GVZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C30 | N31 | sing | 1.47Å | 1.48Å | |
C30 | C29 | sing | 1.51Å | 1.54Å | |
C32 | C33 | sing | 1.53Å | 1.56Å | |
C32 | N31 | sing | 1.47Å | 1.46Å | |
C33 | O34 | sing | 1.43Å | 1.47Å | |
N31 | C36 | sing | 1.47Å | 1.47Å | |
C29 | O37 | doub | 1.21Å | 1.23Å | |
C29 | N28 | sing | 1.35Å | 1.35Å | |
N28 | C27 | sing | 1.47Å | 1.47Å | |
O34 | C35 | sing | 1.43Å | 1.43Å | |
C36 | C35 | sing | 1.53Å | 1.49Å | |
C38 | C27 | sing | 1.53Å | 1.54Å | |
C27 | C26 | sing | 1.51Å | 1.53Å | |
C26 | O39 | doub | 1.21Å | 1.24Å | |
C26 | N25 | sing | 1.35Å | 1.34Å | |
C47 | C48 | doub | 1.38Å | 1.40Å | Aromatic |
C47 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
C48 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
O45 | C44 | sing | 1.36Å | 1.38Å | |
O45 | C46 | sing | 1.43Å | 1.45Å | |
N25 | C24 | sing | 1.47Å | 1.47Å | |
C44 | C43 | doub | 1.39Å | 1.41Å | Aromatic |
C41 | C40 | sing | 1.51Å | 1.39Å | |
C41 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
C24 | C40 | sing | 1.53Å | 1.54Å | |
C24 | C23 | sing | 1.51Å | 1.52Å | |
O49 | C23 | doub | 1.21Å | 1.24Å | |
C43 | C42 | sing | 1.38Å | 1.39Å | Aromatic |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | C6 | sing | 1.53Å | 1.49Å | |
C23 | N22 | sing | 1.35Å | 1.35Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C6 | C5 | sing | 1.53Å | 1.57Å | |
C12 | C10 | sing | 1.53Å | 1.56Å | |
N22 | C8 | sing | 1.46Å | 1.48Å | |
C3 | C50 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C5 | C4 | sing | 1.53Å | 1.56Å | |
C5 | C7 | sing | 1.53Å | 1.55Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.53Å | 1.55Å | |
C50 | C51 | sing | 1.53Å | 1.50Å | |
O13 | C10 | sing | 1.43Å | 1.46Å | |
C4 | C53 | sing | 1.53Å | 1.50Å | |
C10 | C9 | sing | 1.53Å | 1.63Å | |
C10 | C11 | sing | 1.53Å | 1.57Å | |
C9 | O21 | sing | 1.43Å | 1.43Å | |
C51 | C52 | sing | 1.53Å | 1.53Å | |
C53 | C52 | sing | 1.53Å | 1.54Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C5 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C7 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C24 | H8 | sing | 1.09Å | 1.10Å | |
C53 | H9 | sing | 1.09Å | 1.10Å | |
C53 | H10 | sing | 1.09Å | 1.10Å | |
C52 | H11 | sing | 1.09Å | 1.10Å | |
C52 | H12 | sing | 1.09Å | 1.10Å | |
C51 | H13 | sing | 1.09Å | 1.10Å | |
C51 | H14 | sing | 1.09Å | 1.10Å | |
C50 | H15 | sing | 1.09Å | 1.10Å | |
C50 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.09Å | 1.10Å | |
C2 | H18 | sing | 1.09Å | 1.10Å | |
C2 | H19 | sing | 1.09Å | 1.10Å | |
C1 | H20 | sing | 1.09Å | 1.10Å | |
C1 | H21 | sing | 1.09Å | 1.10Å | |
C9 | H22 | sing | 1.09Å | 1.10Å | |
O21 | H23 | sing | 0.97Å | 0.95Å | |
C11 | H24 | sing | 1.09Å | 1.10Å | |
C11 | H25 | sing | 1.09Å | 1.10Å | |
C11 | H26 | sing | 1.09Å | 1.10Å | |
C12 | H27 | sing | 1.09Å | 1.10Å | |
C12 | H28 | sing | 1.09Å | 1.10Å | |
C12 | H29 | sing | 1.09Å | 1.10Å | |
O13 | H30 | sing | 0.97Å | 0.95Å | |
N22 | H31 | sing | 0.97Å | 1.00Å | |
C40 | H32 | sing | 1.09Å | 1.10Å | |
C40 | H33 | sing | 1.09Å | 1.10Å | |
C42 | H34 | sing | 1.08Å | 1.08Å | |
C43 | H35 | sing | 1.08Å | 1.08Å | |
C46 | H36 | sing | 1.09Å | 1.10Å | |
C46 | H37 | sing | 1.09Å | 1.10Å | |
C46 | H38 | sing | 1.09Å | 1.10Å | |
C47 | H39 | sing | 1.08Å | 1.08Å | |
C48 | H40 | sing | 1.08Å | 1.08Å | |
N25 | H41 | sing | 0.97Å | 1.00Å | |
C27 | H42 | sing | 1.09Å | 1.10Å | |
C38 | H43 | sing | 1.09Å | 1.10Å | |
C38 | H44 | sing | 1.09Å | 1.10Å | |
