NNM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | C8 | doub | 1.31Å | 1.53Å | |
C11 | C10 | sing | 1.53Å | 1.56Å | |
C11 | C12 | sing | 1.53Å | 1.56Å | |
C17 | C16 | sing | 1.53Å | 1.55Å | |
C17 | C18 | sing | 1.51Å | 1.35Å | |
C19 | C18 | doub | 1.31Å | 1.56Å | |
C8 | C10 | sing | 1.51Å | 1.55Å | |
C8 | C7 | sing | 1.51Å | 1.33Å | |
C12 | C13 | sing | 1.51Å | 1.35Å | |
C16 | C15 | sing | 1.53Å | 1.54Å | |
C2 | C1 | sing | 1.53Å | 1.57Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C18 | C20 | sing | 1.51Å | 1.57Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.55Å | |
C13 | C14 | doub | 1.31Å | 1.54Å | |
C13 | C15 | sing | 1.51Å | 1.56Å | |
C1 | OP | sing | 1.43Å | 1.44Å | |
C3 | C5 | sing | 1.53Å | 1.55Å | |
C29 | C28 | doub | 1.31Å | 1.54Å | |
OP3 | P | doub | 1.48Å | 1.51Å | |
OP | P | sing | 1.61Å | 1.69Å | |
C21 | C20 | sing | 1.53Å | 1.54Å | |
C21 | C22 | sing | 1.53Å | 1.57Å | |
OP2 | P | sing | 1.61Å | 1.51Å | |
P | O1' | sing | 1.61Å | 1.68Å | |
C26 | C25 | sing | 1.53Å | 1.55Å | |
C26 | C27 | sing | 1.53Å | 1.55Å | |
C28 | C27 | sing | 1.51Å | 1.35Å | |
C28 | C30 | sing | 1.51Å | 1.56Å | |
C22 | C23 | sing | 1.51Å | 1.36Å | |
C25 | C23 | sing | 1.51Å | 1.54Å | |
C30 | C31 | sing | 1.53Å | 1.56Å | |
C23 | C24 | doub | 1.31Å | 1.54Å | |
C31 | C32 | sing | 1.53Å | 1.57Å | |
C40 | C38 | sing | 1.51Å | 1.56Å | |
C39 | C38 | doub | 1.31Å | 1.54Å | |
C32 | C33 | sing | 1.51Å | 1.35Å | |
C38 | C37 | sing | 1.51Å | 1.37Å | |
C35 | C33 | sing | 1.51Å | 1.56Å | |
C35 | C36 | sing | 1.53Å | 1.55Å | |
C33 | C34 | doub | 1.31Å | 1.53Å | |
C37 | C36 | sing | 1.53Å | 1.57Å | |
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 | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C31 | H12 | sing | 1.09Å | 1.10Å | |
C31 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H16 | sing | 1.08Å | 1.08Å | |
C16 | H18 | sing | 1.09Å | 1.10Å | |
C16 | H19 | sing | 1.09Å | 1.10Å | |
C17 | H20 | sing | 1.09Å | 1.10Å | |
C19 | H21 | sing | 1.08Å | 1.08Å | |
C19 | H22 | sing | 1.08Å | 1.08Å | |
C20 | H24 | sing | 1.09Å | 1.10Å | |
C20 | H25 | sing | 1.09Å | 1.10Å | |
C22 | H26 | sing | 1.09Å | 1.10Å | |
C29 | H27 | sing | 1.08Å | 1.08Å | |
C29 | H28 | sing | 1.08Å | 1.08Å | |
C30 | H30 | sing | 1.09Å | 1.10Å | |
C30 | H31 | sing | 1.09Å | 1.10Å | |
C11 | H32 | sing | 1.09Å | 1.10Å | |
C11 | H33 | sing | 1.09Å | 1.10Å | |
O1' | H34 | sing | 0.97Å | 0.95Å | |
OP2 | H35 | sing | 0.97Å | 0.95Å | |
C1 | H36 | sing | 1.09Å | 1.10Å | |
C1 | H37 | sing | 1.09Å | 1.10Å | |
C4 | H38 | sing | 1.09Å | 1.10Å | |
C4 | H39 | sing | 1.09Å | 1.10Å | |
C4 | H40 | sing | 1.09Å | 1.10Å | |
C10 | H41 | sing | 1.09Å | 1.10Å | |
C10 | H42 | sing | 1.09Å | 1.10Å | |
C15 | H43 | sing | 1.09Å | 1.10Å | |
C15 | H44 | sing | 1.09Å | 1.10Å | |
C21 | H45 | sing | 1.09Å | 1.10Å | |
C21 | H46 | sing | 1.09Å | 1.10Å | |
C24 | H47 | sing | 1.08Å | 1.08Å | |
C24 | H48 | sing | 1.08Å | 1.08Å | |
C25 | H50 | sing | 1.09Å | 1.10Å | |
C25 | H51 | sing | 1.09Å | 1.10Å | |
C26 | H52 | sing | 1.09Å | 1.10Å | |
C26 | H53 | sing | 1.09Å | 1.10Å | |
C27 | H54 | sing | 1.09Å | 1.10Å | |
C32 | H55 | sing | 1.09Å | 1.10Å | |
C34 | H56 | sing | 1.08Å | 1.08Å | |
C34 | H57 | sing | 1.08Å | 1.08Å | |
C35 | H59 | sing | 1.09Å | 1.10Å | |
C35 | H60 | sing | 1.09Å | 1.10Å | |
C36 | H61 | sing | 1.09Å | 1.10Å | |
C36 | H62 | sing | 1.09Å | 1.10Å | |
C37 | H63 | sing | 1.09Å | 1.10Å | |
C39 | H64 | sing | 1.08Å | 1.08Å | |
