JSE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
RU | C11 | sing | 2.21Å | 2.21Å | |
RU | C12 | sing | 2.20Å | 2.20Å | |
RU | C13 | sing | 2.19Å | 2.19Å | |
RU | C14 | sing | 2.18Å | 2.18Å | |
RU | C15 | sing | 2.19Å | 2.19Å | |
RU | C16 | sing | 2.21Å | 2.21Å | |
RU | C17 | sing | 2.20Å | 2.20Å | |
RU | C18 | sing | 2.16Å | 2.16Å | |
RU | C19 | sing | 2.19Å | 2.19Å | |
RU | C20 | sing | 2.18Å | 2.18Å | |
C11 | C12 | sing | 1.38Å | 1.38Å | |
C11 | C15 | sing | 1.38Å | 1.38Å | |
C12 | C13 | sing | 1.38Å | 1.38Å | |
C13 | C14 | sing | 1.38Å | 1.38Å | |
C14 | C15 | sing | 1.39Å | 1.39Å | |
C16 | C17 | sing | 1.39Å | 1.39Å | |
C16 | C20 | sing | 1.38Å | 1.38Å | |
C17 | C18 | sing | 1.38Å | 1.38Å | |
C18 | C19 | sing | 1.39Å | 1.39Å | |
C18 | C24 | sing | 1.48Å | 1.48Å | |
C19 | C20 | sing | 1.39Å | 1.39Å | |
C24 | C25 | sing | 1.52Å | 1.52Å | |
C24 | O28 | doub | 1.22Å | 1.22Å | |
C25 | C26 | sing | 1.51Å | 1.51Å | |
C26 | C27 | sing | 1.50Å | 1.50Å | |
C27 | O29 | doub | 1.23Å | 1.23Å | |
C27 | N30 | sing | 1.32Å | 1.32Å | |
N30 | C31 | sing | 1.43Å | 1.43Å | |
C31 | C32 | sing | 1.50Å | 1.50Å | |
C31 | C34 | sing | 1.52Å | 1.52Å | |
C32 | O38 | doub | 1.23Å | 1.23Å | |
C32 | O67 | sing | 1.33Å | 1.33Å | |
N33 | C34 | sing | 1.45Å | 1.45Å | |
N33 | C51 | sing | 1.45Å | 1.45Å | |
C34 | S49 | sing | 1.77Å | 1.77Å | |
S49 | C50 | sing | 1.79Å | 1.79Å | |
C50 | C51 | sing | 1.55Å | 1.55Å | |
C50 | C52 | sing | 1.53Å | 1.53Å | |
C50 | C53 | sing | 1.54Å | 1.54Å | |
C51 | C63 | sing | 1.49Å | 1.49Å | |
C63 | O64 | doub | 1.22Å | 1.22Å | |
C63 | O65 | sing | 1.32Å | 1.32Å | |
C25 | H10 | sing | 1.10Å | 1.10Å | |
C25 | H11 | sing | 1.10Å | 1.10Å | |
C26 | H12 | sing | 1.10Å | 1.10Å | |
C26 | H13 | sing | 1.10Å | 1.10Å | |
N30 | H14 | sing | 1.00Å | 1.00Å | |
C31 | H15 | sing | 1.10Å | 1.10Å | |
N33 | H16 | sing | 1.00Å | 1.00Å | |
C34 | H18 | sing | 1.10Å | 1.10Å | |
C51 | H19 | sing | 1.10Å | 1.10Å | |
C52 | H20 | sing | 1.10Å | 1.10Å | |
C52 | H21 | sing | 1.10Å | 1.10Å | |
C52 | H22 | sing | 1.10Å | 1.10Å | |
C53 | H23 | sing | 1.10Å | 1.10Å | |
C53 | H24 | sing | 1.10Å | 1.10Å | |
C53 | H25 | sing | 1.10Å | 1.10Å | |
O65 | H26 | sing | 0.95Å | 0.95Å | |
O67 | H27 | sing | 0.95Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | RU | C12 | 36.6° | 36.6° |
C11 | RU | C13 | 61.0° | 61.0° |
C11 | RU | C14 | 61.5° | 61.5° |
C11 | RU | C15 | 36.7° | 36.7° |