C38 | H45 | sing | 1.09Å | 1.10Å | |
N28 | H46 | sing | 0.97Å | 1.00Å | |
C30 | H47 | sing | 1.09Å | 1.10Å | |
C30 | H48 | sing | 1.09Å | 1.10Å | |
C32 | H50 | sing | 1.09Å | 1.10Å | |
C32 | H51 | sing | 1.09Å | 1.10Å | |
C33 | H52 | sing | 1.09Å | 1.10Å | |
C33 | H53 | sing | 1.09Å | 1.10Å | |
C35 | H54 | sing | 1.09Å | 1.10Å | |
C35 | H55 | sing | 1.09Å | 1.10Å | |
C36 | H56 | sing | 1.09Å | 1.10Å | |
C36 | H57 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N31 | C30 | C29 | 114.9° | 109.5° |
C30 | N31 | C32 | 109.9° | 111.0° |
C30 | N31 | C36 | 116.0° | 111.0° |
N31 | C30 | H47 | 108.1° | 109.5° |
N31 | C30 | H48 | 108.1° | 109.5° |
C30 | C29 | O37 | 121.7° | 120.0° |
C30 | C29 | N28 | 113.3° | 120.0° |
C29 | C30 | H47 | 108.1° | 109.4° |
C29 | C30 | H48 | 108.1° | 109.5° |
C33 | C32 | N31 | 106.4° | 109.2° |
C32 | C33 | O34 | 111.7° | 109.3° |
C33 | C32 | H50 | 110.2° | 109.5° |
C33 | C32 | H51 | 110.2° | 109.5° |
C32 | C33 | H52 | 108.9° | 109.5° |
C32 | C33 | H53 | 108.9° | 109.5° |
C32 | N31 | C36 | 107.4° | 110.8° |
N31 | C32 | H50 | 110.2° | 109.5° |
N31 | C32 | H51 | 110.3° | 109.5° |
C33 | O34 | C35 | 111.8° | 113.8° |
O34 | C33 | H52 | 108.9° | 109.5° |
O34 | C33 | H53 | 108.9° | 109.5° |
N31 | C36 | C35 | 112.0° | 109.3° |
N31 | C36 | H56 | 108.8° | 109.5° |
N31 | C36 | H57 | 108.9° | 109.5° |
O37 | C29 | N28 | 124.9° | 120.0° |
C29 | N28 | C27 | 123.0° | 120.0° |
C29 | N28 | H46 | 118.5° | 120.0° |
N28 | C27 | C38 | 109.5° | 109.5° |
N28 | C27 | C26 | 110.7° | 109.5° |
N28 | C27 | H42 | 109.8° | 109.5° |
C27 | N28 | H46 | 118.5° | 119.9° |
O34 | C35 | C36 | 108.5° | 109.3° |
O34 | C35 | H54 | 109.7° | 109.5° |
O34 | C35 | H55 | 109.7° | 109.5° |
C36 | C35 | H54 | 109.7° | 109.5° |
C36 | C35 | H55 | 109.7° | 109.6° |
C35 | C36 | H56 | 108.8° | 109.5° |
C35 | C36 | H57 | 108.8° | 109.5° |
C38 | C27 | C26 | 109.2° | 109.5° |
C38 | C27 | H42 | 108.8° | 109.5° |
C27 | C38 | H43 | 109.5° | 109.5° |
C27 | C38 | H44 | 109.5° | 109.5° |
C27 | C38 | H45 | 109.4° | 109.5° |
C27 | C26 | O39 | 122.0° | 120.0° |
C27 | C26 | N25 | 112.8° | 120.0° |
C26 | C27 | H42 | 108.9° | 109.5° |
O39 | C26 | N25 | 125.2° | 120.0° |
C26 | N25 | C24 | 123.1° | 120.0° |
C26 | N25 | H41 | 118.5° | 120.0° |
C48 | C47 | C44 | 121.1° | 119.9° |
C47 | C48 | C41 | 120.0° | 120.1° |
C48 | C47 | H39 | 119.5° | 120.0° |
C47 | C48 | H40 | 120.0° | 120.0° |
C47 | C44 | O45 | 117.1° | 120.0° |
C47 | C44 | C43 | 118.1° | 119.9° |
C44 | C47 | H39 | 119.4° | 120.1° |
C48 | C41 | C40 | 121.2° | 120.0° |
C48 | C41 | C42 | 119.3° | 120.1° |
C41 | C48 | H40 | 120.0° | 119.9° |
C44 | O45 | C46 | 123.2° | 117.0° |
O45 | C44 | C43 | 124.8° | 120.0° |
O45 | C46 | H36 | 109.5° | 109.5° |
O45 | C46 | H37 | 109.5° | 109.5° |
O45 | C46 | H38 | 109.5° | 109.4° |
N25 | C24 | C40 | 110.4° | 109.5° |
N25 | C24 | C23 | 105.9° | 109.5° |
N25 | C24 | H8 | 111.1° | 109.5° |
C24 | N25 | H41 | 118.4° | 119.9° |
C44 | C43 | C42 | 120.6° | 119.9° |
C44 | C43 | H35 | 119.7° | 120.0° |
C40 | C41 | C42 | 119.4° | 120.0° |
C41 | C40 | C24 | 109.8° | 109.5° |
C41 | C40 | H32 | 109.4° | 109.5° |
C41 | C40 | H33 | 109.4° | 109.5° |
C41 | C42 | C43 | 120.9° | 120.1° |
C41 | C42 | H34 | 119.6° | 120.0° |
C40 | C24 | C23 | 109.0° | 109.5° |
C40 | C24 | H8 | 110.1° | 109.4° |
C24 | C40 | H32 | 109.4° | 109.5° |
C24 | C40 | H33 | 109.4° | 109.4° |
C24 | C23 | O49 | 119.5° | 120.0° |
C24 | C23 | N22 | 115.0° | 120.0° |
C23 | C24 | H8 | 110.3° | 109.5° |
