46E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3E | C3D | sing | 1.53Å | 1.52Å | |
C3D | C3C | sing | 1.53Å | 1.53Å | |
C3C | C3B | sing | 1.53Å | 1.54Å | |
C2D | C2E | sing | 1.53Å | 1.53Å | |
C2D | C2C | sing | 1.53Å | 1.53Å | |
C3B | C3A | sing | 1.53Å | 1.52Å | |
C2A | C2B | sing | 1.53Å | 1.53Å | |
C2A | C29 | sing | 1.53Å | 1.53Å | |
C2C | C2B | sing | 1.53Å | 1.53Å | |
C3A | C39 | sing | 1.53Å | 1.53Å | |
C28 | C29 | sing | 1.53Å | 1.53Å | |
C28 | C27 | sing | 1.53Å | 1.53Å | |
C27 | C26 | sing | 1.53Å | 1.53Å | |
C39 | C38 | sing | 1.53Å | 1.53Å | |
C38 | C37 | sing | 1.53Å | 1.53Å | |
C26 | C25 | sing | 1.53Å | 1.53Å | |
C25 | C24 | sing | 1.53Å | 1.53Å | |
C37 | C36 | sing | 1.53Å | 1.53Å | |
C36 | C35 | sing | 1.53Å | 1.53Å | |
C24 | C23 | sing | 1.53Å | 1.53Å | |
C23 | C22 | sing | 1.53Å | 1.53Å | |
C35 | C34 | sing | 1.53Å | 1.53Å | |
C34 | C33 | sing | 1.53Å | 1.53Å | |
C22 | C21 | sing | 1.51Å | 1.52Å | |
O22 | C21 | doub | 1.21Å | 1.21Å | |
C21 | O21 | sing | 1.34Å | 1.46Å | |
C33 | C32 | sing | 1.53Å | 1.53Å | |
O21 | C2 | sing | 1.45Å | 1.43Å | |
O31 | C3 | sing | 1.45Å | 1.44Å | |
O31 | C31 | sing | 1.34Å | 1.46Å | |
C32 | C31 | sing | 1.51Å | 1.51Å | |
C3 | C2 | sing | 1.53Å | 1.54Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C31 | O32 | doub | 1.21Å | 1.23Å | |
N | C12 | sing | 1.47Å | 1.49Å | |
C1 | O11 | sing | 1.43Å | 1.43Å | |
O11 | P | sing | 1.61Å | 1.62Å | |
C12 | C11 | sing | 1.53Å | 1.52Å | |
O13 | C11 | sing | 1.43Å | 1.44Å | |
O13 | P | sing | 1.61Å | 1.63Å | |
P | O12 | doub | 1.48Å | 1.51Å | |
P | O14 | sing | 1.61Å | 1.52Å | |
N | H1 | sing | 1.01Å | 1.00Å | |
N | H2 | sing | 1.01Å | 1.00Å | |
O14 | H4 | sing | 0.97Å | 0.95Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C11 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
C1 | H10 | sing | 1.09Å | 1.10Å | |
C2 | H11 | sing | 1.09Å | 1.10Å | |
C3 | H12 | sing | 1.09Å | 1.10Å | |
C3 | H13 | sing | 1.09Å | 1.10Å | |
C32 | H14 | sing | 1.09Å | 1.10Å | |
C32 | H15 | sing | 1.09Å | 1.10Å | |
C33 | H16 | sing | 1.09Å | 1.10Å | |
C33 | H17 | sing | 1.09Å | 1.10Å | |
C34 | H18 | sing | 1.09Å | 1.10Å | |
C34 | H19 | sing | 1.09Å | 1.10Å | |
C35 | H20 | sing | 1.09Å | 1.10Å | |
C35 | H21 | sing | 1.09Å | 1.10Å | |
C36 | H22 | sing | 1.09Å | 1.10Å | |
C36 | H23 | sing | 1.09Å | 1.10Å | |
C37 | H24 | sing | 1.09Å | 1.10Å | |
C37 | H25 | sing | 1.09Å | 1.10Å | |
C38 | H26 | sing | 1.09Å | 1.10Å | |
C38 | H27 | sing | 1.09Å | 1.10Å | |
C39 | H28 | sing | 1.09Å | 1.10Å | |
C39 | H29 | sing | 1.09Å | 1.10Å | |
C3A | H30 | sing | 1.09Å | 1.10Å | |
C3A | H31 | sing | 1.09Å | 1.10Å | |
C3B | H32 | sing | 1.09Å | 1.10Å | |
C3B | H33 | sing | 1.09Å | 1.10Å | |
C3C | H34 | sing | 1.09Å | 1.10Å | |
C3C | H35 | sing | 1.09Å | 1.10Å | |
C3D | H36 | sing | 1.09Å | 1.10Å | |
C3D | H37 | sing | 1.09Å | 1.10Å | |
C3E | H38 | sing | 1.09Å | 1.10Å | |
C3E | H39 | sing | 1.09Å | 1.10Å | |
C3E | H40 | sing | 1.09Å | 1.10Å | |
C22 | H41 | sing | 1.09Å | 1.10Å | |
C22 | H42 | sing | 1.09Å | 1.10Å | |
C23 | H43 | sing | 1.09Å | 1.10Å | |
C23 | H44 | sing | 1.09Å | 1.10Å | |
C24 | H45 | sing | 1.09Å | 1.10Å | |
C24 | H46 | sing | 1.09Å | 1.10Å | |
C25 | H47 | sing | 1.09Å | 1.10Å | |
C25 | H48 | sing | 1.09Å | 1.10Å | |
C26 | H49 | sing | 1.09Å | 1.10Å | |
C26 | H50 | sing | 1.09Å | 1.10Å | |
C27 | H51 | sing | 1.09Å | 1.10Å | |
C27 | H52 | sing | 1.09Å | 1.10Å | |
C28 | H53 | sing | 1.09Å | 1.10Å | |
C28 | H54 | sing | 1.09Å | 1.10Å | |
C29 | H55 | sing | 1.09Å | 1.10Å | |
C29 | H56 | sing | 1.09Å | 1.10Å | |