C11 | RU | C16 | 111.0° | 111.0° |
C11 | RU | C17 | 119.6° | 119.6° |
C11 | RU | C18 | 150.9° | 150.9° |
C11 | RU | C19 | 166.8° | 166.8° |
C11 | RU | C20 | 130.1° | 130.1° |
RU | C11 | C12 | 71.3° | 71.3° |
RU | C11 | C15 | 70.9° | 70.9° |
C12 | RU | C13 | 36.7° | 36.7° |
C12 | RU | C14 | 61.7° | 61.7° |
C12 | RU | C15 | 61.5° | 61.5° |
C12 | RU | C16 | 120.3° | 120.3° |
C12 | RU | C17 | 149.1° | 149.1° |
C12 | RU | C18 | 172.3° | 172.3° |
C12 | RU | C19 | 136.0° | 136.0° |
C12 | RU | C20 | 114.2° | 114.2° |
RU | C12 | C11 | 72.1° | 72.1° |
RU | C12 | C13 | 71.5° | 71.5° |
C13 | RU | C14 | 36.9° | 36.9° |
C13 | RU | C15 | 61.5° | 61.5° |
C13 | RU | C16 | 152.3° | 152.3° |
C13 | RU | C17 | 170.9° | 170.9° |
C13 | RU | C18 | 138.4° | 138.4° |
C13 | RU | C19 | 120.5° | 120.5° |
C13 | RU | C20 | 125.8° | 125.8° |
RU | C13 | C12 | 71.8° | 71.8° |
RU | C13 | C14 | 71.1° | 71.1° |
C14 | RU | C15 | 37.1° | 37.1° |
C14 | RU | C16 | 166.0° | 166.0° |
C14 | RU | C17 | 134.3° | 134.3° |
C14 | RU | C18 | 118.2° | 118.2° |
C14 | RU | C19 | 128.6° | 128.6° |
C14 | RU | C20 | 157.5° | 157.5° |
RU | C14 | C13 | 72.0° | 72.0° |
RU | C14 | C15 | 71.7° | 71.7° |
C15 | RU | C16 | 129.7° | 129.7° |
C15 | RU | C17 | 113.0° | 113.0° |
C15 | RU | C18 | 123.6° | 123.6° |
C15 | RU | C19 | 156.5° | 156.5° |
C15 | RU | C20 | 163.6° | 163.6° |
RU | C15 | C11 | 72.4° | 72.4° |
RU | C15 | C14 | 71.2° | 71.2° |
C16 | RU | C17 | 36.8° | 36.8° |
C16 | RU | C18 | 61.9° | 61.9° |
C16 | RU | C19 | 61.0° | 61.0° |
C16 | RU | C20 | 36.5° | 36.5° |
RU | C16 | C17 | 71.0° | 71.0° |
RU | C16 | C20 | 70.5° | 70.5° |
C17 | RU | C18 | 37.0° | 37.0° |
C17 | RU | C19 | 61.2° | 61.2° |
C17 | RU | C20 | 61.6° | 61.6° |
RU | C17 | C16 | 72.2° | 72.2° |
RU | C17 | C18 | 70.0° | 70.0° |
C18 | RU | C19 | 37.3° | 37.3° |
C18 | RU | C20 | 62.7° | 62.7° |
RU | C18 | C17 | 73.0° | 73.0° |
RU | C18 | C19 | 72.4° | 72.4° |
RU | C18 | C24 | 120.1° | 120.1° |
C19 | RU | C20 | 37.2° | 37.2° |
RU | C19 | C18 | 70.3° | 70.3° |
RU | C19 | C20 | 71.1° | 71.1° |
RU | C20 | C16 | 73.0° | 73.0° |
RU | C20 | C19 | 71.7° | 71.7° |
C12 | C11 | C15 | 108.2° | 108.2° |
C11 | C12 | C13 | 107.8° | 107.8° |
C11 | C15 | C14 | 107.9° | 107.9° |
C12 | C13 | C14 | 108.5° | 108.5° |
C13 | C14 | C15 | 107.5° | 107.5° |
C17 | C16 | C20 | 108.3° | 108.3° |
C16 | C17 | C18 | 108.4° | 108.4° |
C16 | C20 | C19 | 107.6° | 107.6° |