O49 | C23 | N22 | 125.5° | 120.0° |
C43 | C42 | H34 | 119.6° | 120.0° |
C42 | C43 | H35 | 119.7° | 120.0° |
C2 | C1 | C6 | 110.0° | 109.5° |
C1 | C2 | C3 | 110.0° | 109.5° |
C1 | C2 | H18 | 109.3° | 109.5° |
C1 | C2 | H19 | 109.3° | 109.5° |
C2 | C1 | H20 | 109.3° | 109.5° |
C2 | C1 | H21 | 109.3° | 109.5° |
C1 | C6 | C5 | 107.9° | 109.5° |
C1 | C6 | H3 | 109.9° | 109.5° |
C1 | C6 | H4 | 109.8° | 109.5° |
C6 | C1 | H20 | 109.3° | 109.5° |
C6 | C1 | H21 | 109.3° | 109.5° |
C23 | N22 | C8 | 122.7° | 120.0° |
C23 | N22 | H31 | 118.6° | 120.0° |
C2 | C3 | C50 | 109.2° | 109.5° |
C2 | C3 | C4 | 109.9° | 109.5° |
C2 | C3 | H17 | 109.0° | 109.5° |
C3 | C2 | H18 | 109.4° | 109.5° |
C3 | C2 | H19 | 109.3° | 109.5° |
C6 | C5 | C4 | 107.9° | 109.5° |
C6 | C5 | C7 | 111.9° | 109.5° |
C6 | C5 | H2 | 109.1° | 109.5° |
C5 | C6 | H3 | 109.9° | 109.5° |
C5 | C6 | H4 | 109.9° | 109.5° |
C12 | C10 | O13 | 105.6° | 109.4° |
C12 | C10 | C9 | 115.6° | 109.4° |
C12 | C10 | C11 | 101.2° | 109.5° |
C10 | C12 | H27 | 109.5° | 109.5° |
C10 | C12 | H28 | 109.5° | 109.5° |
C10 | C12 | H29 | 109.5° | 109.5° |
N22 | C8 | C7 | 110.8° | 109.5° |
N22 | C8 | C9 | 108.0° | 109.5° |
N22 | C8 | H7 | 109.3° | 109.5° |
C8 | N22 | H31 | 118.6° | 120.0° |
C50 | C3 | C4 | 110.9° | 109.5° |
C3 | C50 | C51 | 108.5° | 109.5° |
C3 | C50 | H15 | 109.7° | 109.4° |
C3 | C50 | H16 | 109.7° | 109.5° |
C50 | C3 | H17 | 109.0° | 109.5° |
C3 | C4 | C5 | 110.3° | 109.5° |
C3 | C4 | C53 | 110.6° | 109.5° |
C3 | C4 | H1 | 107.7° | 109.5° |
C4 | C3 | H17 | 108.8° | 109.5° |
C4 | C5 | C7 | 109.2° | 109.5° |
C5 | C4 | C53 | 112.1° | 109.5° |
C5 | C4 | H1 | 107.6° | 109.5° |
C4 | C5 | H2 | 109.3° | 109.5° |
C5 | C7 | C8 | 113.4° | 109.5° |
C7 | C5 | H2 | 109.4° | 109.5° |
C5 | C7 | H5 | 108.5° | 109.5° |
C5 | C7 | H6 | 108.5° | 109.4° |
C7 | C8 | C9 | 111.7° | 109.5° |
C8 | C7 | H5 | 108.5° | 109.5° |
C8 | C7 | H6 | 108.5° | 109.4° |
C7 | C8 | H7 | 108.6° | 109.4° |
C8 | C9 | C10 | 113.6° | 109.5° |
C8 | C9 | O21 | 104.7° | 109.5° |
C9 | C8 | H7 | 108.4° | 109.5° |
C8 | C9 | H22 | 109.4° | 109.5° |
C50 | C51 | C52 | 109.6° | 109.5° |
C50 | C51 | H13 | 109.4° | 109.5° |
C50 | C51 | H14 | 109.4° | 109.5° |
C51 | C50 | H15 | 109.7° | 109.5° |
C51 | C50 | H16 | 109.7° | 109.5° |
O13 | C10 | C9 | 107.2° | 109.5° |
O13 | C10 | C11 | 111.3° | 109.5° |
C10 | O13 | H30 | 109.5° | 114.0° |
C4 | C53 | C52 | 105.1° | 109.5° |
C53 | C4 | H1 | 108.3° | 109.5° |
C4 | C53 | H9 | 110.6° | 109.5° |
C4 | C53 | H10 | 110.5° | 109.5° |
C9 | C10 | C11 | 115.6° | 109.5° |
C10 | C9 | O21 | 109.6° | 109.5° |
C10 | C9 | H22 | 108.4° | 109.4° |
C10 | C11 | H24 | 109.5° | 109.5° |
C10 | C11 | H25 | 109.4° | 109.5° |
C10 | C11 | H26 | 109.5° | 109.5° |
O21 | C9 | H22 | 111.1° | 109.5° |
C9 | O21 | H23 | 109.5° | 114.0° |
C51 | C52 | C53 | 107.6° | 109.5° |
C51 | C52 | H11 | 110.0° | 109.4° |
C51 | C52 | H12 | 110.0° | 109.5° |
C52 | C51 | H13 | 109.4° | 109.5° |
C52 | C51 | H14 | 109.5° | 109.5° |
C52 | C53 | H9 | 110.5° | 109.5° |
C52 | C53 | H10 | 110.6° | 109.4° |
C53 | C52 | H11 | 109.9° | 109.5° |
C53 | C52 | H12 | 110.0° | 109.5° |
H3 | C6 | H4 | 109.4° | 109.4° |
H5 | C7 | H6 | 109.5° | 109.5° |
H9 | C53 | H10 | 109.5° | 109.5° |
H11 | C52 | H12 | 109.4° | 109.5° |
H13 | C51 | H14 | 109.5° | 109.5° |
H15 | C50 | H16 | 109.5° | 109.5° |
H18 | C2 | H19 | 109.5° | 109.5° |
H20 | C1 | H21 | 109.5° | 109.4° |
H24 | C11 | H25 | 109.5° | 109.5° |
H24 | C11 | H26 | 109.4° | 109.4° |
