T97
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C26 | S25 | sing | 1.81Å | 1.82Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C10 | N09 | sing | 1.47Å | 1.45Å | |
C14 | N09 | sing | 1.47Å | 1.45Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C11 | C13 | sing | 1.53Å | 1.53Å | |
N09 | C08 | sing | 1.47Å | 1.46Å | |
S25 | O27 | doub | 1.42Å | 1.47Å | |
S25 | O28 | doub | 1.42Å | 1.47Å | |
S25 | N24 | sing | 1.66Å | 1.71Å | |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C16 | O17 | sing | 1.43Å | 1.40Å | |
C08 | C07 | sing | 1.53Å | 1.53Å | |
C15 | O29 | sing | 1.43Å | 1.40Å | |
C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
N24 | C21 | sing | 1.40Å | 1.45Å | |
C07 | C05 | sing | 1.51Å | 1.53Å | |
C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
C18 | O17 | sing | 1.36Å | 1.40Å | |
C18 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | CL1 | sing | 1.74Å | 1.78Å | |
C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
C01 | CL2 | sing | 1.74Å | 1.78Å | |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C06 | H3 | sing | 1.08Å | 1.08Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C13 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.09Å | 1.10Å | |
C13 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C19 | H23 | sing | 1.08Å | 1.08Å | |
C20 | H24 | sing | 1.08Å | 1.08Å | |
C22 | H25 | sing | 1.08Å | 1.08Å | |
C23 | H26 | sing | 1.08Å | 1.08Å | |
N24 | H27 | sing | 0.97Å | 1.00Å | |
C26 | H28 | sing | 1.09Å | 1.10Å | |
C26 | H29 | sing | 1.09Å | 1.10Å | |
C26 | H30 | sing | 1.09Å | 1.10Å | |
O29 | H31 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C11 | C10 | 110.9° | 109.5° |
C12 | C11 | C13 | 111.2° | 109.5° |
C12 | C11 | H11 | 107.8° | 109.5° |
C11 | C12 | H12 | 109.5° | 109.5° |
C11 | C12 | H13 | 109.5° | 109.5° |
C11 | C12 | H14 | 109.4° | 109.5° |
C26 | S25 | O27 | 111.3° | 110.5° |
C26 | S25 | O28 | 111.1° | 110.5° |
C26 | S25 | N24 | 110.5° | 104.5° |
S25 | C26 | H28 | 109.5° | 109.5° |
S25 | C26 | H29 | 109.5° | 109.5° |
S25 | C26 | H30 | 109.4° | 109.4° |
C11 | C10 | N09 | 110.5° | 109.5° |
C10 | C11 | C13 | 111.1° | 109.5° |
C11 | C10 | H9 | 109.2° | 109.5° |
C11 | C10 | H10 | 109.2° | 109.5° |
C10 | C11 | H11 | 107.8° | 109.5° |
C10 | N09 | C14 | 109.2° | 111.0° |
C10 | N09 | C08 | 109.2° | 111.0° |
N09 | C10 | H9 | 109.2° | 109.5° |
N09 | C10 | H10 | 109.2° | 109.4° |
N09 | C14 | C15 | 110.0° | 109.5° |
C14 | N09 | C08 | 110.2° | 111.0° |
N09 | C14 | H18 | 109.3° | 109.5° |
N09 | C14 | H19 | 109.3° | 109.5° |
C14 | C15 | C16 | 110.7° | 109.5° |
C14 | C15 | O29 | 109.2° | 109.4° |
C15 | C14 | H18 | 109.3° | 109.4° |
C15 | C14 | H19 | 109.3° | 109.5° |
C14 | C15 | H20 | 108.8° | 109.5° |
C13 | C11 | H11 | 107.8° | 109.4° |
C11 | C13 | H15 | 109.5° | 109.5° |
C11 | C13 | H16 | 109.5° | 109.5° |
C11 | C13 | H17 | 109.5° | 109.4° |
N09 | C08 | C07 | 111.4° | 109.5° |
N09 | C08 | H6 | 109.0° | 109.5° |