C17 | C18 | C19 | 107.2° | 107.2° |
C17 | C18 | C24 | 125.0° | 125.0° |
C19 | C18 | C24 | 127.8° | 127.8° |
C18 | C19 | C20 | 108.4° | 108.4° |
C18 | C24 | C25 | 116.7° | 116.7° |
C18 | C24 | O28 | 119.9° | 119.9° |
C25 | C24 | O28 | 123.4° | 123.4° |
C24 | C25 | C26 | 111.9° | 111.9° |
C24 | C25 | H10 | 108.9° | 108.9° |
C24 | C25 | H11 | 108.9° | 108.9° |
C25 | C26 | C27 | 110.5° | 110.5° |
C26 | C25 | H10 | 108.9° | 108.9° |
C26 | C25 | H11 | 108.9° | 108.9° |
C25 | C26 | H12 | 109.2° | 109.2° |
C25 | C26 | H13 | 109.2° | 109.2° |
C26 | C27 | O29 | 121.2° | 121.2° |
C26 | C27 | N30 | 114.9° | 114.9° |
C27 | C26 | H12 | 109.2° | 109.2° |
C27 | C26 | H13 | 109.2° | 109.2° |
O29 | C27 | N30 | 123.8° | 123.8° |
C27 | N30 | C31 | 120.7° | 120.7° |
C27 | N30 | H14 | 119.7° | 119.7° |
N30 | C31 | C32 | 112.6° | 112.6° |
N30 | C31 | C34 | 106.9° | 106.9° |
C31 | N30 | H14 | 119.6° | 119.6° |
N30 | C31 | H15 | 109.2° | 109.2° |
C32 | C31 | C34 | 111.8° | 111.8° |
C31 | C32 | O38 | 123.9° | 123.9° |
C31 | C32 | O67 | 117.3° | 117.3° |
C32 | C31 | H15 | 108.3° | 108.3° |
C31 | C34 | N33 | 112.6° | 112.6° |
C31 | C34 | S49 | 113.3° | 113.3° |
C34 | C31 | H15 | 108.1° | 108.1° |
C31 | C34 | H18 | 109.4° | 109.4° |
O38 | C32 | O67 | 118.7° | 118.7° |
C32 | O67 | H27 | 109.5° | 109.5° |
C34 | N33 | C51 | 112.7° | 112.7° |
N33 | C34 | S49 | 104.2° | 104.2° |
C34 | N33 | H16 | 108.7° | 108.7° |
N33 | C34 | H18 | 110.4° | 110.4° |
N33 | C51 | C50 | 107.9° | 107.9° |
N33 | C51 | C63 | 111.5° | 111.5° |
C51 | N33 | H16 | 108.7° | 108.7° |
N33 | C51 | H19 | 108.8° | 108.8° |
C34 | S49 | C50 | 96.8° | 96.8° |
S49 | C34 | H18 | 106.6° | 106.6° |
S49 | C50 | C51 | 104.9° | 104.9° |
S49 | C50 | C52 | 110.2° | 110.2° |
S49 | C50 | C53 | 110.1° | 110.1° |
C51 | C50 | C52 | 109.0° | 109.0° |
C51 | C50 | C53 | 112.1° | 112.1° |
C50 | C51 | C63 | 112.7° | 112.7° |
C50 | C51 | H19 | 107.6° | 107.6° |
C52 | C50 | C53 | 110.3° | 110.3° |
C50 | C52 | H20 | 109.5° | 109.5° |
C50 | C52 | H21 | 109.4° | 109.4° |
C50 | C52 | H22 | 109.4° | 109.4° |
C50 | C53 | H23 | 109.5° | 109.5° |
C50 | C53 | H24 | 109.5° | 109.5° |
C50 | C53 | H25 | 109.5° | 109.5° |
C51 | C63 | O64 | 120.0° | 120.0° |
C51 | C63 | O65 | 118.8° | 118.8° |
C63 | C51 | H19 | 108.3° | 108.3° |
O64 | C63 | O65 | 120.7° | 120.7° |
C63 | O65 | H26 | 109.5° | 109.5° |
H10 | C25 | H11 | 109.5° | 109.5° |