C39 | H65 | sing | 1.08Å | 1.08Å | |
C40 | H67 | sing | 1.09Å | 1.10Å | |
C40 | H68 | sing | 1.09Å | 1.10Å | |
C40 | H69 | sing | 1.09Å | 1.10Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C12 | H70 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C22 | H23 | sing | 1.09Å | 1.10Å | |
C27 | H29 | sing | 1.09Å | 1.10Å | |
C32 | H49 | sing | 1.09Å | 1.10Å | |
C37 | H58 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | C8 | C10 | 120.3° | 120.0° |
C9 | C8 | C7 | 121.9° | 120.0° |
C8 | C9 | H8 | 120.0° | 120.0° |
C8 | C9 | H9 | 120.0° | 120.0° |
C10 | C11 | C12 | 105.0° | 109.5° |
C11 | C10 | C8 | 111.5° | 109.5° |
C10 | C11 | H32 | 110.6° | 109.4° |
C10 | C11 | H33 | 110.6° | 109.5° |
C11 | C10 | H41 | 109.0° | 109.5° |
C11 | C10 | H42 | 109.0° | 109.4° |
C11 | C12 | C13 | 121.6° | 109.5° |
C11 | C12 | H14 | 106.3° | 109.5° |
C12 | C11 | H32 | 110.6° | 109.4° |
C12 | C11 | H33 | 110.6° | 109.5° |
C11 | C12 | H70 | 106.4° | 109.5° |
C16 | C17 | C18 | 127.0° | 109.5° |
C17 | C16 | C15 | 113.8° | 109.5° |
C17 | C16 | H18 | 108.4° | 109.4° |
C17 | C16 | H19 | 108.4° | 109.5° |
C16 | C17 | H20 | 104.9° | 109.5° |
C16 | C17 | H17 | 104.9° | 109.5° |
C17 | C18 | C19 | 118.4° | 120.0° |
C17 | C18 | C20 | 123.7° | 120.0° |
C18 | C17 | H20 | 105.0° | 109.5° |
C18 | C17 | H17 | 105.0° | 109.5° |
C19 | C18 | C20 | 117.9° | 120.0° |
C18 | C19 | H21 | 120.0° | 120.0° |
C18 | C19 | H22 | 120.0° | 120.0° |
C10 | C8 | C7 | 117.7° | 120.0° |
C8 | C10 | H41 | 109.0° | 109.5° |
C8 | C10 | H42 | 108.9° | 109.5° |
C8 | C7 | C6 | 122.6° | 109.5° |
C8 | C7 | H11 | 106.1° | 109.4° |
C8 | C7 | H10 | 106.1° | 109.5° |
C12 | C13 | C14 | 120.9° | 120.0° |
C12 | C13 | C15 | 119.7° | 120.0° |
C13 | C12 | H14 | 106.4° | 109.5° |
C13 | C12 | H70 | 106.3° | 109.5° |
C16 | C15 | C13 | 115.2° | 109.5° |
C15 | C16 | H18 | 108.3° | 109.5° |
C15 | C16 | H19 | 108.4° | 109.5° |
C16 | C15 | H43 | 108.0° | 109.5° |
C16 | C15 | H44 | 108.0° | 109.5° |
C1 | C2 | C3 | 110.8° | 109.5° |
C2 | C1 | OP | 111.0° | 109.5° |
C1 | C2 | H2 | 109.1° | 109.5° |
C1 | C2 | H3 | 109.1° | 109.4° |
C2 | C1 | H36 | 109.1° | 109.5° |
C2 | C1 | H37 | 109.1° | 109.5° |
C2 | C3 | C4 | 109.1° | 109.5° |
C2 | C3 | C5 | 109.8° | 109.5° |
C2 | C3 | H1 | 109.3° | 109.5° |
C3 | C2 | H2 | 109.1° | 109.5° |
C3 | C2 | H3 | 109.1° | 109.5° |
C4 | C3 | C5 | 110.2° | 109.5° |
C4 | C3 | H1 | 109.4° | 109.5° |
C3 | C4 | H38 | 109.5° | 109.5° |
C3 | C4 | H39 | 109.5° | 109.5° |
C3 | C4 | H40 | 109.5° | 109.5° |
C18 | C20 | C21 | 109.2° | 109.5° |
C18 | C20 | H24 | 109.5° | 109.5° |
C18 | C20 | H25 | 109.5° | 109.5° |
C7 | C6 | C5 | 108.2° | 109.4° |
C7 | C6 | H6 | 109.8° | 109.5° |
C7 | C6 | H7 | 109.8° | 109.5° |
C6 | C7 | H11 | 106.1° | 109.5° |
C6 | C7 | H10 | 106.1° | 109.5° |
C6 | C5 | C3 | 110.6° | 109.5° |
C6 | C5 | H4 | 109.2° | 109.5° |
C6 | C5 | H5 | 109.2° | 109.5° |
C5 | C6 | H6 | 109.8° | 109.5° |
C5 | C6 | H7 | 109.8° | 109.5° |
C14 | C13 | C15 | 119.3° | 120.0° |
C13 | C14 | H15 | 120.0° | 120.0° |
C13 | C14 | H16 | 120.0° | 120.0° |
C13 | C15 | H43 | 108.0° | 109.5° |
C13 | C15 | H44 | 108.0° | 109.5° |
C1 | OP | P | 118.7° | 123.0° |
OP | C1 | H36 | 109.1° | 109.5° |
OP | C1 | H37 | 109.1° | 109.4° |
C5 | C3 | H1 | 109.0° | 109.5° |
C3 | C5 | H4 | 109.2° | 109.5° |
C3 | C5 | H5 | 109.2° | 109.4° |
C29 | C28 | C27 | 121.0° | 120.0° |
C29 | C28 | C30 | 118.8° | 120.0° |
C28 | C29 | H27 | 120.0° | 120.0° |
C28 | C29 | H28 | 120.0° | 120.0° |
