | 120.0° | 120.1° |
C23 | C24 | H66 | H68 | 120.0° | 120.1° |
C23 | C24 | H67 | H68 | 120.0° | 120.0° |
C24 | C23 | C25 | H69 | 18.6° | 35.0° |
C24 | C23 | C25 | H70 | 99.9° | 155.0° |
H1 | C3 | C2 | H2 | 137.6° | 175.0° |
H1 | C3 | C2 | H3 | 19.1° | 65.0° |
H1 | C3 | C5 | H4 | 129.1° | 65.0° |
H1 | C3 | C5 | H5 | 112.3° | 175.0° |
H1 | C3 | C4 | H56 | 60.5° | 180.0° |
H1 | C3 | C4 | H57 | 59.5° | 60.0° |
H1 | C3 | C4 | H58 | 179.5° | 60.0° |
H2 | C2 | C1 | H54 | 88.9° | 180.0° |
H2 | C2 | C1 | H55 | 152.1° | 60.0° |
H3 | C2 | C1 | H54 | 29.7° | 60.0° |
H3 | C2 | C1 | H55 | 89.3° | 180.0° |
H4 | C5 | C6 | H6 | 91.1° | 180.0° |
H4 | C5 | C6 | H7 | 149.9° | 60.1° |
H5 | C5 | C6 | H6 | 27.5° | 60.1° |
H5 | C5 | C6 | H7 | 91.5° | 180.0° |
H6 | C6 | C7 | H12 | 144.2° | 175.3° |
H7 | C6 | C7 | H12 | 25.2° | 64.7° |
H8 | C9 | H9 | H10 | 120.0° | 120.0° |
H14 | C31 | C30 | H38 | 154.4° | 60.1° |
H14 | C31 | C30 | H39 | 86.8° | 180.0° |
H14 | C31 | C32 | H75 | 15.0° | 179.6° |
H15 | C31 | C30 | H38 | 35.8° | 180.0° |
H15 | C31 | C30 | H39 | 154.5° | 60.0° |
H15 | C31 | C32 | H75 | 103.6° | 59.6° |
H16 | C12 | C11 | H40 | 109.8° | 57.3° |
H16 | C12 | C11 | H41 | 130.4° | 177.2° |
H18 | C14 | H19 | H20 | 120.0° | 120.0° |
H21 | C16 | C17 | H23 | 105.1° | 56.5° |
H21 | C16 | C15 | H62 | 45.5° | 180.0° |
H21 | C16 | C15 | H63 | 72.7° | 60.1° |
H22 | C16 | C17 | H23 | 136.9° | 176.5° |
H22 | C16 | C15 | H62 | 163.5° | 60.0° |
H22 | C16 | C15 | H63 | 45.2° | 180.0° |
H26 | C19 | H27 | H28 | 120.0° | 120.0° |
H29 | C20 | C21 | H64 | 119.1° | 180.0° |
H29 | C20 | C21 | H65 | 0.1° | 60.0° |
H30 | C20 | C21 | H64 | 121.2° | 60.0° |
H30 | C20 | C21 | H65 | 119.9° | 180.0° |
H31 | C22 | C21 | H64 | 139.4° | 176.9° |
H31 | C22 | C21 | H65 | 101.6° | 56.9° |
H35 | C29 | H36 | H37 | 120.0° | 120.0° |
H40 | C11 | C10 | H59 | 172.6° | 60.0° |
H40 | C11 | C10 | H60 | 55.6° | 180.0° |
H41 | C11 | C10 | H59 | 67.6° | 180.0° |
H41 | C11 | C10 | H60 | 175.4° | 60.0° |
H42 | C1' | C2' | H43 | 69.4° | 57.6° |
H43 | C2' | C3' | H44 | 60.5° | 56.9° |
H43 | C2' | O2' | H49 | 57.2° | 60.2° |
H44 | C3' | C4' | H45 | 177.6° | 177.1° |
H44 | C3' | O3' | H50 | 59.7° | 60.1° |
H45 | C4' | C5' | H46 | 177.8° | 177.7° |
H45 | C4' | O4' | H51 | 59.7° | 60.1° |
H46 | C5' | C6' | H47 | 101.2° | 65.1° |
H46 | C5' | C6' | H48 | 138.1° | 174.9° |
H47 | C6' | O6' | H52 | 60.4° | 60.1° |
H48 | C6' | O6' | H52 | 60.3° | 60.0° |
H56 | C4 | H57 | H58 | 120.0° | 120.0° |
H66 | C24 | H67 | H68 | 120.0° | 119.9° |
H69 | C25 | C26 | H71 | 80.7° | 180.0° |
H69 | C25 | C26 | H72 | 37.4° | 60.1° |
H70 | C25 | C26 | H71 | 160.7° | 60.0° |
H70 | C25 | C26 | H72 | 81.1° | 180.0° |
H71 | C26 | C27 | H73 | 159.9° | 177.2° |
H72 | C26 | C27 | H73 | 41.8° | 62.7° |
H78 | C34 | H79 | H80 | 120.0° | 120.0° |
H81 | C35 | C36 | H83 | 105.0° | 180.0° |
H81 | C35 | C36 | H84 | 13.8° | 60.0° |
H82 | C35 | C36 | H83 | 135.9° | 60.0° |
H82 | C35 | C36 | H84 | 105.2° | 180.0° |
H83 | C36 | C37 | H85 | 72.2° | 178.8° |
H84 | C36 | C37 | H85 | 169.0° | 58.7° |
H88 | C39 | H89 | H90 | 120.0° | 120.0° |
H91 | C40 | C41 | H93 | 166.5° | 180.0° |
H91 | C40 | C41 | H94 | 75.2° | 60.0° |
H92 | C40 | C41 | H93 | 46.8° | 60.0° |
H92 | C40 | C41 | H94 | 165.2° | 180.0° |
H93 | C41 | C42 | H95 | 23.1° | 173.0° |
H94 | C41 | C42 | H95 | 141.4° | 67.0° |
H98 | C44 | H99 | H100 | 120.0° | 120.0° |
H101 | C45 | C46 | H103 | 69.8° | 180.0° |
H101 | C45 | C46 | H104 | 48.7° | 60.0° |
H102 | C45 | C46 | H103 | 171.3° | 60.0° |
H102 | C45 | C46 | H104 | 70.2° | 180.0° |
H103 | C46 | C47 | H105 | 132.8° | 179.8° |
H104 | C46 | C47 | H105 | 108.6° | 59.7° |
H108 | C49 | H109 | H110 | 120.0° | 120.0° |
H111 | C50 | C51 | H113 | 141.7° | 180.0° |
H111 | C50 | C51 | H114 | 22.3° | 60.0° |
H112 | C50 | C51 | H113 | 99.9° | 60.0° |
H112 | C50 | C51 | H114 | 140.8° | 180.0° |
H113 | C51 | C52 | H115 | 62.7° | 179.6° |
H114 | C51 | C52 | H115 | 177.9° | 59.6° |
H118 | C54 | H119 | H120 | 120.0° | 120.0° |
H121 | C55 | H122 | H123 | 120.0° | 119.9° |