H12 | C26 | H13 | 109.5° | 109.4° |
H20 | C52 | H21 | 109.5° | 109.5° |
H20 | C52 | H22 | 109.5° | 109.5° |
H21 | C52 | H22 | 109.5° | 109.5° |
H23 | C53 | H24 | 109.5° | 109.5° |
H23 | C53 | H25 | 109.5° | 109.5° |
H24 | C53 | H25 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | RU | C12 | C13 | 116.6° | 116.6° |
C11 | RU | C12 | C14 | 79.4° | 79.4° |
C11 | RU | C12 | C15 | 37.0° | 37.0° |
C11 | RU | C12 | C16 | 84.7° | 84.7° |
C11 | RU | C12 | C17 | 50.7° | 50.7° |
C11 | RU | C12 | C18 | 170.2° | 170.2° |
C11 | RU | C12 | C19 | 163.0° | 163.0° |
C11 | RU | C12 | C20 | 125.4° | 125.4° |
C11 | RU | C13 | C14 | 80.1° | 80.1° |
C11 | RU | C13 | C15 | 42.1° | 42.1° |
C11 | RU | C13 | C16 | 79.9° | 79.9° |
C11 | RU | C13 | C17 | 96.6° | 96.6° |
C11 | RU | C13 | C18 | 151.7° | 151.7° |
C11 | RU | C13 | C19 | 164.9° | 164.9° |
C11 | RU | C13 | C20 | 120.6° | 120.6° |
C11 | RU | C14 | C15 | 37.4° | 37.4° |
C11 | RU | C14 | C16 | 60.3° | 60.3° |
C11 | RU | C14 | C17 | 104.9° | 104.9° |
C11 | RU | C14 | C18 | 146.9° | 146.9° |
C11 | RU | C14 | C19 | 169.8° | 169.8° |
C11 | RU | C14 | C20 | 127.1° | 127.1° |
C11 | RU | C15 | C16 | 70.4° | 70.4° |
C11 | RU | C15 | C17 | 109.2° | 109.2° |
C11 | RU | C15 | C18 | 149.8° | 149.8° |
C11 | RU | C15 | C19 | 179.7° | 179.7° |
C11 | RU | C15 | C20 | 42.0° | 42.0° |
C11 | RU | C16 | C17 | 111.8° | 111.8° |
C11 | RU | C16 | C18 | 148.9° | 148.9° |
C11 | RU | C16 | C19 | 168.4° | 168.4° |
C11 | RU | C16 | C20 | 129.9° | 129.9° |
C11 | RU | C17 | C18 | 156.3° | 156.3° |
C11 | RU | C17 | C19 | 164.9° | 164.9° |
C11 | RU | C17 | C20 | 122.3° | 122.3° |
C11 | RU | C18 | C19 | 160.9° | 160.9° |
C11 | RU | C18 | C20 | 124.2° | 124.2° |
C11 | RU | C19 | C20 | 17.5° | 17.5° |
C11 | RU | C18 | C24 | 75.0° | 75.0° |
C12 | RU | C13 | C14 | 117.7° | 117.7° |
C12 | RU | C13 | C15 | 79.7° | 79.7° |
C12 | RU | C13 | C16 | 42.3° | 42.3° |
C12 | RU | C13 | C17 | 134.2° | 134.2° |
C12 | RU | C13 | C18 | 170.7° | 170.7° |
C12 | RU | C13 | C19 | 127.3° | 127.3° |
C12 | RU | C13 | C20 | 83.0° | 83.0° |
C12 | RU | C14 | C15 | 79.3° | 79.3° |
C12 | RU | C14 | C16 | 102.2° | 102.2° |
C12 | RU | C14 | C17 | 146.7° | 146.7° |
C12 | RU | C14 | C18 | 171.3° | 171.3° |
C12 | RU | C14 | C19 | 128.0° | 128.0° |
C12 | RU | C14 | C20 | 85.3° | 85.3° |
C12 | RU | C15 | C16 | 107.2° | 107.2° |
C12 | RU | C15 | C17 | 146.1° | 146.1° |