OP3 | P | OP | 109.6° | 109.4° |
OP3 | P | OP2 | 109.1° | 109.4° |
OP3 | P | O1' | 108.4° | 109.5° |
OP | P | OP2 | 109.5° | 109.4° |
OP | P | O1' | 110.3° | 109.5° |
C20 | C21 | C22 | 108.6° | 109.5° |
C21 | C20 | H24 | 109.5° | 109.5° |
C21 | C20 | H25 | 109.5° | 109.4° |
C20 | C21 | H45 | 109.7° | 109.5° |
C20 | C21 | H46 | 109.7° | 109.5° |
C21 | C22 | C23 | 121.1° | 109.5° |
C21 | C22 | H26 | 106.5° | 109.4° |
C22 | C21 | H45 | 109.7° | 109.4° |
C22 | C21 | H46 | 109.7° | 109.4° |
C21 | C22 | H23 | 106.5° | 109.5° |
OP2 | P | O1' | 109.9° | 109.5° |
P | OP2 | H35 | 109.5° | 114.0° |
P | O1' | H34 | 109.5° | 114.0° |
C25 | C26 | C27 | 108.8° | 109.5° |
C26 | C25 | C23 | 111.1° | 109.5° |
C26 | C25 | H50 | 109.1° | 109.5° |
C26 | C25 | H51 | 109.1° | 109.5° |
C25 | C26 | H52 | 109.6° | 109.5° |
C25 | C26 | H53 | 109.7° | 109.5° |
C26 | C27 | C28 | 122.0° | 109.5° |
C27 | C26 | H52 | 109.6° | 109.4° |
C27 | C26 | H53 | 109.6° | 109.5° |
C26 | C27 | H54 | 106.2° | 109.5° |
C26 | C27 | H29 | 106.3° | 109.5° |
C27 | C28 | C30 | 120.2° | 120.0° |
C28 | C27 | H54 | 106.3° | 109.5° |
C28 | C27 | H29 | 106.2° | 109.4° |
C28 | C30 | C31 | 111.6° | 109.4° |
C28 | C30 | H30 | 108.9° | 109.5° |
C28 | C30 | H31 | 108.9° | 109.5° |
C22 | C23 | C25 | 121.3° | 120.0° |
C22 | C23 | C24 | 118.9° | 120.0° |
C23 | C22 | H26 | 106.5° | 109.5° |
C23 | C22 | H23 | 106.5° | 109.5° |
C25 | C23 | C24 | 119.8° | 120.0° |
C23 | C25 | H50 | 109.0° | 109.4° |
C23 | C25 | H51 | 109.1° | 109.5° |
C30 | C31 | C32 | 109.4° | 109.5° |
C30 | C31 | H12 | 109.5° | 109.5° |
C30 | C31 | H13 | 109.5° | 109.5° |
C31 | C30 | H30 | 108.9° | 109.5° |
C31 | C30 | H31 | 108.9° | 109.5° |
C23 | C24 | H47 | 120.0° | 120.0° |
C23 | C24 | H48 | 120.0° | 120.0° |
C31 | C32 | C33 | 122.8° | 109.5° |
C32 | C31 | H12 | 109.5° | 109.5° |
C32 | C31 | H13 | 109.5° | 109.5° |
C31 | C32 | H55 | 106.0° | 109.5° |
C31 | C32 | H49 | 106.0° | 109.4° |
C40 | C38 | C39 | 119.1° | 120.0° |
C40 | C38 | C37 | 119.9° | 120.0° |
C38 | C40 | H67 | 109.5° | 109.4° |
C38 | C40 | H68 | 109.5° | 109.4° |
C38 | C40 | H69 | 109.5° | 109.4° |
C39 | C38 | C37 | 121.0° | 120.0° |
C38 | C39 | H64 | 120.0° | 120.0° |
C38 | C39 | H65 | 120.0° | 120.0° |
C32 | C33 | C35 | 121.6° | 120.0° |
C32 | C33 | C34 | 118.0° | 120.0° |
C33 | C32 | H55 | 106.1° | 109.5° |
C33 | C32 | H49 | 106.1° | 109.5° |
C38 | C37 | C36 | 120.3° | 109.5° |
C38 | C37 | H63 | 106.7° | 109.5° |
C38 | C37 | H58 | 106.7° | 109.5° |
C33 | C35 | C36 | 111.0° | 109.5° |
C35 | C33 | C34 | 120.4° | 120.0° |
C33 | C35 | H59 | 109.1° | 109.5° |
C33 | C35 | H60 | 109.1° | 109.4° |
C35 | C36 | C37 | 108.3° | 109.5° |
C36 | C35 | H59 | 109.1° | 109.5° |
C36 | C35 | H60 | 109.1° | 109.5° |
C35 | C36 | H61 | 109.8° | 109.5° |
C35 | C36 | H62 | 109.8° | 109.5° |
C33 | C34 | H56 | 120.0° | 120.0° |
C33 | C34 | H57 | 120.0° | 120.0° |
C37 | C36 | H61 | 109.8° | 109.5° |
C37 | C36 | H62 | 109.8° | 109.5° |
C36 | C37 | H63 | 106.7° | 109.5° |
C36 | C37 | H58 | 106.7° | 109.5° |
H2 | C2 | H3 | 109.4° | 109.5° |
H4 | C5 | H5 | 109.5° | 109.5° |
H6 | C6 | H7 | 109.5° | 109.5° |
H8 | C9 | H9 | 120.0° | 120.0° |
H11 | C7 | H10 | 109.5° | 109.5° |
H12 | C31 | H13 | 109.5° | 109.5° |
H14 | C12 | H70 | 109.5° | 109.4° |
H15 | C14 | H16 | 120.0° | 120.0° |
H18 | C16 | H19 | 109.5° | 109.5° |
H20 | C17 | H17 | 109.5° | 109.4° |
H21 | C19 | H22 | 120.0° | 120.0° |
H24 | C20 | H25 | 109.5° | 109.4° |
H26 | C22 | H23 | 109.5° | 109.5° |