C2A | H57 | sing | 1.09Å | 1.10Å | |
C2A | H58 | sing | 1.09Å | 1.10Å | |
C2B | H59 | sing | 1.09Å | 1.10Å | |
C2B | H60 | sing | 1.09Å | 1.10Å | |
C2C | H61 | sing | 1.09Å | 1.10Å | |
C2C | H62 | sing | 1.09Å | 1.10Å | |
C2D | H63 | sing | 1.09Å | 1.10Å | |
C2D | H64 | sing | 1.09Å | 1.10Å | |
C2E | H65 | sing | 1.09Å | 1.10Å | |
C2E | H66 | sing | 1.09Å | 1.10Å | |
C2E | H67 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3E | C3D | C3C | 111.9° | 109.4° |
C3E | C3D | H36 | 108.9° | 109.5° |
C3E | C3D | H37 | 108.8° | 109.5° |
C3D | C3E | H38 | 109.5° | 109.5° |
C3D | C3E | H39 | 109.5° | 109.5° |
C3D | C3E | H40 | 109.5° | 109.5° |
C3D | C3C | C3B | 110.9° | 109.4° |
C3D | C3C | H34 | 109.1° | 109.5° |
C3D | C3C | H35 | 109.1° | 109.5° |
C3C | C3D | H36 | 108.9° | 109.5° |
C3C | C3D | H37 | 108.9° | 109.5° |
C3C | C3B | C3A | 112.7° | 109.5° |
C3C | C3B | H32 | 108.7° | 109.5° |
C3C | C3B | H33 | 108.6° | 109.5° |
C3B | C3C | H34 | 109.1° | 109.5° |
C3B | C3C | H35 | 109.1° | 109.4° |
C2E | C2D | C2C | 113.9° | 109.5° |
C2E | C2D | H63 | 108.4° | 109.5° |
C2E | C2D | H64 | 108.3° | 109.5° |
C2D | C2E | H65 | 109.5° | 109.5° |
C2D | C2E | H66 | 109.5° | 109.5° |
C2D | C2E | H67 | 109.5° | 109.4° |
C2D | C2C | C2B | 110.9° | 109.5° |
C2D | C2C | H61 | 109.1° | 109.5° |
C2D | C2C | H62 | 109.1° | 109.5° |
C2C | C2D | H63 | 108.4° | 109.5° |
C2C | C2D | H64 | 108.4° | 109.4° |
C3B | C3A | C39 | 112.8° | 109.5° |
C3B | C3A | H30 | 108.6° | 109.5° |
C3B | C3A | H31 | 108.6° | 109.5° |
C3A | C3B | H32 | 108.7° | 109.5° |
C3A | C3B | H33 | 108.7° | 109.5° |
C2B | C2A | C29 | 111.8° | 109.4° |
C2A | C2B | C2C | 114.3° | 109.4° |
C2B | C2A | H57 | 108.9° | 109.5° |
C2B | C2A | H58 | 108.9° | 109.5° |
C2A | C2B | H59 | 108.2° | 109.4° |
C2A | C2B | H60 | 108.2° | 109.5° |
C2A | C29 | C28 | 111.3° | 109.4° |
C2A | C29 | H55 | 109.0° | 109.5° |
C2A | C29 | H56 | 109.0° | 109.5° |
C29 | C2A | H57 | 108.9° | 109.5° |
C29 | C2A | H58 | 108.9° | 109.5° |
C2C | C2B | H59 | 108.3° | 109.5° |
C2C | C2B | H60 | 108.3° | 109.5° |
C2B | C2C | H61 | 109.1° | 109.5° |
C2B | C2C | H62 | 109.1° | 109.5° |
C3A | C39 | C38 | 110.0° | 109.4° |
C3A | C39 | H28 | 109.3° | 109.4° |
C3A | C39 | H29 | 109.4° | 109.5° |
C39 | C3A | H30 | 108.6° | 109.4° |
C39 | C3A | H31 | 108.7° | 109.5° |
C29 | C28 | C27 | 112.9° | 109.5° |
C29 | C28 | H53 | 108.6° | 109.5° |
C29 | C28 | H54 | 108.6° | 109.5° |
C28 | C29 | H55 | 109.0° | 109.4° |
C28 | C29 | H56 | 109.0° | 109.4° |
C28 | C27 | C26 | 112.2° | 109.5° |
C28 | C27 | H51 | 108.8° | 109.5° |
C28 | C27 | H52 | 108.8° | 109.5° |
C27 | C28 | H53 | 108.6° | 109.5° |
C27 | C28 | H54 | 108.6° | 109.5° |
C27 | C26 | C25 | 113.3° | 109.5° |
C27 | C26 | H49 | 108.5° | 109.5° |
C27 | C26 | H50 | 108.5° | 109.5° |
C26 | C27 | H51 | 108.8° | 109.5° |
C26 | C27 | H52 | 108.8° | 109.5° |
C39 | C38 | C37 | 114.8° | 109.4° |
C39 | C38 | H26 | 108.1° | 109.5° |
C39 | C38 | H27 | 108.1° | 109.5° |
C38 | C39 | H28 | 109.3° | 109.5° |
C38 | C39 | H29 | 109.3° | 109.5° |
C38 | C37 | C36 | 110.9° | 109.5° |
C38 | C37 | H24 | 109.1° | 109.5° |
C38 | C37 | H25 | 109.1° | 109.5° |
C37 | C38 | H26 | 108.2° | 109.5° |
C37 | C38 | H27 | 108.1° | 109.4° |
C26 | C25 | C24 | 113.0° | 109.5° |
C26 | C25 | H47 | 108.6° | 109.4° |
C26 | C25 | H48 | 108.6° | 109.4° |
C25 | C26 | H49 | 108.5° | 109.4° |
C25 | C26 | H50 | 108.5° | 109.4° |
C25 | C24 | C23 | 111.1° | 109.5° |
C25 | C24 | H45 | 109.1° | 109.5° |
C25 | C24 | H46 | 109.0° | 109.5° |
C24 | C25 | H47 | 108.6° | 109.5° |