C12 | RU | C15 | C18 | 173.3° | 173.3° |
C12 | RU | C15 | C19 | 143.5° | 143.5° |
C12 | RU | C15 | C20 | 78.9° | 78.9° |
C12 | RU | C16 | C17 | 151.3° | 151.3° |
C12 | RU | C16 | C18 | 171.6° | 171.6° |
C12 | RU | C16 | C19 | 128.9° | 128.9° |
C12 | RU | C16 | C20 | 90.5° | 90.5° |
C12 | RU | C17 | C18 | 171.7° | 171.7° |
C12 | RU | C17 | C19 | 132.8° | 132.8° |
C12 | RU | C17 | C20 | 90.3° | 90.3° |
C12 | RU | C18 | C19 | 31.1° | 31.1° |
C12 | RU | C18 | C20 | 67.8° | 67.8° |
C12 | RU | C19 | C20 | 67.2° | 67.2° |
C12 | RU | C18 | C24 | 93.0° | 93.0° |
C13 | RU | C14 | C15 | 116.2° | 116.2° |
C13 | RU | C14 | C16 | 139.1° | 139.1° |
C13 | RU | C14 | C17 | 176.4° | 176.4° |
C13 | RU | C14 | C18 | 134.4° | 134.4° |
C13 | RU | C14 | C19 | 91.1° | 91.1° |
C13 | RU | C14 | C20 | 48.4° | 48.4° |
C13 | RU | C15 | C16 | 149.2° | 149.2° |
C13 | RU | C15 | C17 | 172.0° | 172.0° |
C13 | RU | C15 | C18 | 131.4° | 131.4° |
C13 | RU | C15 | C19 | 101.5° | 101.5° |
C13 | RU | C15 | C20 | 120.9° | 120.9° |
C13 | RU | C16 | C17 | 179.1° | 179.1° |
C13 | RU | C16 | C18 | 143.8° | 143.8° |
C13 | RU | C16 | C19 | 101.2° | 101.2° |
C13 | RU | C16 | C20 | 62.7° | 62.7° |
C13 | RU | C17 | C18 | 64.7° | 64.7° |
C13 | RU | C17 | C19 | 103.6° | 103.6° |
C13 | RU | C17 | C20 | 146.1° | 146.1° |
C13 | RU | C18 | C19 | 77.5° | 77.5° |
C13 | RU | C18 | C20 | 114.2° | 114.2° |
C13 | RU | C19 | C20 | 110.3° | 110.3° |
C13 | RU | C18 | C24 | 46.5° | 46.5° |
C14 | RU | C15 | C16 | 173.0° | 173.0° |
C14 | RU | C15 | C17 | 134.1° | 134.1° |
C14 | RU | C15 | C18 | 93.5° | 93.5° |
C14 | RU | C15 | C19 | 63.6° | 63.6° |
C14 | RU | C15 | C20 | 158.7° | 158.7° |
C14 | RU | C16 | C17 | 57.0° | 57.0° |
C14 | RU | C16 | C18 | 94.0° | 94.0° |
C14 | RU | C16 | C19 | 136.7° | 136.7° |
C14 | RU | C16 | C20 | 175.2° | 175.2° |
C14 | RU | C17 | C18 | 78.5° | 78.5° |
C14 | RU | C17 | C19 | 117.4° | 117.4° |
C14 | RU | C17 | C20 | 159.9° | 159.9° |
C14 | RU | C18 | C19 | 117.8° | 117.8° |
C14 | RU | C18 | C20 | 154.5° | 154.5° |
C14 | RU | C19 | C20 | 154.5° | 154.5° |
C14 | RU | C18 | C24 | 6.3° | 6.3° |
C15 | RU | C16 | C17 | 74.8° | 74.8° |
C15 | RU | C16 | C18 | 111.8° | 111.8° |
C15 | RU | C16 | C19 | 154.5° | 154.5° |
C15 | RU | C16 | C20 | 167.0° | 167.0° |
C15 | RU | C17 | C18 | 115.8° | 115.8° |
C15 | RU | C17 | C19 | 154.6° | 154.6° |
C15 | RU | C17 | C20 | 162.8° | 162.8° |