H25 | C11 | H26 | 109.5° | 109.4° |
H27 | C12 | H28 | 109.5° | 109.4° |
H27 | C12 | H29 | 109.4° | 109.5° |
H28 | C12 | H29 | 109.5° | 109.5° |
H32 | C40 | H33 | 109.5° | 109.4° |
H36 | C46 | H37 | 109.5° | 109.5° |
H36 | C46 | H38 | 109.5° | 109.4° |
H37 | C46 | H38 | 109.5° | 109.5° |
H43 | C38 | H44 | 109.4° | 109.5° |
H43 | C38 | H45 | 109.5° | 109.4° |
H44 | C38 | H45 | 109.5° | 109.5° |
H47 | C30 | H48 | 109.5° | 109.5° |
H50 | C32 | H51 | 109.4° | 109.5° |
H52 | C33 | H53 | 109.5° | 109.6° |
H54 | C35 | H55 | 109.5° | 109.5° |
H56 | C36 | H57 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N31 | C30 | C29 | H47 | 120.8° | 120.0° |
N31 | C30 | C29 | H48 | 120.8° | 120.0° |
C30 | N31 | C32 | C33 | 171.8° | 177.6° |
C30 | N31 | C32 | C36 | 127.1° | 123.8° |
N31 | C30 | C29 | O37 | 66.1° | 0.0° |
N31 | C30 | C29 | N28 | 115.9° | 180.0° |
C30 | N31 | C36 | C35 | 170.9° | 177.6° |
N31 | C30 | H47 | H48 | 117.5° | 120.1° |
C30 | N31 | C32 | H50 | 68.7° | 57.7° |
C30 | N31 | C32 | H51 | 52.2° | 62.5° |
C30 | N31 | C36 | H56 | 68.8° | 62.4° |
C30 | N31 | C36 | H57 | 50.5° | 57.6° |
C29 | C30 | N31 | C32 | 76.6° | 66.3° |
C29 | C30 | N31 | C36 | 45.5° | 170.0° |
C30 | C29 | O37 | N28 | 177.8° | 179.9° |
C30 | C29 | N28 | C27 | 178.8° | 180.0° |
C30 | C29 | N28 | H46 | 1.2° | 0.1° |
C29 | C30 | H47 | H48 | 117.5° | 120.0° |
C33 | C32 | N31 | H50 | 119.5° | 119.9° |
C33 | C32 | N31 | H51 | 119.5° | 119.9° |
C32 | C33 | O34 | H52 | 120.3° | 119.9° |
C32 | C33 | O34 | H53 | 120.3° | 120.0° |
C33 | C32 | N31 | C36 | 61.2° | 58.6° |
C32 | C33 | O34 | C35 | 55.7° | 58.7° |
C33 | C32 | H50 | H51 | 121.4° | 120.1° |
C32 | C33 | H52 | H53 | 119.0° | 120.2° |
N31 | C32 | C33 | O34 | 58.2° | 56.8° |
C32 | N31 | C36 | C35 | 65.8° | 58.6° |
C32 | N31 | C30 | H47 | 44.2° | 53.6° |
C32 | N31 | C30 | H48 | 162.6° | 173.7° |
N31 | C32 | H50 | H51 | 121.4° | 120.1° |
N31 | C32 | C33 | H52 | 62.1° | 63.1° |
N31 | C32 | C33 | H53 | 178.5° | 176.8° |
C32 | N31 | C36 | H56 | 54.6° | 61.3° |
C32 | N31 | C36 | H57 | 173.8° | 178.6° |
C33 | O34 | C35 | C36 | 54.8° | 58.6° |
O34 | C33 | C32 | H50 | 61.3° | 176.8° |
O34 | C33 | C32 | H51 | 177.8° | 63.1° |
O34 | C33 | H52 | H53 | 119.0° | 120.0° |
C33 | O34 | C35 | H54 | 65.1° | 61.3° |
C33 | O34 | C35 | H55 | 174.6° | 178.7° |
N31 | C36 | C35 | O34 | 60.8° | 56.8° |
N31 | C36 | C35 | H56 | 120.4° | 119.9° |
N31 | C36 | C35 | H57 | 120.4° | 120.0° |
C36 | N31 | C30 | H47 | 166.3° | 70.0° |
C36 | N31 | C30 | H48 | 75.3° | 50.0° |
C36 | N31 | C32 | H50 | 58.4° | 178.5° |
C36 | N31 | C32 | H51 | 179.3° | 61.3° |
N31 | C36 | C35 | H54 | 59.1° | 63.1° |
N31 | C36 | C35 | H55 | 179.4° | 176.8° |
N31 | C36 | H56 | H57 | 118.9° | 120.1° |
O37 | C29 | N28 | C27 | 0.8° | 0.1° |
O37 | C29 | N28 | H46 | 179.1° | 179.9° |
O37 | C29 | C30 | H47 | 54.7° | 120.0° |
O37 | C29 | C30 | H48 | 173.2° | 120.0° |
C29 | N28 | C27 | H46 | 180.0° | 179.9° |
C29 | N28 | C27 | C38 | 151.0° | 85.0° |
C29 | N28 | C27 | C26 | 88.5° | 155.0° |
C29 | N28 | C27 | H42 | 31.7° | 35.0° |
N28 | C29 | C30 | H47 | 123.3° | 60.1° |
N28 | C29 | C30 | H48 | 4.9° | 59.9° |
N28 | C27 | C38 | C26 | 121.3° | 120.0° |
N28 | C27 | C38 | H42 | 119.9° | 120.0° |
N28 | C27 | C26 | H42 | 120.7° | 120.0° |
N28 | C27 | C26 | O39 | 25.8° | 0.0° |
N28 | C27 | C26 | N25 | 155.3° | 180.0° |
N28 | C27 | C38 | H43 | 180.0° | 60.0° |
N28 | C27 | C38 | H44 | 60.0° | 180.0° |
N28 | C27 | C38 | H45 | 60.0° | 59.9° |