H27 | C29 | H28 | 120.1° | 120.0° |
H30 | C30 | H31 | 109.5° | 109.5° |
H32 | C11 | H33 | 109.5° | 109.5° |
H36 | C1 | H37 | 109.5° | 109.5° |
H38 | C4 | H39 | 109.4° | 109.5° |
H38 | C4 | H40 | 109.5° | 109.5° |
H39 | C4 | H40 | 109.5° | 109.5° |
H41 | C10 | H42 | 109.5° | 109.5° |
H43 | C15 | H44 | 109.5° | 109.4° |
H45 | C21 | H46 | 109.5° | 109.4° |
H47 | C24 | H48 | 120.1° | 120.0° |
H50 | C25 | H51 | 109.4° | 109.4° |
H52 | C26 | H53 | 109.5° | 109.5° |
H54 | C27 | H29 | 109.5° | 109.4° |
H55 | C32 | H49 | 109.4° | 109.5° |
H56 | C34 | H57 | 120.0° | 120.0° |
H59 | C35 | H60 | 109.5° | 109.5° |
H61 | C36 | H62 | 109.5° | 109.5° |
H63 | C37 | H58 | 109.4° | 109.5° |
H64 | C39 | H65 | 120.0° | 120.0° |
H67 | C40 | H68 | 109.5° | 109.5° |
H67 | C40 | H69 | 109.4° | 109.5° |
H68 | C40 | H69 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | C8 | C10 | C11 | 32.3° | 95.0° |
C9 | C8 | C10 | C7 | 179.0° | 180.0° |
C9 | C8 | C7 | C6 | 0.5° | 95.0° |
C8 | C9 | H8 | H9 | 180.0° | 180.0° |
C9 | C8 | C7 | H11 | 122.3° | 25.0° |
C9 | C8 | C10 | H41 | 152.6° | 145.0° |
C9 | C8 | C10 | H42 | 88.0° | 25.0° |
C9 | C8 | C7 | H10 | 121.3° | 145.0° |
C10 | C11 | C12 | H32 | 119.3° | 119.9° |
C10 | C11 | C12 | H33 | 119.3° | 120.0° |
C11 | C10 | C8 | H41 | 120.3° | 120.0° |
C11 | C10 | C8 | H42 | 120.3° | 119.9° |
C11 | C10 | C8 | C7 | 148.7° | 85.1° |
C10 | C11 | C12 | C13 | 129.4° | 180.0° |
C10 | C11 | C12 | H14 | 108.9° | 59.9° |
C10 | C11 | H32 | H33 | 122.0° | 120.0° |
C11 | C10 | H41 | H42 | 119.1° | 119.9° |
C10 | C11 | C12 | H70 | 7.7° | 60.0° |
C12 | C11 | C10 | C8 | 164.2° | 180.0° |
C11 | C12 | C13 | H14 | 121.7° | 120.1° |
C11 | C12 | C13 | H70 | 121.7° | 120.0° |
C11 | C12 | C13 | C14 | 0.5° | 95.0° |
C11 | C12 | C13 | C15 | 179.1° | 84.9° |
C11 | C12 | H14 | H70 | 114.5° | 120.0° |
C12 | C11 | H32 | H33 | 122.0° | 120.0° |
C12 | C11 | C10 | H41 | 43.9° | 60.0° |
C12 | C11 | C10 | H42 | 75.6° | 60.0° |
C16 | C17 | C18 | H20 | 122.3° | 120.0° |
C16 | C17 | C18 | H17 | 122.3° | 120.0° |
C16 | C17 | C18 | C19 | 179.3° | 95.0° |
C17 | C16 | C15 | H18 | 120.6° | 120.0° |
C17 | C16 | C15 | H19 | 120.7° | 120.0° |
C16 | C17 | C18 | C20 | 0.9° | 85.0° |
C17 | C16 | C15 | C13 | 87.6° | 180.0° |
C17 | C16 | H18 | H19 | 118.0° | 120.0° |
C16 | C17 | H20 | H17 | 112.1° | 120.0° |
C17 | C16 | C15 | H43 | 151.6° | 60.0° |
C17 | C16 | C15 | H44 | 33.3° | 60.0° |
C17 | C18 | C19 | C20 | 179.8° | 180.0° |
C18 | C17 | C16 | C15 | 76.5° | 180.0° |
C17 | C18 | C20 | C21 | 86.4° | 85.0° |
C18 | C17 | C16 | H18 | 162.9° | 60.0° |
C18 | C17 | C16 | H19 | 44.2° | 60.0° |
C18 | C17 | H20 | H17 | 112.2° | 120.0° |
C17 | C18 | C19 | H21 | 179.8° | 180.0° |
C17 | C18 | C19 | H22 | 0.1° | 0.0° |
C17 | C18 | C20 | H24 | 153.7° | 35.0° |
C17 | C18 | C20 | H25 | 33.6° | 155.0° |
C19 | C18 | C20 | C21 | 93.8° | 95.0° |
C19 | C18 | C17 | H20 | 57.0° | 25.0° |
C18 | C19 | H21 | H22 | 180.0° | 180.0° |
C19 | C18 | C20 | H24 | 26.2° | 145.0° |
C19 | C18 | C20 | H25 | 146.2° | 25.0° |
C19 | C18 | C17 | H17 | 58.4° | 145.0° |
C10 | C8 | C7 | C6 | 179.5° | 85.0° |
C10 | C8 | C9 | H8 | 179.0° | 180.0° |
C10 | C8 | C9 | H9 | 1.0° | 0.0° |
C10 | C8 | C7 | H11 | 58.7° | 155.0° |
C8 | C10 | C11 | H32 | 44.9° | 60.1° |
C8 | C10 | C11 | H33 | 76.5° | 60.0° |
C8 | C10 | H41 | H42 | 119.1° | 120.1° |
C10 | C8 | C7 | H10 | 57.7° | 35.0° |
C8 | C7 | C6 | H11 | 121.8° | 119.9° |
C8 | C7 | C6 | H10 | 121.8° | 120.0° |