C15 | RU | C18 | C19 | 160.9° | 160.9° |
C15 | RU | C18 | C20 | 162.4° | 162.4° |
C15 | RU | C19 | C20 | 161.7° | 161.7° |
C15 | RU | C18 | C24 | 36.8° | 36.8° |
C16 | RU | C17 | C18 | 118.0° | 118.0° |
C16 | RU | C17 | C19 | 79.1° | 79.1° |
C16 | RU | C17 | C20 | 36.6° | 36.6° |
C16 | RU | C18 | C19 | 78.1° | 78.1° |
C16 | RU | C18 | C20 | 41.4° | 41.4° |
C16 | RU | C19 | C20 | 37.8° | 37.8° |
C16 | RU | C18 | C24 | 157.8° | 157.8° |
C17 | RU | C18 | C19 | 114.9° | 114.9° |
C17 | RU | C18 | C20 | 78.2° | 78.2° |
C17 | RU | C19 | C20 | 80.0° | 80.0° |
C17 | RU | C18 | C24 | 121.0° | 121.0° |
C18 | RU | C19 | C20 | 118.5° | 118.5° |
RU | C18 | C19 | C24 | 114.8° | 114.8° |
RU | C18 | C24 | C25 | 81.4° | 81.4° |
RU | C18 | C24 | O28 | 98.0° | 98.0° |
C20 | RU | C18 | C24 | 160.8° | 160.8° |
C11 | C12 | C13 | C14 | 1.4° | 1.4° |
C12 | C11 | C15 | C14 | 0.9° | 0.9° |
C15 | C11 | C12 | C13 | 1.4° | 1.4° |
C11 | C15 | C14 | C13 | 0.0° | 0.0° |
C12 | C13 | C14 | C15 | 0.9° | 0.9° |
C16 | C17 | C18 | C19 | 2.5° | 2.5° |
C16 | C17 | C18 | C24 | 177.6° | 177.6° |
C17 | C16 | C20 | C19 | 2.5° | 2.5° |
C20 | C16 | C17 | C18 | 0.0° | 0.0° |
C16 | C20 | C19 | C18 | 4.0° | 4.0° |
C17 | C18 | C19 | C24 | 180.0° | 180.0° |
C17 | C18 | C19 | C20 | 4.0° | 4.0° |
C17 | C18 | C24 | C25 | 8.1° | 8.1° |
C17 | C18 | C24 | O28 | 172.5° | 172.5° |
C19 | C18 | C24 | C25 | 171.9° | 171.9° |
C19 | C18 | C24 | O28 | 7.5° | 7.5° |
C24 | C18 | C19 | C20 | 176.0° | 176.0° |
C18 | C24 | C25 | O28 | 179.4° | 179.4° |
C18 | C24 | C25 | C26 | 177.3° | 177.3° |
C18 | C24 | C25 | H10 | 57.0° | 57.0° |
C18 | C24 | C25 | H11 | 62.3° | 62.3° |
C24 | C25 | C26 | H10 | 120.4° | 120.4° |
C24 | C25 | C26 | H11 | 120.3° | 120.3° |
C24 | C25 | C26 | C27 | 66.4° | 66.4° |
C24 | C25 | H10 | H11 | 118.9° | 118.9° |
C24 | C25 | C26 | H12 | 173.5° | 173.4° |
C24 | C25 | C26 | H13 | 53.8° | 53.8° |
O28 | C24 | C25 | C26 | 3.3° | 3.3° |
O28 | C24 | C25 | H10 | 123.6° | 123.6° |
O28 | C24 | C25 | H11 | 117.1° | 117.1° |
C25 | C26 | C27 | H12 | 120.1° | 120.2° |
C25 | C26 | C27 | H13 | 120.2° | 120.2° |
C25 | C26 | C27 | O29 | 27.7° | 27.7° |
C25 | C26 | C27 | N30 | 151.5° | 151.5° |
C26 | C25 | H10 | H11 | 118.9° | 118.9° |
C25 | C26 | H12 | H13 | 119.6° | 119.6° |
C26 | C27 | O29 | N30 | 179.1° | 179.1° |
C26 | C27 | N30 | C31 | 177.2° | 177.2° |
C27 | C26 | C25 | H10 | 54.0° | 54.0° |
C27 | C26 | C25 | H11 | 173.3° | 173.3° |