O34 | C35 | C36 | H54 | 119.8° | 119.9° |
O34 | C35 | C36 | H55 | 119.9° | 120.0° |
C35 | O34 | C33 | H52 | 64.6° | 61.3° |
C35 | O34 | C33 | H53 | 176.1° | 178.6° |
O34 | C35 | H54 | H55 | 120.5° | 120.1° |
O34 | C35 | C36 | H56 | 59.6° | 63.1° |
O34 | C35 | C36 | H57 | 178.8° | 176.8° |
C36 | C35 | H54 | H55 | 120.5° | 120.2° |
C35 | C36 | H56 | H57 | 118.8° | 120.1° |
C38 | C27 | C26 | H42 | 118.7° | 120.0° |
C38 | C27 | C26 | O39 | 94.8° | 120.0° |
C38 | C27 | C26 | N25 | 84.1° | 60.0° |
C27 | C38 | H43 | H44 | 120.0° | 120.0° |
C27 | C38 | H43 | H45 | 120.0° | 120.0° |
C27 | C38 | H44 | H45 | 120.0° | 120.1° |
C38 | C27 | N28 | H46 | 29.0° | 95.1° |
C27 | C26 | O39 | N25 | 178.8° | 180.0° |
C27 | C26 | N25 | C24 | 177.8° | 180.0° |
C27 | C26 | N25 | H41 | 2.2° | 0.0° |
C26 | C27 | C38 | H43 | 58.7° | 60.0° |
C26 | C27 | C38 | H44 | 178.7° | 60.0° |
C26 | C27 | C38 | H45 | 61.3° | 179.9° |
C26 | C27 | N28 | H46 | 91.5° | 24.9° |
O39 | C26 | N25 | C24 | 1.1° | 0.0° |
O39 | C26 | N25 | H41 | 178.9° | 180.0° |
O39 | C26 | C27 | H42 | 146.5° | 120.0° |
C26 | N25 | C24 | H41 | 180.0° | 180.0° |
C26 | N25 | C24 | C40 | 113.8° | 85.0° |
C26 | N25 | C24 | C23 | 128.4° | 155.0° |
C26 | N25 | C24 | H8 | 8.6° | 35.0° |
N25 | C26 | C27 | H42 | 34.5° | 60.0° |
C48 | C47 | C44 | H39 | 180.0° | 179.5° |
C47 | C48 | C41 | H40 | 180.0° | 179.5° |
C48 | C47 | C44 | O45 | 180.0° | 179.7° |
C48 | C47 | C44 | C43 | 0.1° | 0.3° |
C47 | C48 | C41 | C40 | 179.8° | 179.7° |
C47 | C48 | C41 | C42 | 0.0° | 0.5° |
C44 | C47 | C48 | C41 | 0.1° | 0.5° |
C47 | C44 | O45 | C43 | 179.9° | 180.0° |
C47 | C44 | O45 | C46 | 174.6° | 0.0° |
C47 | C44 | C43 | C42 | 0.1° | 0.0° |
C47 | C44 | C43 | H35 | 179.9° | 180.0° |
C44 | C47 | C48 | H40 | 179.9° | 180.0° |
C48 | C41 | C40 | C42 | 179.8° | 179.8° |
C48 | C41 | C40 | C24 | 86.2° | 90.3° |
C48 | C41 | C42 | C43 | 0.1° | 0.3° |
C48 | C41 | C40 | H32 | 153.7° | 149.7° |
C48 | C41 | C40 | H33 | 33.8° | 29.8° |
C48 | C41 | C42 | H34 | 179.9° | 179.7° |
C41 | C48 | C47 | H39 | 179.9° | 180.0° |
O45 | C44 | C43 | C42 | 179.8° | 180.0° |
O45 | C44 | C43 | H35 | 0.2° | 0.0° |
C44 | O45 | C46 | H36 | 180.0° | 60.1° |
C44 | O45 | C46 | H37 | 60.0° | 60.0° |
C44 | O45 | C46 | H38 | 60.0° | 180.0° |
O45 | C44 | C47 | H39 | 0.0° | 0.2° |
C46 | O45 | C44 | C43 | 5.5° | 180.0° |
O45 | C46 | H36 | H37 | 120.0° | 120.1° |
O45 | C46 | H36 | H38 | 120.0° | 119.9° |
O45 | C46 | H37 | H38 | 120.0° | 120.0° |
N25 | C24 | C40 | C41 | 74.3° | 65.0° |
N25 | C24 | C40 | C23 | 115.9° | 120.0° |
N25 | C24 | C40 | H8 | 123.0° | 120.0° |
N25 | C24 | C23 | H8 | 120.3° | 120.0° |
N25 | C24 | C23 | O49 | 19.7° | 0.0° |
N25 | C24 | C23 | N22 | 162.2° | 180.0° |
N25 | C24 | C40 | H32 | 165.7° | 55.1° |
N25 | C24 | C40 | H33 | 45.8° | 175.0° |
C44 | C43 | C42 | C41 | 0.2° | 0.0° |
C44 | C43 | C42 | H35 | 180.0° | 180.0° |
C44 | C43 | C42 | H34 | 179.8° | 180.0° |
C43 | C44 | C47 | H39 | 179.9° | 179.7° |
C41 | C40 | C24 | H32 | 120.0° | 120.0° |
C41 | C40 | C24 | H33 | 120.0° | 120.1° |
C41 | C40 | C24 | C23 | 169.8° | 175.0° |
C40 | C41 | C42 | C43 | 180.0° | 180.0° |
C41 | C40 | C24 | H8 | 48.7° | 55.0° |
C41 | C40 | H32 | H33 | 119.8° | 120.0° |
C40 | C41 | C42 | H34 | 0.0° | 0.0° |
C40 | C41 | C48 | H40 | 0.2° | 0.2° |
C42 | C41 | C40 | C24 | 93.6° | 90.0° |
C41 | C42 | C43 | H34 | 180.0° | 180.0° |
C42 | C41 | C40 | H32 | 26.4° | 30.0° |
C42 | C41 | C40 | H33 | 146.4° | 150.0° |
C41 | C42 | C43 | H35 | 179.8° | 180.0° |