C24 | C25 | H48 | 108.5° | 109.5° |
C37 | C36 | C35 | 113.6° | 109.5° |
C37 | C36 | H22 | 108.4° | 109.5° |
C37 | C36 | H23 | 108.4° | 109.5° |
C36 | C37 | H24 | 109.1° | 109.4° |
C36 | C37 | H25 | 109.1° | 109.5° |
C36 | C35 | C34 | 113.3° | 109.5° |
C36 | C35 | H20 | 108.5° | 109.5° |
C36 | C35 | H21 | 108.5° | 109.5° |
C35 | C36 | H22 | 108.4° | 109.5° |
C35 | C36 | H23 | 108.4° | 109.5° |
C24 | C23 | C22 | 112.7° | 109.5° |
C24 | C23 | H43 | 108.7° | 109.4° |
C24 | C23 | H44 | 108.6° | 109.5° |
C23 | C24 | H45 | 109.1° | 109.4° |
C23 | C24 | H46 | 109.1° | 109.5° |
C23 | C22 | C21 | 111.7° | 109.5° |
C23 | C22 | H41 | 108.9° | 109.5° |
C23 | C22 | H42 | 108.9° | 109.4° |
C22 | C23 | H43 | 108.6° | 109.5° |
C22 | C23 | H44 | 108.6° | 109.5° |
C35 | C34 | C33 | 112.6° | 109.5° |
C35 | C34 | H18 | 108.7° | 109.4° |
C35 | C34 | H19 | 108.7° | 109.5° |
C34 | C35 | H20 | 108.5° | 109.5° |
C34 | C35 | H21 | 108.5° | 109.5° |
C34 | C33 | C32 | 114.4° | 109.4° |
C34 | C33 | H16 | 108.2° | 109.5° |
C34 | C33 | H17 | 108.2° | 109.4° |
C33 | C34 | H18 | 108.7° | 109.5° |
C33 | C34 | H19 | 108.7° | 109.5° |
C22 | C21 | O22 | 119.7° | 120.0° |
C22 | C21 | O21 | 123.9° | 120.0° |
C21 | C22 | H41 | 108.9° | 109.5° |
C21 | C22 | H42 | 108.9° | 109.5° |
O22 | C21 | O21 | 116.4° | 120.0° |
C21 | O21 | C2 | 115.2° | 117.0° |
C33 | C32 | C31 | 112.7° | 109.5° |
C33 | C32 | H14 | 108.7° | 109.5° |
C33 | C32 | H15 | 108.7° | 109.5° |
C32 | C33 | H16 | 108.2° | 109.5° |
C32 | C33 | H17 | 108.2° | 109.5° |
O21 | C2 | C3 | 110.7° | 109.5° |
O21 | C2 | C1 | 109.1° | 109.5° |
O21 | C2 | H11 | 109.6° | 109.4° |
C3 | O31 | C31 | 120.2° | 117.0° |
O31 | C3 | C2 | 112.2° | 109.5° |
O31 | C3 | H12 | 108.8° | 109.4° |
O31 | C3 | H13 | 108.8° | 109.5° |
O31 | C31 | C32 | 120.4° | 120.0° |
O31 | C31 | O32 | 119.1° | 120.0° |
C32 | C31 | O32 | 120.4° | 120.0° |
C31 | C32 | H14 | 108.7° | 109.4° |
C31 | C32 | H15 | 108.7° | 109.5° |
C3 | C2 | C1 | 110.9° | 109.5° |
C3 | C2 | H11 | 108.2° | 109.5° |
C2 | C3 | H12 | 108.8° | 109.5° |
C2 | C3 | H13 | 108.8° | 109.5° |
C2 | C1 | O11 | 110.7° | 109.5° |
C2 | C1 | H9 | 109.2° | 109.5° |
C2 | C1 | H10 | 109.2° | 109.5° |
C1 | C2 | H11 | 108.3° | 109.5° |
N | C12 | C11 | 110.9° | 109.5° |
C12 | N | H1 | 109.5° | 111.0° |
C12 | N | H2 | 109.4° | 111.0° |
N | C12 | H7 | 109.1° | 109.5° |
N | C12 | H8 | 109.1° | 109.5° |
C1 | O11 | P | 119.3° | 123.1° |
O11 | C1 | H9 | 109.2° | 109.5° |
O11 | C1 | H10 | 109.2° | 109.4° |
O11 | P | O13 | 104.0° | 109.5° |
O11 | P | O12 | 107.4° | 109.5° |
O11 | P | O14 | 107.5° | 109.5° |
C12 | C11 | O13 | 109.9° | 109.5° |
C12 | C11 | H5 | 109.3° | 109.5° |
C12 | C11 | H6 | 109.4° | 109.5° |
C11 | C12 | H7 | 109.1° | 109.5° |
C11 | C12 | H8 | 109.1° | 109.5° |
C11 | O13 | P | 123.2° | 123.1° |
O13 | C11 | H5 | 109.4° | 109.4° |
O13 | C11 | H6 | 109.3° | 109.4° |
O13 | P | O12 | 107.8° | 109.5° |
O13 | P | O14 | 109.7° | 109.5° |
O12 | P | O14 | 119.4° | 109.4° |
P | O14 | H4 | 109.5° | 114.0° |
H1 | N | H2 | 109.5° | 111.0° |
H5 | C11 | H6 | 109.5° | 109.5° |
H7 | C12 | H8 | 109.5° | 109.5° |
H9 | C1 | H10 | 109.5° | 109.4° |
H12 | C3 | H13 | 109.5° | 109.4° |
H14 | C32 | H15 | 109.4° | 109.5° |
H16 | C33 | H17 | 109.5° | 109.5° |
H18 | C34 | H19 | 109.5° | 109.5° |
H20 | C35 | H21 | 109.5° | 109.5° |
H22 | C36 | H23 | 109.5° | 109.5° |
H24 | C37 | H25 | 109.4° | 109.5° |
H26 | C38 | H27 | 109.5° | 109.5° |
H28 | C39 | H29 | 109.5° | 109.5° |
H30 | C3A | H31 | 109.5° | 109.5° |
H32 | C3B | H33 | 109.5° | 109.5° |