C8 | C7 | C6 | C5 | 179.8° | 180.0° |
C8 | C7 | C6 | H6 | 60.4° | 60.0° |
C8 | C7 | C6 | H7 | 59.9° | 60.0° |
C7 | C8 | C9 | H8 | 0.0° | 0.0° |
C7 | C8 | C9 | H9 | 180.0° | 179.9° |
C8 | C7 | H11 | H10 | 114.1° | 120.0° |
C7 | C8 | C10 | H41 | 28.4° | 35.0° |
C7 | C8 | C10 | H42 | 91.0° | 155.0° |
C12 | C13 | C15 | C16 | 63.7° | 85.0° |
C12 | C13 | C14 | C15 | 178.6° | 180.0° |
C13 | C12 | H14 | H70 | 114.5° | 120.0° |
C12 | C13 | C14 | H15 | 178.6° | 179.9° |
C12 | C13 | C14 | H16 | 1.4° | 0.0° |
C13 | C12 | C11 | H32 | 10.1° | 60.1° |
C13 | C12 | C11 | H33 | 111.3° | 60.0° |
C12 | C13 | C15 | H43 | 175.4° | 155.0° |
C12 | C13 | C15 | H44 | 57.1° | 35.0° |
C16 | C15 | C13 | C14 | 117.7° | 95.0° |
C16 | C15 | C13 | H43 | 120.9° | 120.0° |
C16 | C15 | C13 | H44 | 120.8° | 120.0° |
C15 | C16 | H18 | H19 | 118.0° | 120.0° |
C15 | C16 | C17 | H20 | 161.1° | 60.0° |
C16 | C15 | H43 | H44 | 117.4° | 120.0° |
C15 | C16 | C17 | H17 | 45.8° | 60.0° |
C1 | C2 | C3 | H2 | 120.2° | 120.0° |
C1 | C2 | C3 | H3 | 120.2° | 120.0° |
C1 | C2 | C3 | C4 | 156.9° | 65.0° |
C2 | C1 | OP | H36 | 120.2° | 120.0° |
C2 | C1 | OP | H37 | 120.2° | 120.0° |
C1 | C2 | C3 | C5 | 82.3° | 175.0° |
C2 | C1 | OP | P | 161.7° | 180.0° |
C1 | C2 | C3 | H1 | 37.3° | 55.0° |
C1 | C2 | H2 | H3 | 119.4° | 120.0° |
C2 | C1 | H36 | H37 | 119.3° | 120.0° |
C2 | C3 | C4 | C5 | 120.6° | 120.0° |
C2 | C3 | C4 | H1 | 119.5° | 120.0° |
C2 | C3 | C5 | C6 | 55.1° | 175.0° |
C3 | C2 | C1 | OP | 77.1° | 180.0° |
C2 | C3 | C5 | H1 | 119.7° | 120.0° |
C3 | C2 | H2 | H3 | 119.4° | 120.0° |
C2 | C3 | C5 | H4 | 65.1° | 55.0° |
C2 | C3 | C5 | H5 | 175.3° | 65.0° |
C3 | C2 | C1 | H36 | 162.7° | 60.0° |
C3 | C2 | C1 | H37 | 43.2° | 60.1° |
C2 | C3 | C4 | H38 | 180.0° | 60.0° |
C2 | C3 | C4 | H39 | 60.0° | 60.0° |
C2 | C3 | C4 | H40 | 60.0° | 180.0° |
C4 | C3 | C5 | C6 | 65.1° | 65.0° |
C4 | C3 | C5 | H1 | 120.1° | 120.0° |
C4 | C3 | C2 | H2 | 82.9° | 55.0° |
C4 | C3 | C2 | H3 | 36.6° | 175.0° |
C4 | C3 | C5 | H4 | 174.7° | 175.0° |
C4 | C3 | C5 | H5 | 55.1° | 55.0° |
C3 | C4 | H38 | H39 | 120.0° | 120.0° |
C3 | C4 | H38 | H40 | 120.0° | 120.0° |
C3 | C4 | H39 | H40 | 120.0° | 120.0° |
C18 | C20 | C21 | H24 | 120.0° | 120.1° |
C18 | C20 | C21 | H25 | 120.0° | 120.0° |
C18 | C20 | C21 | C22 | 165.5° | 180.0° |
C20 | C18 | C17 | H20 | 123.2° | 155.0° |
C20 | C18 | C19 | H21 | 0.0° | 0.0° |
C20 | C18 | C19 | H22 | 180.0° | 180.0° |
C18 | C20 | H24 | H25 | 120.1° | 120.0° |
C18 | C20 | C21 | H45 | 45.7° | 60.0° |
C18 | C20 | C21 | H46 | 74.6° | 60.0° |
C20 | C18 | C17 | H17 | 121.5° | 35.0° |
C7 | C6 | C5 | H6 | 119.8° | 120.0° |
C7 | C6 | C5 | H7 | 119.8° | 120.0° |
C7 | C6 | C5 | C3 | 118.2° | 180.0° |
C7 | C6 | C5 | H4 | 121.7° | 60.0° |
C7 | C6 | C5 | H5 | 2.0° | 60.0° |
C7 | C6 | H6 | H7 | 120.6° | 120.0° |
C6 | C7 | H11 | H10 | 114.1° | 120.0° |
C6 | C5 | C3 | H4 | 120.2° | 120.0° |
C6 | C5 | C3 | H5 | 120.2° | 120.0° |
C6 | C5 | C3 | H1 | 174.8° | 55.0° |
C6 | C5 | H4 | H5 | 119.5° | 120.0° |
C5 | C6 | H6 | H7 | 120.6° | 120.0° |
C5 | C6 | C7 | H11 | 57.9° | 60.0° |
C5 | C6 | C7 | H10 | 58.4° | 60.0° |
C14 | C13 | C12 | H14 | 122.1° | 25.0° |
C13 | C14 | H15 | H16 | 180.0° | 179.9° |
C14 | C13 | C15 | H43 | 3.2° | 25.0° |
C14 | C13 | C15 | H44 | 121.5° | 145.0° |
C14 | C13 | C12 | H70 | 121.2° | 145.0° |
C15 | C13 | C12 | H14 | 59.3° | 155.0° |
C15 | C13 | C14 | H15 | 0.0° | 0.0° |
C15 | C13 | C14 | H16 | 180.0° | 179.9° |