C42 | C41 | C48 | H40 | 180.0° | 180.0° |
C40 | C24 | C23 | H8 | 120.9° | 120.0° |
C40 | C24 | C23 | O49 | 99.1° | 120.0° |
C40 | C24 | C23 | N22 | 79.0° | 60.0° |
C24 | C40 | H32 | H33 | 119.9° | 119.9° |
C40 | C24 | N25 | H41 | 66.2° | 95.1° |
C24 | C23 | O49 | N22 | 177.9° | 180.0° |
C24 | C23 | N22 | C8 | 176.1° | 180.0° |
C24 | C23 | N22 | H31 | 3.9° | 0.0° |
C23 | C24 | C40 | H32 | 49.8° | 65.0° |
C23 | C24 | C40 | H33 | 70.2° | 54.9° |
C23 | C24 | N25 | H41 | 51.6° | 25.0° |
O49 | C23 | N22 | C8 | 1.9° | 0.1° |
O49 | C23 | C24 | H8 | 140.0° | 120.0° |
O49 | C23 | N22 | H31 | 178.1° | 180.0° |
C2 | C1 | C6 | H20 | 120.1° | 120.0° |
C2 | C1 | C6 | H21 | 120.1° | 120.0° |
C1 | C2 | C3 | H18 | 120.1° | 120.0° |
C1 | C2 | C3 | H19 | 120.1° | 120.0° |
C2 | C1 | C6 | C5 | 64.4° | 60.0° |
C1 | C2 | C3 | C50 | 179.2° | 180.0° |
C1 | C2 | C3 | C4 | 57.3° | 60.0° |
C2 | C1 | C6 | H3 | 175.8° | 60.0° |
C2 | C1 | C6 | H4 | 55.4° | 180.0° |
C1 | C2 | C3 | H17 | 61.8° | 60.0° |
C1 | C2 | H18 | H19 | 119.7° | 120.0° |
C2 | C1 | H20 | H21 | 119.7° | 120.0° |
C6 | C1 | C2 | C3 | 62.7° | 60.0° |
C1 | C6 | C5 | H3 | 119.8° | 120.0° |
C1 | C6 | C5 | H4 | 119.7° | 120.0° |
C1 | C6 | C5 | C4 | 62.0° | 60.0° |
C1 | C6 | C5 | C7 | 177.8° | 180.0° |
C1 | C6 | C5 | H2 | 56.6° | 60.0° |
C1 | C6 | H3 | H4 | 120.7° | 120.0° |
C6 | C1 | C2 | H18 | 57.4° | 180.0° |
C6 | C1 | C2 | H19 | 177.2° | 60.0° |
C6 | C1 | H20 | H21 | 119.8° | 120.0° |
C23 | N22 | C8 | H31 | 180.0° | 179.9° |
C23 | N22 | C8 | C7 | 117.7° | 155.0° |
C23 | N22 | C8 | C9 | 119.6° | 85.0° |
C23 | N22 | C8 | H7 | 1.9° | 35.0° |
N22 | C23 | C24 | H8 | 41.9° | 60.0° |
C2 | C3 | C50 | C4 | 121.2° | 120.0° |
C2 | C3 | C50 | H17 | 119.0° | 120.0° |
C2 | C3 | C4 | H17 | 119.3° | 120.0° |
C2 | C3 | C4 | C5 | 56.5° | 60.0° |
C2 | C3 | C50 | C51 | 175.9° | 180.0° |
C2 | C3 | C4 | C53 | 178.9° | 180.0° |
C2 | C3 | C4 | H1 | 60.7° | 60.0° |
C2 | C3 | C50 | H15 | 56.0° | 60.0° |
C2 | C3 | C50 | H16 | 64.3° | 60.0° |
C3 | C2 | H18 | H19 | 119.8° | 120.0° |
C3 | C2 | C1 | H20 | 57.4° | 180.0° |
C3 | C2 | C1 | H21 | 177.2° | 60.0° |
C6 | C5 | C4 | C3 | 58.2° | 60.0° |
C6 | C5 | C4 | C7 | 121.8° | 120.0° |
C6 | C5 | C4 | H2 | 118.5° | 120.0° |
C6 | C5 | C7 | H2 | 121.0° | 120.0° |
C6 | C5 | C7 | C8 | 58.3° | 65.0° |
C6 | C5 | C4 | C53 | 178.0° | 180.0° |
C6 | C5 | C4 | H1 | 59.0° | 60.0° |
C5 | C6 | H3 | H4 | 120.7° | 120.0° |
C6 | C5 | C7 | H5 | 62.3° | 55.0° |
C6 | C5 | C7 | H6 | 178.9° | 175.0° |
C5 | C6 | C1 | H20 | 55.7° | 179.9° |
C5 | C6 | C1 | H21 | 175.5° | 60.0° |
C12 | C10 | C9 | C8 | 16.5° | 53.8° |
C12 | C10 | O13 | C9 | 123.7° | 120.0° |
C12 | C10 | O13 | C11 | 108.9° | 120.0° |
C12 | C10 | C9 | C11 | 117.9° | 120.0° |
C12 | C10 | C9 | O21 | 133.2° | 66.2° |
C12 | C10 | C9 | H22 | 105.3° | 173.8° |
C12 | C10 | C11 | H24 | 180.0° | 60.0° |
C12 | C10 | C11 | H25 | 60.0° | 60.1° |
C12 | C10 | C11 | H26 | 60.0° | 180.0° |
C10 | C12 | H27 | H28 | 120.0° | 120.0° |
C10 | C12 | H27 | H29 | 120.0° | 120.0° |
C10 | C12 | H28 | H29 | 120.0° | 120.0° |
C12 | C10 | O13 | H30 | 180.0° | 60.1° |
N22 | C8 | C7 | C5 | 60.4° | 60.0° |
N22 | C8 | C7 | C9 | 120.5° | 120.0° |
N22 | C8 | C7 | H7 | 120.1° | 120.0° |
N22 | C8 | C9 | H7 | 118.3° | 120.0° |
N22 | C8 | C9 | C10 | 66.6° | 173.5° |
N22 | C8 | C9 | O21 | 52.9° | 53.5° |
N22 | C8 | C7 | H5 | 179.0° | 179.9° |
N22 | C8 | C7 | H6 | 60.2° | 59.9° |
N22 | C8 | C9 | H22 | 172.1° | 66.5° |
C50 | C3 | C4 | H17 | 119.8° | 120.0° |