H34 | C3C | H35 | 109.5° | 109.5° |
H36 | C3D | H37 | 109.5° | 109.5° |
H38 | C3E | H39 | 109.5° | 109.5° |
H38 | C3E | H40 | 109.5° | 109.5° |
H39 | C3E | H40 | 109.5° | 109.4° |
H41 | C22 | H42 | 109.5° | 109.5° |
H43 | C23 | H44 | 109.5° | 109.4° |
H45 | C24 | H46 | 109.4° | 109.5° |
H47 | C25 | H48 | 109.5° | 109.5° |
H49 | C26 | H50 | 109.5° | 109.5° |
H51 | C27 | H52 | 109.4° | 109.4° |
H53 | C28 | H54 | 109.5° | 109.4° |
H55 | C29 | H56 | 109.5° | 109.6° |
H57 | C2A | H58 | 109.5° | 109.5° |
H59 | C2B | H60 | 109.5° | 109.5° |
H61 | C2C | H62 | 109.5° | 109.4° |
H63 | C2D | H64 | 109.5° | 109.5° |
H65 | C2E | H66 | 109.5° | 109.5° |
H65 | C2E | H67 | 109.4° | 109.5° |
H66 | C2E | H67 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3E | C3D | C3C | H36 | 120.4° | 120.0° |
C3E | C3D | C3C | H37 | 120.3° | 120.0° |
C3E | C3D | C3C | C3B | 149.2° | 180.0° |
C3E | C3D | C3C | H34 | 29.0° | 60.0° |
C3E | C3D | C3C | H35 | 90.6° | 60.1° |
C3E | C3D | H36 | H37 | 118.9° | 120.0° |
C3D | C3E | H38 | H39 | 120.0° | 120.0° |
C3D | C3E | H38 | H40 | 120.0° | 120.0° |
C3D | C3E | H39 | H40 | 120.0° | 120.0° |
C3D | C3C | C3B | H34 | 120.2° | 120.0° |
C3D | C3C | C3B | H35 | 120.2° | 120.0° |
C3D | C3C | C3B | C3A | 133.7° | 180.0° |
C3D | C3C | C3B | H32 | 13.2° | 60.0° |
C3D | C3C | C3B | H33 | 105.8° | 60.0° |
C3D | C3C | H34 | H35 | 119.4° | 120.1° |
C3C | C3D | H36 | H37 | 118.9° | 120.0° |
C3C | C3D | C3E | H38 | 180.0° | 60.0° |
C3C | C3D | C3E | H39 | 60.0° | 60.0° |
C3C | C3D | C3E | H40 | 60.0° | 180.0° |
C3C | C3B | C3A | H32 | 120.5° | 120.0° |
C3C | C3B | C3A | H33 | 120.5° | 120.0° |
C3C | C3B | C3A | C39 | 150.4° | 180.0° |
C3C | C3B | C3A | H30 | 89.1° | 60.0° |
C3C | C3B | C3A | H31 | 29.9° | 60.0° |
C3C | C3B | H32 | H33 | 118.5° | 120.0° |
C3B | C3C | H34 | H35 | 119.4° | 120.0° |
C3B | C3C | C3D | H36 | 90.5° | 60.0° |
C3B | C3C | C3D | H37 | 28.8° | 60.0° |
C2E | C2D | C2C | H63 | 120.7° | 120.0° |
C2E | C2D | C2C | H64 | 120.7° | 119.9° |
C2E | C2D | C2C | C2B | 164.6° | 179.9° |
C2E | C2D | C2C | H61 | 44.4° | 59.9° |
C2E | C2D | C2C | H62 | 75.2° | 60.0° |
C2E | C2D | H63 | H64 | 118.0° | 120.0° |
C2D | C2E | H65 | H66 | 120.0° | 120.1° |
C2D | C2E | H65 | H67 | 120.0° | 120.0° |
C2D | C2E | H66 | H67 | 120.0° | 119.9° |
C2D | C2C | C2B | C2A | 137.3° | 180.0° |
C2D | C2C | C2B | H61 | 120.2° | 120.0° |
C2D | C2C | C2B | H62 | 120.2° | 120.0° |
C2D | C2C | C2B | H59 | 101.9° | 60.1° |
C2D | C2C | C2B | H60 | 16.6° | 60.0° |
C2D | C2C | H61 | H62 | 119.4° | 120.0° |
C2C | C2D | H63 | H64 | 118.0° | 120.0° |
C2C | C2D | C2E | H65 | 180.0° | 60.0° |
C2C | C2D | C2E | H66 | 60.0° | 60.1° |
C2C | C2D | C2E | H67 | 60.0° | 180.0° |
C3B | C3A | C39 | H30 | 120.5° | 120.0° |
C3B | C3A | C39 | H31 | 120.5° | 120.0° |
C3B | C3A | C39 | C38 | 165.1° | 180.0° |
C3B | C3A | C39 | H28 | 45.1° | 60.0° |
C3B | C3A | C39 | H29 | 74.8° | 60.0° |
C3B | C3A | H30 | H31 | 118.5° | 120.0° |
C3A | C3B | H32 | H33 | 118.5° | 120.0° |
C3A | C3B | C3C | H34 | 106.1° | 60.0° |
C3A | C3B | C3C | H35 | 13.5° | 60.0° |
C2B | C2A | C29 | H57 | 120.3° | 120.0° |
C2B | C2A | C29 | H58 | 120.3° | 120.0° |
C2A | C2B | C2C | H59 | 120.7° | 119.9° |
C2A | C2B | C2C | H60 | 120.7° | 120.0° |
C2B | C2A | C29 | C28 | 132.4° | 180.0° |
C2B | C2A | C29 | H55 | 107.3° | 60.1° |
C2B | C2A | C29 | H56 | 12.2° | 60.0° |
C2B | C2A | H57 | H58 | 118.9° | 120.1° |
C2A | C2B | H59 | H60 | 117.8° | 120.0° |
C2A | C2B | C2C | H61 | 102.4° | 60.1° |
C2A | C2B | C2C | H62 | 17.1° | 59.9° |
C29 | C2A | C2B | C2C | 71.3° | 180.0° |