C13 | C15 | C16 | H18 | 33.1° | 60.0° |
C13 | C15 | C16 | H19 | 151.8° | 60.0° |
C13 | C15 | H43 | H44 | 117.4° | 120.0° |
C15 | C13 | C12 | H70 | 57.4° | 35.0° |
C1 | OP | P | OP3 | 127.0° | 55.1° |
C1 | OP | P | OP2 | 7.3° | 175.0° |
C1 | OP | P | O1' | 113.8° | 65.0° |
OP | C1 | C2 | H2 | 162.7° | 60.0° |
OP | C1 | C2 | H3 | 43.2° | 60.0° |
OP | C1 | H36 | H37 | 119.3° | 120.0° |
C5 | C3 | C2 | H2 | 37.9° | 65.0° |
C5 | C3 | C2 | H3 | 157.5° | 55.0° |
C3 | C5 | H4 | H5 | 119.5° | 120.0° |
C3 | C5 | C6 | H6 | 1.6° | 60.0° |
C3 | C5 | C6 | H7 | 122.0° | 60.0° |
C5 | C3 | C4 | H38 | 59.3° | 60.0° |
C5 | C3 | C4 | H39 | 60.6° | 180.0° |
C5 | C3 | C4 | H40 | 179.4° | 60.0° |
C29 | C28 | C27 | C26 | 0.6° | 94.9° |
C29 | C28 | C27 | C30 | 179.7° | 179.9° |
C29 | C28 | C30 | C31 | 133.3° | 95.0° |
C28 | C29 | H27 | H28 | 180.0° | 179.9° |
C29 | C28 | C30 | H30 | 13.0° | 24.9° |
C29 | C28 | C30 | H31 | 106.4° | 144.9° |
C29 | C28 | C27 | H54 | 121.1° | 145.0° |
C29 | C28 | C27 | H29 | 122.3° | 25.1° |
OP3 | P | OP | OP2 | 119.7° | 119.9° |
OP3 | P | OP | O1' | 119.3° | 120.0° |
OP3 | P | OP2 | O1' | 118.7° | 120.1° |
OP3 | P | O1' | H34 | 0.0° | 180.0° |
OP3 | P | OP2 | H35 | 0.0° | 60.1° |
OP | P | OP2 | O1' | 121.3° | 120.0° |
OP | P | O1' | H34 | 120.0° | 60.0° |
OP | P | OP2 | H35 | 120.0° | 180.0° |
P | OP | C1 | H36 | 41.5° | 60.0° |
P | OP | C1 | H37 | 78.1° | 60.1° |
C20 | C21 | C22 | H45 | 119.8° | 120.1° |
C20 | C21 | C22 | H46 | 119.9° | 120.0° |
C20 | C21 | C22 | C23 | 98.6° | 180.0° |
C21 | C20 | H24 | H25 | 120.1° | 120.0° |
C20 | C21 | C22 | H26 | 23.0° | 60.0° |
C20 | C21 | H45 | H46 | 120.4° | 120.1° |
C20 | C21 | C22 | H23 | 139.7° | 60.0° |
C21 | C22 | C23 | H26 | 121.6° | 119.9° |
C21 | C22 | C23 | H23 | 121.6° | 120.0° |
C21 | C22 | C23 | C25 | 0.9° | 85.0° |
C21 | C22 | C23 | C24 | 179.9° | 95.0° |
C22 | C21 | C20 | H24 | 74.5° | 60.0° |
C22 | C21 | C20 | H25 | 45.6° | 60.0° |
C21 | C22 | H26 | H23 | 114.7° | 120.0° |
C22 | C21 | H45 | H46 | 120.5° | 119.9° |
OP2 | P | O1' | H34 | 119.1° | 60.0° |
O1' | P | OP2 | H35 | 118.7° | 60.0° |
C25 | C26 | C27 | H52 | 119.9° | 120.0° |
C25 | C26 | C27 | H53 | 119.9° | 120.0° |
C25 | C26 | C27 | C28 | 140.8° | 180.0° |
C26 | C25 | C23 | C22 | 93.7° | 84.9° |
C26 | C25 | C23 | H50 | 120.3° | 120.0° |
C26 | C25 | C23 | H51 | 120.3° | 120.0° |
C26 | C25 | C23 | C24 | 87.1° | 95.0° |
C26 | C25 | H50 | H51 | 119.2° | 120.0° |
C25 | C26 | H52 | H53 | 120.3° | 120.0° |
C25 | C26 | C27 | H54 | 19.1° | 60.0° |
C25 | C26 | C27 | H29 | 97.5° | 60.0° |
C26 | C27 | C28 | H54 | 121.7° | 120.1° |
C26 | C27 | C28 | H29 | 121.7° | 120.0° |
C26 | C27 | C28 | C30 | 179.7° | 85.0° |
C27 | C26 | C25 | C23 | 119.1° | 180.0° |
C27 | C26 | C25 | H50 | 1.2° | 60.0° |
C27 | C26 | C25 | H51 | 120.7° | 60.0° |
C27 | C26 | H52 | H53 | 120.3° | 120.0° |
C26 | C27 | H54 | H29 | 114.3° | 120.0° |
C27 | C28 | C30 | C31 | 47.0° | 85.1° |
C27 | C28 | C29 | H27 | 179.7° | 180.0° |
C27 | C28 | C29 | H28 | 0.3° | 0.1° |
C27 | C28 | C30 | H30 | 167.3° | 155.0° |
C27 | C28 | C30 | H31 | 73.4° | 34.9° |
C28 | C27 | C26 | H52 | 99.3° | 60.0° |
C28 | C27 | C26 | H53 | 20.9° | 60.0° |
C28 | C27 | H54 | H29 | 114.3° | 119.9° |
C28 | C30 | C31 | H30 | 120.3° | 119.9° |
C28 | C30 | C31 | H31 | 120.3° | 120.0° |
C28 | C30 | C31 | C32 | 96.9° | 180.0° |
C28 | C30 | C31 | H12 | 23.1° | 60.0° |
C28 | C30 | C31 | H13 | 143.2° | 60.0° |
C30 | C28 | C29 | H27 | 0.0° | 0.1° |