C50 | C3 | C4 | C5 | 177.4° | 180.0° |
C3 | C50 | C51 | H15 | 119.9° | 120.0° |
C3 | C50 | C51 | H16 | 119.9° | 120.0° |
C50 | C3 | C4 | C53 | 58.0° | 60.0° |
C3 | C50 | C51 | C52 | 59.9° | 60.0° |
C50 | C3 | C4 | H1 | 60.2° | 60.0° |
C3 | C50 | C51 | H13 | 179.9° | 60.0° |
C3 | C50 | C51 | H14 | 60.2° | 180.0° |
C3 | C50 | H15 | H16 | 120.4° | 120.0° |
C50 | C3 | C2 | H18 | 59.1° | 60.0° |
C50 | C3 | C2 | H19 | 60.7° | 60.0° |
C3 | C4 | C5 | C53 | 123.8° | 120.0° |
C3 | C4 | C5 | H1 | 117.3° | 120.0° |
C3 | C4 | C5 | C7 | 179.9° | 180.0° |
C4 | C3 | C50 | C51 | 54.6° | 60.0° |
C3 | C4 | C53 | H1 | 117.9° | 120.0° |
C3 | C4 | C53 | C52 | 62.4° | 60.0° |
C3 | C4 | C5 | H2 | 60.2° | 60.0° |
C3 | C4 | C53 | H9 | 56.9° | 60.0° |
C3 | C4 | C53 | H10 | 178.3° | 180.0° |
C4 | C3 | C50 | H15 | 65.3° | 180.0° |
C4 | C3 | C50 | H16 | 174.5° | 60.0° |
C4 | C3 | C2 | H18 | 62.8° | 180.0° |
C4 | C3 | C2 | H19 | 177.4° | 60.0° |
C4 | C5 | C7 | H2 | 119.6° | 120.0° |
C4 | C5 | C7 | C8 | 177.7° | 175.0° |
C5 | C4 | C53 | H1 | 118.6° | 120.0° |
C5 | C4 | C53 | C52 | 174.1° | 180.0° |
C4 | C5 | C6 | H3 | 178.2° | 60.0° |
C4 | C5 | C6 | H4 | 57.7° | 180.0° |
C4 | C5 | C7 | H5 | 57.1° | 65.0° |
C4 | C5 | C7 | H6 | 61.7° | 55.0° |
C5 | C4 | C53 | H9 | 66.6° | 60.0° |
C5 | C4 | C53 | H10 | 54.8° | 60.0° |
C5 | C4 | C3 | H17 | 62.7° | 60.0° |
C5 | C7 | C8 | H5 | 120.6° | 120.0° |
C5 | C7 | C8 | H6 | 120.6° | 120.0° |
C5 | C7 | C8 | C9 | 179.1° | 180.0° |
C7 | C5 | C4 | C53 | 56.2° | 60.0° |
C7 | C5 | C4 | H1 | 62.8° | 60.0° |
C7 | C5 | C6 | H3 | 58.0° | 60.0° |
C7 | C5 | C6 | H4 | 62.4° | 60.0° |
C5 | C7 | H5 | H6 | 118.2° | 120.0° |
C5 | C7 | C8 | H7 | 59.6° | 60.0° |
C7 | C8 | C9 | H7 | 119.6° | 119.9° |
C7 | C8 | C9 | C10 | 171.2° | 66.5° |
C7 | C8 | C9 | O21 | 69.3° | 173.5° |
C8 | C7 | C5 | H2 | 62.7° | 54.9° |
C8 | C7 | H5 | H6 | 118.2° | 120.0° |
C7 | C8 | C9 | H22 | 49.9° | 53.5° |
C7 | C8 | N22 | H31 | 62.3° | 25.0° |
C8 | C9 | C10 | O13 | 100.9° | 66.1° |
C8 | C9 | C10 | O21 | 116.7° | 120.0° |
C8 | C9 | C10 | H22 | 121.8° | 120.0° |
C8 | C9 | C10 | C11 | 134.4° | 173.8° |
C8 | C9 | O21 | H22 | 118.0° | 120.0° |
C9 | C8 | C7 | H5 | 58.5° | 59.9° |
C9 | C8 | C7 | H6 | 60.3° | 60.1° |
C8 | C9 | O21 | H23 | 180.0° | 60.0° |
C9 | C8 | N22 | H31 | 60.4° | 95.0° |
C50 | C51 | C52 | H13 | 120.0° | 120.0° |
C50 | C51 | C52 | H14 | 120.0° | 120.0° |
C50 | C51 | C52 | C53 | 67.4° | 60.0° |
C50 | C51 | C52 | H11 | 52.3° | 180.0° |
C50 | C51 | C52 | H12 | 172.9° | 60.0° |
C50 | C51 | H13 | H14 | 119.9° | 120.0° |
C51 | C50 | H15 | H16 | 120.4° | 120.0° |
C51 | C50 | C3 | H17 | 65.1° | 60.0° |
O13 | C10 | C9 | C11 | 124.7° | 120.1° |
O13 | C10 | C9 | O21 | 15.8° | 173.8° |
O13 | C10 | C9 | H22 | 137.3° | 53.9° |
O13 | C10 | C11 | H24 | 68.2° | 180.0° |
O13 | C10 | C11 | H25 | 51.8° | 59.9° |
O13 | C10 | C11 | H26 | 171.8° | 60.1° |
O13 | C10 | C12 | H27 | 180.0° | 60.0° |
O13 | C10 | C12 | H28 | 60.0° | 60.0° |
O13 | C10 | C12 | H29 | 60.0° | 180.0° |
C4 | C53 | C52 | C51 | 66.6° | 60.0° |
C4 | C53 | C52 | H9 | 119.3° | 120.0° |
C4 | C53 | C52 | H10 | 119.3° | 120.0° |
C53 | C4 | C5 | H2 | 63.5° | 60.0° |
C4 | C53 | H9 | H10 | 122.0° | 120.0° |
C4 | C53 | C52 | H11 | 53.1° | 180.0° |
C4 | C53 | C52 | H12 | 173.7° | 60.0° |
C53 | C4 | C3 | H17 | 61.9° | 60.0° |
C10 | C9 | O21 | H22 | 119.8° | 120.0° |
C10 | C9 | C8 | H7 | 51.6° | 53.5° |
C10 | C9 | O21 | H23 | 57.8° | 180.0° |
C9 | C10 | C11 | H24 | 54.4° | 59.9° |