C27 | C26 | H12 | H13 | 119.5° | 119.5° |
C26 | C27 | N30 | H14 | 2.8° | 2.8° |
O29 | C27 | N30 | C31 | 3.7° | 3.7° |
O29 | C27 | C26 | H12 | 92.5° | 92.5° |
O29 | C27 | C26 | H13 | 147.8° | 147.8° |
O29 | C27 | N30 | H14 | 176.3° | 176.3° |
C27 | N30 | C31 | H14 | 180.0° | 180.0° |
C27 | N30 | C31 | C32 | 79.8° | 79.8° |
C27 | N30 | C31 | C34 | 157.1° | 157.1° |
N30 | C27 | C26 | H12 | 88.4° | 88.3° |
N30 | C27 | C26 | H13 | 31.3° | 31.3° |
C27 | N30 | C31 | H15 | 40.4° | 40.4° |
N30 | C31 | C32 | C34 | 120.3° | 120.3° |
N30 | C31 | C32 | H15 | 120.8° | 120.8° |
N30 | C31 | C34 | H15 | 117.4° | 117.4° |
N30 | C31 | C32 | O38 | 48.6° | 48.6° |
N30 | C31 | C32 | O67 | 129.1° | 129.1° |
N30 | C31 | C34 | N33 | 176.2° | 176.2° |
N30 | C31 | C34 | S49 | 58.2° | 58.2° |
N30 | C31 | C34 | H18 | 60.6° | 60.6° |
C32 | C31 | C34 | H15 | 119.1° | 119.1° |
C31 | C32 | O38 | O67 | 177.7° | 177.7° |
C32 | C31 | C34 | N33 | 60.2° | 60.2° |
C32 | C31 | C34 | S49 | 178.2° | 178.2° |
C32 | C31 | N30 | H14 | 100.2° | 100.2° |
C32 | C31 | C34 | H18 | 63.0° | 63.0° |
C31 | C32 | O67 | H27 | 177.8° | 177.8° |
C34 | C31 | C32 | O38 | 71.7° | 71.7° |
C34 | C31 | C32 | O67 | 110.6° | 110.6° |
C31 | C34 | N33 | S49 | 123.2° | 123.2° |
C31 | C34 | N33 | H18 | 122.7° | 122.7° |
C31 | C34 | N33 | C51 | 160.0° | 160.0° |
C31 | C34 | S49 | H18 | 120.4° | 120.4° |
C31 | C34 | S49 | C50 | 141.5° | 141.5° |
C34 | C31 | N30 | H14 | 22.9° | 22.9° |
C31 | C34 | N33 | H16 | 79.5° | 79.5° |
O38 | C32 | C31 | H15 | 169.4° | 169.4° |
O38 | C32 | O67 | H27 | 0.0° | 0.0° |
O67 | C32 | C31 | H15 | 8.4° | 8.4° |
C34 | N33 | C51 | H16 | 120.5° | 120.5° |
N33 | C34 | S49 | H18 | 116.8° | 116.8° |
N33 | C34 | S49 | C50 | 18.7° | 18.7° |
C34 | N33 | C51 | C50 | 39.7° | 39.7° |
C34 | N33 | C51 | C63 | 163.9° | 163.9° |
N33 | C34 | C31 | H15 | 58.8° | 58.8° |
C34 | N33 | C51 | H19 | 76.7° | 76.7° |
C51 | N33 | C34 | S49 | 36.8° | 36.8° |
N33 | C51 | C50 | S49 | 22.3° | 22.3° |
N33 | C51 | C50 | C63 | 123.5° | 123.5° |
N33 | C51 | C50 | H19 | 117.2° | 117.2° |
N33 | C51 | C50 | C52 | 140.3° | 140.3° |
N33 | C51 | C50 | C53 | 97.2° | 97.2° |
N33 | C51 | C63 | H19 | 119.7° | 119.7° |
N33 | C51 | C63 | O64 | 156.6° | 156.6° |
N33 | C51 | C63 | O65 | 14.8° | 14.8° |
C51 | N33 | C34 | H18 | 77.3° | 77.3° |
C34 | S49 | C50 | C51 | 1.8° | 1.8° |
C34 | S49 | C50 | C52 | 119.0° | 119.0° |