C30 | C28 | C29 | H28 | 180.0° | 180.0° |
C28 | C30 | H30 | H31 | 119.0° | 120.0° |
C30 | C28 | C27 | H54 | 58.6° | 35.1° |
C30 | C28 | C27 | H29 | 58.0° | 155.0° |
C22 | C23 | C25 | C24 | 179.2° | 179.9° |
C23 | C22 | H26 | H23 | 114.8° | 120.1° |
C23 | C22 | C21 | H45 | 141.5° | 60.0° |
C23 | C22 | C21 | H46 | 21.2° | 60.0° |
C22 | C23 | C24 | H47 | 179.2° | 180.0° |
C22 | C23 | C24 | H48 | 0.8° | 0.1° |
C22 | C23 | C25 | H50 | 146.0° | 35.1° |
C22 | C23 | C25 | H51 | 26.5° | 155.0° |
C25 | C23 | C22 | H26 | 120.7° | 34.9° |
C25 | C23 | C24 | H47 | 0.0° | 0.0° |
C25 | C23 | C24 | H48 | 180.0° | 180.0° |
C23 | C25 | H50 | H51 | 119.2° | 120.0° |
C23 | C25 | C26 | H52 | 0.8° | 60.0° |
C23 | C25 | C26 | H53 | 121.0° | 60.0° |
C25 | C23 | C22 | H23 | 122.5° | 155.0° |
C30 | C31 | C32 | H12 | 120.0° | 120.0° |
C30 | C31 | C32 | H13 | 120.0° | 120.0° |
C30 | C31 | C32 | C33 | 101.0° | 180.0° |
C30 | C31 | H12 | H13 | 120.0° | 120.0° |
C31 | C30 | H30 | H31 | 119.0° | 120.0° |
C30 | C31 | C32 | H55 | 20.9° | 60.0° |
C30 | C31 | C32 | H49 | 137.2° | 60.0° |
C24 | C23 | C22 | H26 | 58.5° | 145.0° |
C23 | C24 | H47 | H48 | 180.0° | 180.0° |
C24 | C23 | C25 | H50 | 33.2° | 145.0° |
C24 | C23 | C25 | H51 | 152.6° | 25.0° |
C24 | C23 | C22 | H23 | 58.3° | 24.9° |
C31 | C32 | C33 | H55 | 121.9° | 120.0° |
C31 | C32 | C33 | H49 | 121.8° | 120.0° |
C31 | C32 | C33 | C35 | 0.8° | 85.0° |
C31 | C32 | C33 | C34 | 179.7° | 95.0° |
C32 | C31 | H12 | H13 | 120.0° | 120.0° |
C32 | C31 | C30 | H30 | 142.8° | 60.1° |
C32 | C31 | C30 | H31 | 23.5° | 60.0° |
C31 | C32 | H55 | H49 | 114.0° | 120.0° |
C40 | C38 | C39 | C37 | 179.6° | 180.0° |
C40 | C38 | C37 | C36 | 179.9° | 85.0° |
C40 | C38 | C37 | H63 | 58.6° | 155.0° |
C40 | C38 | C39 | H64 | 179.6° | 180.0° |
C40 | C38 | C39 | H65 | 0.3° | 0.0° |
C38 | C40 | H67 | H68 | 120.0° | 120.0° |
C38 | C40 | H67 | H69 | 120.0° | 120.0° |
C38 | C40 | H68 | H69 | 120.0° | 120.0° |
C40 | C38 | C37 | H58 | 58.4° | 35.0° |
C39 | C38 | C37 | C36 | 0.3° | 95.0° |
C39 | C38 | C37 | H63 | 121.8° | 25.0° |
C38 | C39 | H64 | H65 | 180.0° | 180.0° |
C39 | C38 | C40 | H67 | 180.0° | 90.0° |
C39 | C38 | C40 | H68 | 60.0° | 30.0° |
C39 | C38 | C40 | H69 | 60.0° | 150.1° |
C39 | C38 | C37 | H58 | 121.3° | 145.0° |
C32 | C33 | C35 | C34 | 178.9° | 180.0° |
C32 | C33 | C35 | C36 | 97.6° | 85.0° |
C33 | C32 | C31 | H12 | 139.1° | 60.0° |
C33 | C32 | C31 | H13 | 19.0° | 60.0° |
C33 | C32 | H55 | H49 | 114.0° | 120.0° |
C32 | C33 | C34 | H56 | 178.9° | 180.0° |
C32 | C33 | C34 | H57 | 1.1° | 0.0° |
C32 | C33 | C35 | H59 | 22.6° | 35.0° |
C32 | C33 | C35 | H60 | 142.2° | 155.0° |
C38 | C37 | C36 | C35 | 102.7° | 180.0° |
C38 | C37 | C36 | H63 | 121.5° | 120.0° |
C38 | C37 | C36 | H58 | 121.5° | 120.0° |
C38 | C37 | C36 | H61 | 137.5° | 60.0° |
C38 | C37 | C36 | H62 | 17.1° | 60.0° |
C38 | C37 | H63 | H58 | 115.1° | 120.0° |
C37 | C38 | C39 | H64 | 0.0° | 0.1° |
C37 | C38 | C39 | H65 | 180.0° | 180.0° |
C37 | C38 | C40 | H67 | 0.3° | 90.0° |
C37 | C38 | C40 | H68 | 120.4° | 150.0° |
C37 | C38 | C40 | H69 | 119.6° | 30.0° |
C33 | C35 | C36 | H59 | 120.2° | 120.0° |
C33 | C35 | C36 | H60 | 120.2° | 120.0° |
C33 | C35 | C36 | C37 | 162.2° | 180.0° |
C35 | C33 | C32 | H55 | 121.0° | 155.0° |
C35 | C33 | C34 | H56 | 0.0° | 0.1° |
C35 | C33 | C34 | H57 | 180.0° | 180.0° |
C33 | C35 | H59 | H60 | 119.3° | 120.0° |
C33 | C35 | C36 | H61 | 78.0° | 60.0° |
C33 | C35 | C36 | H62 | 42.4° | 60.0° |