C2A | C29 | C28 | H55 | 120.3° | 119.9° |
C2A | C29 | C28 | H56 | 120.3° | 120.0° |
C2A | C29 | C28 | C27 | 161.9° | 180.0° |
C2A | C29 | C28 | H53 | 77.6° | 60.0° |
C2A | C29 | C28 | H54 | 41.4° | 60.0° |
C2A | C29 | H55 | H56 | 119.2° | 120.1° |
C29 | C2A | H57 | H58 | 119.0° | 120.0° |
C29 | C2A | C2B | H59 | 49.4° | 60.0° |
C29 | C2A | C2B | H60 | 168.0° | 59.9° |
C2C | C2B | C2A | H57 | 49.1° | 60.1° |
C2C | C2B | C2A | H58 | 168.4° | 60.0° |
C2C | C2B | H59 | H60 | 117.8° | 120.1° |
C2B | C2C | H61 | H62 | 119.4° | 120.0° |
C2B | C2C | C2D | H63 | 74.7° | 60.0° |
C2B | C2C | C2D | H64 | 44.0° | 60.0° |
C3A | C39 | C38 | H28 | 120.0° | 119.9° |
C3A | C39 | C38 | H29 | 120.1° | 120.0° |
C3A | C39 | C38 | C37 | 139.2° | 180.0° |
C3A | C39 | C38 | H26 | 18.4° | 60.0° |
C3A | C39 | C38 | H27 | 100.0° | 60.0° |
C3A | C39 | H28 | H29 | 119.8° | 120.0° |
C39 | C3A | H30 | H31 | 118.5° | 120.0° |
C39 | C3A | C3B | H32 | 29.9° | 60.0° |
C39 | C3A | C3B | H33 | 89.2° | 60.0° |
C29 | C28 | C27 | H53 | 120.5° | 120.1° |
C29 | C28 | C27 | H54 | 120.5° | 120.0° |
C29 | C28 | C27 | C26 | 71.2° | 180.0° |
C29 | C28 | C27 | H51 | 168.3° | 59.9° |
C29 | C28 | C27 | H52 | 49.2° | 60.0° |
C29 | C28 | H53 | H54 | 118.4° | 120.0° |
C28 | C29 | H55 | H56 | 119.1° | 120.0° |
C28 | C29 | C2A | H57 | 12.1° | 60.0° |
C28 | C29 | C2A | H58 | 107.2° | 60.0° |
C28 | C27 | C26 | H51 | 120.4° | 120.0° |
C28 | C27 | C26 | H52 | 120.4° | 120.0° |
C28 | C27 | C26 | C25 | 134.3° | 180.0° |
C28 | C27 | C26 | H49 | 105.1° | 60.0° |
C28 | C27 | C26 | H50 | 13.7° | 60.1° |
C28 | C27 | H51 | H52 | 118.8° | 119.9° |
C27 | C28 | H53 | H54 | 118.5° | 119.9° |
C27 | C28 | C29 | H55 | 41.6° | 60.0° |
C27 | C28 | C29 | H56 | 77.8° | 60.0° |
C27 | C26 | C25 | H49 | 120.6° | 120.0° |
C27 | C26 | C25 | H50 | 120.5° | 120.0° |
C27 | C26 | C25 | C24 | 128.1° | 180.0° |
C27 | C26 | C25 | H47 | 111.4° | 60.0° |
C27 | C26 | C25 | H48 | 7.6° | 60.0° |
C27 | C26 | H49 | H50 | 118.2° | 120.0° |
C26 | C27 | H51 | H52 | 118.7° | 120.0° |
C26 | C27 | C28 | H53 | 49.3° | 59.9° |
C26 | C27 | C28 | H54 | 168.3° | 60.0° |
C39 | C38 | C37 | H26 | 120.8° | 120.0° |
C39 | C38 | C37 | H27 | 120.8° | 120.0° |
C39 | C38 | C37 | C36 | 157.0° | 180.0° |
C39 | C38 | C37 | H24 | 82.8° | 60.0° |
C39 | C38 | C37 | H25 | 36.8° | 60.0° |
C39 | C38 | H26 | H27 | 117.6° | 120.1° |
C38 | C39 | H28 | H29 | 119.8° | 120.0° |
C38 | C39 | C3A | H30 | 74.4° | 60.0° |
C38 | C39 | C3A | H31 | 44.6° | 60.0° |
C38 | C37 | C36 | H24 | 120.2° | 120.0° |
C38 | C37 | C36 | H25 | 120.2° | 120.0° |
C38 | C37 | C36 | C35 | 127.9° | NaN° |
C38 | C37 | C36 | H22 | 111.4° | 60.0° |
C38 | C37 | C36 | H23 | 7.4° | 60.0° |
C38 | C37 | H24 | H25 | 119.3° | 120.0° |
C37 | C38 | H26 | H27 | 117.6° | 120.0° |
C37 | C38 | C39 | H28 | 100.7° | 60.0° |
C37 | C38 | C39 | H29 | 19.2° | 60.0° |
C26 | C25 | C24 | H47 | 120.5° | 119.9° |
C26 | C25 | C24 | H48 | 120.5° | 120.0° |
C26 | C25 | C24 | C23 | 135.1° | 180.0° |
C26 | C25 | C24 | H45 | 104.7° | 60.1° |
C26 | C25 | C24 | H46 | 14.8° | 60.0° |
C26 | C25 | H47 | H48 | 118.4° | 120.0° |
C25 | C26 | H49 | H50 | 118.3° | 120.0° |
C25 | C26 | C27 | H51 | 13.9° | 60.0° |
C25 | C26 | C27 | H52 | 105.3° | 60.0° |
C25 | C24 | C23 | H45 | 120.3° | 120.0° |
C25 | C24 | C23 | H46 | 120.3° | 120.1° |
C25 | C24 | C23 | C22 | 177.5° | 180.0° |
C25 | C24 | C23 | H43 | 57.0° | 60.0° |
C25 | C24 | C23 | H44 | 62.1° | 59.9° |
C25 | C24 | H45 | H46 | 119.2° | 120.1° |
C24 | C25 | H47 | H48 | 118.3° | 120.1° |
C24 | C25 | C26 | H49 | 7.5° | 60.0° |