C9 | C10 | C11 | H25 | 174.4° | 180.0° |
C9 | C10 | C11 | H26 | 65.6° | 60.0° |
C9 | C10 | C12 | H27 | 61.7° | 60.0° |
C9 | C10 | C12 | H28 | 178.3° | 180.0° |
C9 | C10 | C12 | H29 | 58.3° | 60.0° |
C9 | C10 | O13 | H30 | 56.3° | 180.0° |
C11 | C10 | C9 | O21 | 108.9° | 53.8° |
C11 | C10 | C9 | H22 | 12.6° | 66.2° |
C10 | C11 | H24 | H25 | 120.0° | 120.1° |
C10 | C11 | H24 | H26 | 120.0° | 120.0° |
C10 | C11 | H25 | H26 | 120.0° | 120.0° |
C11 | C10 | C12 | H27 | 64.0° | 180.0° |
C11 | C10 | C12 | H28 | 56.1° | 60.0° |
C11 | C10 | C12 | H29 | 176.0° | 60.0° |
C11 | C10 | O13 | H30 | 71.1° | 59.9° |
O21 | C9 | C8 | H7 | 171.1° | 66.6° |
C51 | C52 | C53 | H11 | 119.7° | 120.0° |
C51 | C52 | C53 | H12 | 119.7° | 120.0° |
C51 | C52 | C53 | H9 | 52.7° | 60.0° |
C51 | C52 | C53 | H10 | 174.1° | 180.0° |
C51 | C52 | H11 | H12 | 120.9° | 120.0° |
C52 | C51 | H13 | H14 | 120.0° | 120.0° |
C52 | C51 | C50 | H15 | 60.0° | 180.0° |
C52 | C51 | C50 | H16 | 179.7° | 60.0° |
C52 | C53 | C4 | H1 | 55.5° | 60.0° |
C52 | C53 | H9 | H10 | 122.0° | 119.9° |
C53 | C52 | H11 | H12 | 120.9° | 120.1° |
C53 | C52 | C51 | H13 | 172.6° | 60.0° |
C53 | C52 | C51 | H14 | 52.6° | 180.0° |
H1 | C4 | C5 | H2 | 177.5° | 180.0° |
H1 | C4 | C53 | H9 | 174.8° | 180.0° |
H1 | C4 | C53 | H10 | 63.8° | 60.0° |
H1 | C4 | C3 | H17 | 179.9° | 180.0° |
H2 | C5 | C6 | H3 | 63.2° | 180.0° |
H2 | C5 | C6 | H4 | 176.3° | 60.0° |
H2 | C5 | C7 | H5 | 176.7° | 175.0° |
H2 | C5 | C7 | H6 | 57.9° | 65.0° |
H3 | C6 | C1 | H20 | 64.1° | 60.0° |
H3 | C6 | C1 | H21 | 55.7° | 180.0° |
H4 | C6 | C1 | H20 | 175.4° | 59.9° |
H4 | C6 | C1 | H21 | 64.7° | 60.0° |
H5 | C7 | C8 | H7 | 61.0° | 60.0° |
H6 | C7 | C8 | H7 | 179.8° | 180.0° |
H7 | C8 | C9 | H22 | 69.7° | 173.4° |
H7 | C8 | N22 | H31 | 178.1° | 145.0° |
H8 | C24 | C40 | H32 | 71.3° | 175.1° |
H8 | C24 | C40 | H33 | 168.7° | 65.0° |
H8 | C24 | N25 | H41 | 171.4° | 145.0° |
H9 | C53 | C52 | H11 | 172.4° | 59.9° |
H9 | C53 | C52 | H12 | 67.0° | 180.0° |
H10 | C53 | C52 | H11 | 66.2° | 60.0° |
H10 | C53 | C52 | H12 | 54.4° | 60.0° |
H11 | C52 | C51 | H13 | 67.7° | 60.0° |
H11 | C52 | C51 | H14 | 172.3° | 60.0° |
H12 | C52 | C51 | H13 | 52.9° | 180.0° |
H12 | C52 | C51 | H14 | 67.1° | 60.0° |
H13 | C51 | C50 | H15 | 60.0° | 60.0° |
H13 | C51 | C50 | H16 | 60.3° | 180.0° |
H14 | C51 | C50 | H15 | 180.0° | 60.0° |
H14 | C51 | C50 | H16 | 59.7° | 60.0° |
H15 | C50 | C3 | H17 | 175.0° | 60.0° |
H16 | C50 | C3 | H17 | 54.7° | 180.0° |
H17 | C3 | C2 | H18 | 178.1° | 60.0° |
H17 | C3 | C2 | H19 | 58.3° | 180.0° |
H18 | C2 | C1 | H20 | 177.5° | 60.0° |
H18 | C2 | C1 | H21 | 62.7° | 60.0° |
H19 | C2 | C1 | H20 | 62.7° | 60.0° |
H19 | C2 | C1 | H21 | 57.1° | 180.0° |
H22 | C9 | O21 | H23 | 62.0° | 60.0° |
H24 | C11 | H25 | H26 | 120.0° | 119.9° |
H27 | C12 | H28 | H29 | 120.0° | 120.1° |
H34 | C42 | C43 | H35 | 0.2° | 0.0° |
H36 | C46 | H37 | H38 | 120.0° | 120.0° |
H39 | C47 | C48 | H40 | 0.1° | 0.5° |
H42 | C27 | C38 | H43 | 60.1° | 180.0° |
H42 | C27 | C38 | H44 | 59.9° | 60.0° |
H42 | C27 | C38 | H45 | 179.9° | 60.1° |
H42 | C27 | N28 | H46 | 148.3° | 144.9° |
H43 | C38 | H44 | H45 | 120.0° | 119.9° |
H50 | C32 | C33 | H52 | 178.3° | 56.9° |
H50 | C32 | C33 | H53 | 59.0° | 63.3° |
H51 | C32 | C33 | H52 | 57.4° | 177.0° |
H51 | C32 | C33 | H53 | 61.9° | 56.8° |
H54 | C35 | C36 | H56 | 179.5° | 177.0° |
H54 | C35 | C36 | H57 | 61.3° | 56.9° |
H55 | C35 | C36 | H56 | 60.2° | 56.9° |
H55 | C35 | C36 | H57 | 59.0° | 63.2° |