C34 | S49 | C50 | C53 | 119.0° | 119.0° |
S49 | C34 | C31 | H15 | 59.2° | 59.2° |
S49 | C34 | N33 | H16 | 157.3° | 157.3° |
S49 | C50 | C51 | C52 | 118.0° | 118.0° |
S49 | C50 | C51 | C53 | 119.5° | 119.5° |
S49 | C50 | C52 | C53 | 121.9° | 121.9° |
S49 | C50 | C51 | C63 | 145.8° | 145.8° |
C50 | S49 | C34 | H18 | 98.1° | 98.1° |
S49 | C50 | C51 | H19 | 94.9° | 94.9° |
S49 | C50 | C52 | H20 | 180.0° | 180.0° |
S49 | C50 | C52 | H21 | 60.0° | 60.0° |
S49 | C50 | C52 | H22 | 60.0° | 60.0° |
S49 | C50 | C53 | H23 | 180.0° | 180.0° |
S49 | C50 | C53 | H24 | 60.0° | 60.0° |
S49 | C50 | C53 | H25 | 60.0° | 60.0° |
C51 | C50 | C52 | C53 | 123.5° | 123.5° |
C50 | C51 | C63 | H19 | 118.9° | 118.9° |
C50 | C51 | C63 | O64 | 82.0° | 82.0° |
C50 | C51 | C63 | O65 | 106.7° | 106.7° |
C50 | C51 | N33 | H16 | 160.1° | 160.1° |
C51 | C50 | C52 | H20 | 65.4° | 65.4° |
C51 | C50 | C52 | H21 | 174.6° | 174.6° |
C51 | C50 | C52 | H22 | 54.6° | 54.6° |
C51 | C50 | C53 | H23 | 63.6° | 63.6° |
C51 | C50 | C53 | H24 | 56.4° | 56.4° |
C51 | C50 | C53 | H25 | 176.4° | 176.4° |
C52 | C50 | C51 | C63 | 96.1° | 96.1° |
C52 | C50 | C51 | H19 | 23.1° | 23.1° |
C50 | C52 | H20 | H21 | 120.0° | 120.0° |
C50 | C52 | H20 | H22 | 120.0° | 120.0° |
C50 | C52 | H21 | H22 | 120.0° | 120.0° |
C52 | C50 | C53 | H23 | 58.1° | 58.1° |
C52 | C50 | C53 | H24 | 178.1° | 178.1° |
C52 | C50 | C53 | H25 | 61.9° | 61.9° |
C53 | C50 | C51 | C63 | 26.3° | 26.3° |
C53 | C50 | C51 | H19 | 145.6° | 145.6° |
C53 | C50 | C52 | H20 | 58.1° | 58.1° |
C53 | C50 | C52 | H21 | 61.9° | 61.9° |
C53 | C50 | C52 | H22 | 178.1° | 178.1° |
C50 | C53 | H23 | H24 | 120.0° | 120.0° |
C50 | C53 | H23 | H25 | 120.0° | 120.0° |
C50 | C53 | H24 | H25 | 120.0° | 120.0° |
C51 | C63 | O64 | O65 | 171.2° | 171.2° |
C63 | C51 | N33 | H16 | 75.6° | 75.6° |
C51 | C63 | O65 | H26 | 171.3° | 171.3° |
O64 | C63 | C51 | H19 | 36.9° | 36.9° |
O64 | C63 | O65 | H26 | 0.0° | 0.0° |
O65 | C63 | C51 | H19 | 134.4° | 134.4° |
H10 | C25 | C26 | H12 | 66.2° | 66.2° |
H10 | C25 | C26 | H13 | 174.1° | 174.1° |
H11 | C25 | C26 | H12 | 53.1° | 53.1° |
H11 | C25 | C26 | H13 | 66.6° | 66.6° |
H14 | N30 | C31 | H15 | 139.6° | 139.6° |
H15 | C31 | C34 | H18 | 178.0° | 178.0° |
H16 | N33 | C34 | H18 | 43.2° | 43.2° |
H16 | N33 | C51 | H19 | 43.8° | 43.8° |
H20 | C52 | H21 | H22 | 120.0° | 120.0° |
H23 | C53 | H24 | H25 | 120.0° | 120.0° |