C24 | C25 | C26 | H50 | 111.4° | 60.0° |
C37 | C36 | C35 | H22 | 120.6° | 120.0° |
C37 | C36 | C35 | H23 | 120.6° | 120.0° |
C37 | C36 | C35 | C34 | 86.2° | NaN° |
C37 | C36 | C35 | H20 | 153.2° | 60.0° |
C37 | C36 | C35 | H21 | 34.3° | 60.0° |
C37 | C36 | H22 | H23 | 118.1° | 120.0° |
C36 | C37 | H24 | H25 | 119.4° | 120.0° |
C36 | C37 | C38 | H26 | 36.2° | 60.0° |
C36 | C37 | C38 | H27 | 82.2° | 60.0° |
C36 | C35 | C34 | H20 | 120.5° | 120.0° |
C36 | C35 | C34 | H21 | 120.6° | 120.0° |
C36 | C35 | C34 | C33 | 136.9° | 180.0° |
C36 | C35 | C34 | H18 | 102.7° | 60.0° |
C36 | C35 | C34 | H19 | 16.4° | 60.0° |
C36 | C35 | H20 | H21 | 118.3° | 120.0° |
C35 | C36 | H22 | H23 | 118.1° | 120.0° |
C35 | C36 | C37 | H24 | 7.7° | 60.0° |
C35 | C36 | C37 | H25 | 111.8° | 60.0° |
C24 | C23 | C22 | H43 | 120.5° | 120.0° |
C24 | C23 | C22 | H44 | 120.5° | 120.0° |
C24 | C23 | C22 | C21 | 73.0° | 179.9° |
C24 | C23 | C22 | H41 | 166.7° | 60.0° |
C24 | C23 | C22 | H42 | 47.3° | 60.0° |
C24 | C23 | H43 | H44 | 118.5° | 120.0° |
C23 | C24 | H45 | H46 | 119.3° | 120.0° |
C23 | C24 | C25 | H47 | 14.5° | 60.1° |
C23 | C24 | C25 | H48 | 104.4° | 60.0° |
C23 | C22 | C21 | H41 | 120.3° | 120.0° |
C23 | C22 | C21 | H42 | 120.3° | 119.9° |
C23 | C22 | C21 | O22 | 12.9° | 0.1° |
C23 | C22 | C21 | O21 | 166.8° | 180.0° |
C23 | C22 | H41 | H42 | 119.0° | 119.9° |
C22 | C23 | H43 | H44 | 118.5° | 120.0° |
C22 | C23 | C24 | H45 | 62.3° | 60.0° |
C22 | C23 | C24 | H46 | 57.2° | 60.0° |
C35 | C34 | C33 | H18 | 120.5° | 119.9° |
C35 | C34 | C33 | H19 | 120.4° | 120.0° |
C35 | C34 | C33 | C32 | 127.5° | 180.0° |
C35 | C34 | C33 | H16 | 111.8° | 60.0° |
C35 | C34 | C33 | H17 | 6.8° | 60.0° |
C35 | C34 | H18 | H19 | 118.6° | 120.0° |
C34 | C35 | H20 | H21 | 118.3° | 120.0° |
C34 | C35 | C36 | H22 | 34.4° | 60.0° |
C34 | C35 | C36 | H23 | 153.2° | 60.0° |
C34 | C33 | C32 | H16 | 120.7° | 120.0° |
C34 | C33 | C32 | H17 | 120.7° | 119.9° |
C34 | C33 | C32 | C31 | 109.1° | 180.0° |
C34 | C33 | C32 | H14 | 11.3° | 60.0° |
C34 | C33 | C32 | H15 | 130.4° | 60.0° |
C34 | C33 | H16 | H17 | 117.8° | 120.0° |
C33 | C34 | H18 | H19 | 118.6° | 120.0° |
C33 | C34 | C35 | H20 | 16.3° | 60.0° |
C33 | C34 | C35 | H21 | 102.5° | 60.0° |
C22 | C21 | O22 | O21 | 179.7° | 179.9° |
C22 | C21 | O21 | C2 | 33.3° | 180.0° |
C21 | C22 | H41 | H42 | 119.0° | 120.0° |
C21 | C22 | C23 | H43 | 47.5° | 59.9° |
C21 | C22 | C23 | H44 | 166.5° | 60.0° |
O22 | C21 | O21 | C2 | 147.0° | 0.0° |
O22 | C21 | C22 | H41 | 133.2° | 119.9° |
O22 | C21 | C22 | H42 | 107.5° | 120.0° |
C21 | O21 | C2 | C3 | 81.1° | 150.0° |
C21 | O21 | C2 | C1 | 156.6° | 90.0° |
C21 | O21 | C2 | H11 | 38.2° | 30.0° |
O21 | C21 | C22 | H41 | 46.5° | 60.0° |
O21 | C21 | C22 | H42 | 72.8° | 60.1° |
C33 | C32 | C31 | O31 | 32.0° | 180.0° |
C33 | C32 | C31 | H14 | 120.5° | 120.0° |
C33 | C32 | C31 | H15 | 120.5° | 120.0° |
C33 | C32 | C31 | O32 | 148.5° | 0.0° |
C33 | C32 | H14 | H15 | 118.6° | 120.0° |
C32 | C33 | H16 | H17 | 117.8° | 120.1° |
C32 | C33 | C34 | H18 | 7.0° | 60.0° |
C32 | C33 | C34 | H19 | 112.1° | 60.0° |
O21 | C2 | C3 | O31 | 119.3° | 65.0° |
O21 | C2 | C3 | C1 | 121.2° | 120.0° |
O21 | C2 | C3 | H11 | 120.1° | 120.0° |
O21 | C2 | C1 | H11 | 119.3° | 120.0° |
O21 | C2 | C1 | O11 | 11.7° | 65.0° |
O21 | C2 | C1 | H9 | 108.5° | 55.0° |
O21 | C2 | C1 | H10 | 131.8° | 175.0° |
O21 | C2 | C3 | H12 | 1.1° | 55.0° |
O21 | C2 | C3 | H13 | 120.3° | 175.0° |
C3 | O31 | C31 | C32 | 155.9° | 180.0° |
O31 | C3 | C2 | H12 | 120.4° | 120.0° |