C35 | C33 | C32 | H49 | 122.7° | 34.9° |
C36 | C35 | C33 | C34 | 83.5° | 95.0° |
C35 | C36 | C37 | H61 | 119.8° | 120.0° |
C35 | C36 | C37 | H62 | 119.8° | 120.0° |
C36 | C35 | H59 | H60 | 119.3° | 120.0° |
C35 | C36 | H61 | H62 | 120.6° | 120.0° |
C35 | C36 | C37 | H63 | 135.8° | 60.0° |
C35 | C36 | C37 | H58 | 18.8° | 60.0° |
C34 | C33 | C32 | H55 | 57.9° | 25.0° |
C33 | C34 | H56 | H57 | 180.0° | 180.0° |
C34 | C33 | C35 | H59 | 156.2° | 145.0° |
C34 | C33 | C35 | H60 | 36.7° | 25.0° |
C34 | C33 | C32 | H49 | 58.4° | 145.0° |
C37 | C36 | C35 | H59 | 42.0° | 60.0° |
C37 | C36 | C35 | H60 | 77.6° | 60.0° |
C37 | C36 | H61 | H62 | 120.5° | 120.0° |
C36 | C37 | H63 | H58 | 115.1° | 120.0° |
H1 | C3 | C2 | H2 | 157.5° | 175.0° |
H1 | C3 | C2 | H3 | 82.9° | 65.0° |
H1 | C3 | C5 | H4 | 54.7° | 65.0° |
H1 | C3 | C5 | H5 | 65.0° | 175.0° |
H1 | C3 | C4 | H38 | 60.5° | NaN° |
H1 | C3 | C4 | H39 | 179.5° | 60.0° |
H1 | C3 | C4 | H40 | 59.5° | 60.0° |
H2 | C2 | C1 | H36 | 42.5° | 179.9° |
H2 | C2 | C1 | H37 | 77.0° | 60.0° |
H3 | C2 | C1 | H36 | 77.1° | 60.0° |
H3 | C2 | C1 | H37 | 163.4° | 179.9° |
H4 | C5 | C6 | H6 | 118.5° | 180.0° |
H4 | C5 | C6 | H7 | 1.9° | 60.0° |
H5 | C5 | C6 | H6 | 121.8° | 60.0° |
H5 | C5 | C6 | H7 | 117.8° | 180.0° |
H6 | C6 | C7 | H11 | 177.7° | 180.0° |
H6 | C6 | C7 | H10 | 61.4° | 60.0° |
H7 | C6 | C7 | H11 | 61.9° | 60.0° |
H7 | C6 | C7 | H10 | 178.2° | NaN° |
H12 | C31 | C30 | H30 | 97.2° | 60.0° |
H12 | C31 | C30 | H31 | 143.4° | 180.0° |
H12 | C31 | C32 | H55 | 99.1° | 180.0° |
H12 | C31 | C32 | H49 | 17.2° | 60.0° |
H13 | C31 | C30 | H30 | 22.8° | 179.9° |
H13 | C31 | C30 | H31 | 96.5° | 60.0° |
H13 | C31 | C32 | H55 | 140.9° | 60.0° |
H13 | C31 | C32 | H49 | 102.8° | 180.0° |
H14 | C12 | C11 | H32 | 131.7° | 60.0° |
H14 | C12 | C11 | H33 | 10.4° | 180.0° |
H18 | C16 | C17 | H20 | 40.5° | 60.0° |
H18 | C16 | C15 | H43 | 87.8° | 179.9° |
H18 | C16 | C15 | H44 | 153.9° | 60.0° |
H18 | C16 | C17 | H17 | 74.8° | 180.0° |
H19 | C16 | C17 | H20 | 78.2° | 180.0° |
H19 | C16 | C15 | H43 | 30.9° | 60.0° |
H19 | C16 | C15 | H44 | 87.4° | 180.0° |
H19 | C16 | C17 | H17 | 166.5° | 60.0° |
H24 | C20 | C21 | H45 | 165.6° | 180.0° |
H24 | C20 | C21 | H46 | 45.4° | 60.0° |
H25 | C20 | C21 | H45 | 74.3° | 60.0° |
H25 | C20 | C21 | H46 | 165.5° | 180.0° |
H26 | C22 | C21 | H45 | 96.8° | 60.1° |
H26 | C22 | C21 | H46 | 142.9° | 180.0° |
H32 | C11 | C10 | H41 | 75.5° | 60.0° |
H32 | C11 | C10 | H42 | 165.1° | 179.9° |
H32 | C11 | C12 | H70 | 111.6° | 179.9° |
H33 | C11 | C10 | H41 | 163.1° | 180.0° |
H33 | C11 | C10 | H42 | 43.7° | 60.0° |
H33 | C11 | C12 | H70 | 127.0° | 60.0° |
H38 | C4 | H39 | H40 | 120.0° | 120.0° |
H45 | C21 | C22 | H23 | 19.9° | 180.0° |
H46 | C21 | C22 | H23 | 100.4° | 60.0° |
H50 | C25 | C26 | H52 | 121.1° | 180.0° |
H50 | C25 | C26 | H53 | 118.7° | 60.0° |
H51 | C25 | C26 | H52 | 119.4° | 60.0° |
H51 | C25 | C26 | H53 | 0.8° | 180.0° |
H52 | C26 | C27 | H54 | 138.9° | 60.0° |
H52 | C26 | C27 | H29 | 22.4° | 180.0° |
H53 | C26 | C27 | H54 | 100.9° | 180.0° |
H53 | C26 | C27 | H29 | 142.6° | 60.0° |
H59 | C35 | C36 | H61 | 161.7° | 180.0° |
H59 | C35 | C36 | H62 | 77.9° | 60.0° |
H60 | C35 | C36 | H61 | 42.2° | 60.0° |
H60 | C35 | C36 | H62 | 162.6° | 180.0° |
H61 | C36 | C37 | H63 | 16.0° | NaN° |
H61 | C36 | C37 | H58 | 101.0° | 60.0° |
H62 | C36 | C37 | H63 | 104.4° | 60.0° |
H62 | C36 | C37 | H58 | 138.7° | 180.0° |
H67 | C40 | H68 | H69 | 120.0° | 120.1° |