O31 | C3 | C2 | H13 | 120.4° | 120.0° |
O31 | C3 | C2 | C1 | 119.5° | 55.0° |
C3 | O31 | C31 | O32 | 23.7° | 0.0° |
O31 | C3 | C2 | H11 | 0.8° | 175.0° |
O31 | C3 | H12 | H13 | 118.8° | 120.0° |
O31 | C31 | C32 | O32 | 179.6° | 180.0° |
C31 | O31 | C3 | C2 | 111.2° | 180.0° |
C31 | O31 | C3 | H12 | 128.4° | 60.0° |
C31 | O31 | C3 | H13 | 9.2° | 59.9° |
O31 | C31 | C32 | H14 | 88.5° | 60.0° |
O31 | C31 | C32 | H15 | 152.5° | 60.0° |
C31 | C32 | H14 | H15 | 118.5° | 120.0° |
C31 | C32 | C33 | H16 | 130.2° | 60.0° |
C31 | C32 | C33 | H17 | 11.6° | 60.0° |
C3 | C2 | C1 | H11 | 118.6° | 120.0° |
C3 | C2 | C1 | O11 | 133.8° | 55.0° |
C3 | C2 | C1 | H9 | 13.6° | 175.0° |
C3 | C2 | C1 | H10 | 106.0° | 65.0° |
C2 | C3 | H12 | H13 | 118.7° | 120.0° |
C2 | C1 | O11 | H9 | 120.2° | 120.1° |
C2 | C1 | O11 | H10 | 120.2° | 120.0° |
C2 | C1 | O11 | P | 175.9° | 180.0° |
C2 | C1 | H9 | H10 | 119.5° | 120.0° |
C1 | C2 | C3 | H12 | 120.1° | 175.0° |
C1 | C2 | C3 | H13 | 0.9° | 65.0° |
O32 | C31 | C32 | H14 | 91.0° | 120.0° |
O32 | C31 | C32 | H15 | 28.0° | 120.0° |
N | C12 | C11 | H7 | 120.2° | 120.0° |
N | C12 | C11 | H8 | 120.2° | 120.0° |
N | C12 | C11 | O13 | 73.6° | 65.0° |
C12 | N | H1 | H2 | 120.0° | 124.0° |
N | C12 | C11 | H5 | 166.3° | 55.0° |
N | C12 | C11 | H6 | 46.5° | 175.0° |
N | C12 | H7 | H8 | 119.4° | 120.0° |
C1 | O11 | P | O13 | 122.1° | 175.0° |
C1 | O11 | P | O12 | 123.8° | 55.0° |
C1 | O11 | P | O14 | 5.8° | 65.0° |
O11 | C1 | H9 | H10 | 119.4° | 119.9° |
O11 | C1 | C2 | H11 | 107.6° | 175.0° |
O11 | P | O13 | C11 | 116.9° | 175.0° |
O11 | P | O13 | O12 | 113.8° | 120.0° |
O11 | P | O13 | O14 | 114.8° | 120.0° |
O11 | P | O12 | O14 | 122.6° | 120.0° |
O11 | P | O14 | H4 | 122.5° | 60.0° |
P | O11 | C1 | H9 | 63.9° | 59.9° |
P | O11 | C1 | H10 | 55.8° | 60.0° |
C12 | C11 | O13 | H5 | 120.1° | 120.0° |
C12 | C11 | O13 | H6 | 120.1° | 120.0° |
C12 | C11 | O13 | P | 157.2° | 180.0° |
C11 | C12 | N | H1 | 180.0° | 180.0° |
C11 | C12 | N | H2 | 60.0° | 56.0° |
C12 | C11 | H5 | H6 | 119.8° | 120.1° |
C11 | C12 | H7 | H8 | 119.4° | 120.0° |
C11 | O13 | P | O12 | 3.1° | 55.0° |
C11 | O13 | P | O14 | 128.4° | 65.0° |
O13 | C11 | H5 | H6 | 119.8° | 119.9° |
O13 | C11 | C12 | H7 | 46.6° | 55.0° |
O13 | C11 | C12 | H8 | 166.2° | 175.0° |
O13 | P | O12 | O14 | 125.9° | 120.0° |
O13 | P | O14 | H4 | 125.0° | 60.0° |
P | O13 | C11 | H5 | 82.7° | 59.9° |
P | O13 | C11 | H6 | 37.1° | 60.0° |
O12 | P | O14 | H4 | 0.0° | 180.0° |
H1 | N | C12 | H7 | 59.8° | 60.0° |
H1 | N | C12 | H8 | 59.8° | 60.0° |
H2 | N | C12 | H7 | 60.2° | 64.0° |
H2 | N | C12 | H8 | 179.8° | 176.0° |
H5 | C11 | C12 | H7 | 73.5° | 175.0° |
H5 | C11 | C12 | H8 | 46.1° | 65.0° |
H6 | C11 | C12 | H7 | 166.7° | 65.0° |
H6 | C11 | C12 | H8 | 73.7° | 55.1° |
H9 | C1 | C2 | H11 | 132.2° | 65.0° |
H10 | C1 | C2 | H11 | 12.6° | 55.0° |
H11 | C2 | C3 | H12 | 121.2° | 65.0° |
H11 | C2 | C3 | H13 | 119.6° | 55.0° |
H14 | C32 | C33 | H16 | 109.4° | 180.0° |
H14 | C32 | C33 | H17 | 132.0° | 59.9° |
H15 | C32 | C33 | H16 | 9.7° | 60.0° |
H15 | C32 | C33 | H17 | 108.9° | 180.0° |
H16 | C33 | C34 | H18 | 127.7° | 179.9° |
H16 | C33 | C34 | H19 | 8.6° | 60.0° |
H17 | C33 | C34 | H18 | 113.7° | 59.9° |
H17 | C33 | C34 | H19 | 127.2° | 180.0° |
H18 | C34 | C35 | H20 | 136.8° | 180.0° |
H18 | C34 | C35 | H21 | 17.9° | 60.0° |
H19 | C34 | C35 | H20 | 104.1° | 60.0° |
H19 | C34 | C35 | H21 | 137.0° | NaN° |
H20 | C35 | C36 | H22 | 86.2° | 180.0° |
H20 | C35 | C36 | H23 | 32.6° | 60.0° |
H21 | C35 | C36 | H22 | 155.0° | 60.0° |
H21 | C35 | C36 | H23 | 86.2° | 180.0° |
H22 | C36 | C37 | H24 | 128.3° | 180.0° |
H22 | C36 | C37 | H25 | 8.8° | 60.0° |
H23 | C36 | C37 | H24 | 112.9° | 60.0° |
H23 | C36 | C37 | H25 | 127.6° | 180.0° |
H24 | C37 | C38 | H26 | 156.4° | 179.9° |
H24 | C37 | C38 | H27 | 38.0° | 59.9° |
H25 | C37 | C38 | H26 | 84.0° | 60.0° |
H25 | C37 | C38 | H27 | 157.5° | 180.0° |
H26 | C38 | C39 | H28 | 138.5° | 180.0° |
H26 | C38 | C39 | H29 | 101.6° | 60.0° |
H27 | C38 | C39 | H28 | 20.0° | 59.9° |
H27 | C38 | C39 | H29 | 139.9° | 180.0° |
H28 | C39 | C3A | H30 | 165.6° | 180.0° |
H28 | C39 | C3A | H31 | 75.4° | 60.0° |
H29 | C39 | C3A | H30 | 45.7° | 60.0° |
H29 | C39 | C3A | H31 | 164.7° | 180.0° |
H30 | C3A | C3B | H32 | 150.4° | 180.0° |
H30 | C3A | C3B | H33 | 31.3° | 60.0° |
H31 | C3A | C3B | H32 | 90.6° | 60.0° |
H31 | C3A | C3B | H33 | 150.3° | 180.0° |
H32 | C3B | C3C | H34 | 133.4° | 180.0° |
H32 | C3B | C3C | H35 | 107.0° | 60.0° |
H33 | C3B | C3C | H34 | 14.4° | 60.0° |
H33 | C3B | C3C | H35 | 134.0° | 180.0° |
H34 | C3C | C3D | H36 | 149.3° | 180.0° |
H34 | C3C | C3D | H37 | 91.4° | 59.9° |
H35 | C3C | C3D | H36 | 29.7° | 60.0° |
H35 | C3C | C3D | H37 | 149.0° | 180.0° |
H36 | C3D | C3E | H38 | 59.7° | 180.0° |
H36 | C3D | C3E | H39 | 60.3° | 60.0° |
H36 | C3D | C3E | H40 | 179.7° | 60.0° |
H37 | C3D | C3E | H38 | 59.6° | 60.0° |
H37 | C3D | C3E | H39 | 179.6° | 180.0° |
H37 | C3D | C3E | H40 | 60.4° | 60.0° |
H38 | C3E | H39 | H40 | 120.0° | 120.0° |
H41 | C22 | C23 | H43 | 72.8° | 180.0° |
H41 | C22 | C23 | H44 | 46.2° | 60.1° |
H42 | C22 | C23 | H43 | 167.8° | 60.0° |
H42 | C22 | C23 | H44 | 73.1° | 179.9° |
H43 | C23 | C24 | H45 | 177.3° | 180.0° |
H43 | C23 | C24 | H46 | 63.3° | 60.1° |
H44 | C23 | C24 | H45 | 58.2° | 60.0° |
H44 | C23 | C24 | H46 | 177.7° | NaN° |
H45 | C24 | C25 | H47 | 134.8° | 180.0° |
H45 | C24 | C25 | H48 | 15.8° | 59.9° |
H46 | C24 | C25 | H47 | 105.7° | 60.0° |
H46 | C24 | C25 | H48 | 135.3° | 179.9° |
H47 | C25 | C26 | H49 | 128.1° | 180.0° |
H47 | C25 | C26 | H50 | 9.2° | 60.0° |
H48 | C25 | C26 | H49 | 113.0° | 60.0° |
H48 | C25 | C26 | H50 | 128.1° | 180.0° |
H49 | C26 | C27 | H51 | 134.4° | 180.0° |
H49 | C26 | C27 | H52 | 15.3° | 60.0° |
H50 | C26 | C27 | H51 | 106.7° | 60.0° |
H50 | C26 | C27 | H52 | 134.2° | 179.9° |
H51 | C27 | C28 | H53 | 71.1° | NaN° |
H51 | C27 | C28 | H54 | 47.8° | 60.1° |
H52 | C27 | C28 | H53 | 169.7° | 60.1° |
H52 | C27 | C28 | H54 | 71.3° | 180.0° |
H53 | C28 | C29 | H55 | 162.1° | 179.9° |
H53 | C28 | C29 | H56 | 42.7° | 60.0° |
H54 | C28 | C29 | H55 | 78.9° | 60.0° |
H54 | C28 | C29 | H56 | 161.7° | 180.0° |
H55 | C29 | C2A | H57 | 132.4° | 179.9° |
H55 | C29 | C2A | H58 | 13.1° | 59.9° |
H56 | C29 | C2A | H57 | 108.2° | 59.9° |
H56 | C29 | C2A | H58 | 132.5° | 180.0° |
H57 | C2A | C2B | H59 | 169.8° | 180.0° |
H57 | C2A | C2B | H60 | 71.6° | 60.0° |
H58 | C2A | C2B | H59 | 70.9° | 59.9° |
H58 | C2A | C2B | H60 | 47.7° | 179.9° |
H59 | C2B | C2C | H61 | 18.3° | 180.0° |
H59 | C2B | C2C | H62 | 137.8° | 60.0° |
H60 | C2B | C2C | H61 | 136.9° | 60.0° |
H60 | C2B | C2C | H62 | 103.6° | 180.0° |
H61 | C2C | C2D | H63 | 165.1° | 180.0° |
H61 | C2C | C2D | H64 | 76.2° | 60.0° |
H62 | C2C | C2D | H63 | 45.5° | 60.0° |
H62 | C2C | C2D | H64 | 164.2° | 180.0° |
H63 | C2D | C2E | H65 | 59.4° | 180.0° |
H63 | C2D | C2E | H66 | 60.7° | 59.9° |
H63 | C2D | C2E | H67 | 179.3° | 60.0° |
H64 | C2D | C2E | H65 | 59.3° | 59.9° |
H64 | C2D | C2E | H66 | 179.3° | 180.0° |
H64 | C2D | C2E | H67 | 60.7° | 60.1° |
H65 | C2E | H66 | H67 | 120.0° | 120.0° |