N09 | C08 | H7 | 109.0° | 109.5° |
O27 | S25 | O28 | 101.4° | 121.0° |
O27 | S25 | N24 | 110.8° | 104.3° |
O28 | S25 | N24 | 111.4° | 104.3° |
S25 | N24 | C21 | 120.3° | 120.0° |
S25 | N24 | H27 | 106.7° | 120.0° |
C19 | C20 | C21 | 120.0° | 120.0° |
C20 | C19 | C18 | 119.8° | 120.0° |
C20 | C19 | H23 | 120.1° | 120.0° |
C19 | C20 | H24 | 120.0° | 120.0° |
C20 | C21 | N24 | 120.5° | 120.1° |
C20 | C21 | C22 | 120.0° | 120.0° |
C21 | C20 | H24 | 120.0° | 120.0° |
C19 | C18 | O17 | 121.4° | 120.0° |
C19 | C18 | C23 | 120.0° | 120.0° |
C18 | C19 | H23 | 120.1° | 119.9° |
C15 | C16 | O17 | 106.0° | 109.4° |
C16 | C15 | O29 | 108.6° | 109.5° |
C16 | C15 | H20 | 108.8° | 109.5° |
C15 | C16 | H21 | 110.3° | 109.4° |
C15 | C16 | H22 | 110.3° | 109.5° |
C16 | O17 | C18 | 116.7° | 117.0° |
O17 | C16 | H21 | 110.3° | 109.5° |
O17 | C16 | H22 | 110.3° | 109.5° |
C08 | C07 | C05 | 111.6° | 109.5° |
C08 | C07 | H4 | 108.9° | 109.4° |
C08 | C07 | H5 | 108.9° | 109.5° |
C07 | C08 | H6 | 109.0° | 109.4° |
C07 | C08 | H7 | 109.0° | 109.5° |
O29 | C15 | H20 | 110.6° | 109.5° |
C15 | O29 | H31 | 109.5° | 114.0° |
C03 | C04 | C05 | 120.2° | 120.1° |
C04 | C03 | C02 | 119.8° | 120.0° |
C04 | C03 | H1 | 120.1° | 120.0° |
C03 | C04 | H2 | 119.9° | 120.0° |
C04 | C05 | C07 | 119.7° | 120.0° |
C04 | C05 | C06 | 119.9° | 120.0° |
C05 | C04 | H2 | 119.9° | 120.0° |
N24 | C21 | C22 | 119.5° | 120.0° |
C21 | N24 | H27 | 106.7° | 120.0° |
C07 | C05 | C06 | 120.4° | 120.0° |
C05 | C07 | H4 | 108.9° | 109.4° |
C05 | C07 | H5 | 108.9° | 109.5° |
C21 | C22 | C23 | 120.0° | 120.0° |
C21 | C22 | H25 | 120.0° | 120.1° |
C03 | C02 | CL1 | 120.4° | 120.0° |
C03 | C02 | C01 | 120.1° | 119.9° |
C02 | C03 | H1 | 120.1° | 120.0° |
O17 | C18 | C23 | 118.6° | 120.0° |
C18 | C23 | C22 | 120.1° | 120.0° |
C18 | C23 | H26 | 119.9° | 120.0° |
C05 | C06 | C01 | 119.7° | 120.0° |
C05 | C06 | H3 | 120.2° | 120.0° |
CL1 | C02 | C01 | 119.5° | 120.1° |
C02 | C01 | C06 | 120.3° | 120.0° |
C02 | C01 | CL2 | 119.2° | 119.9° |
C06 | C01 | CL2 | 120.5° | 120.1° |
C01 | C06 | H3 | 120.1° | 120.0° |
C23 | C22 | H25 | 120.0° | 120.0° |
C22 | C23 | H26 | 119.9° | 120.0° |
H4 | C07 | H5 | 109.5° | 109.5° |
H6 | C08 | H7 | 109.4° | 109.5° |
H9 | C10 | H10 | 109.4° | 109.5° |
H12 | C12 | H13 | 109.4° | 109.5° |
H12 | C12 | H14 | 109.5° | 109.4° |
H13 | C12 | H14 | 109.5° | 109.5° |
H15 | C13 | H16 | 109.4° | 109.5° |
H15 | C13 | H17 | 109.5° | 109.5° |
H16 | C13 | H17 | 109.5° | 109.5° |
H18 | C14 | H19 | 109.5° | 109.5° |
H21 | C16 | H22 | 109.5° | 109.5° |
H28 | C26 | H29 | 109.4° | 109.5° |
H28 | C26 | H30 | 109.5° | 109.5° |
H29 | C26 | H30 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C11 | C10 | C13 | 124.2° | 120.0° |
C12 | C11 | C10 | H11 | 117.8° | 120.0° |
C12 | C11 | C10 | N09 | 171.5° | 175.7° |
C12 | C11 | C13 | H11 | 117.9° | 120.0° |
C12 | C11 | C10 | H9 | 51.3° | 55.7° |
C12 | C11 | C10 | H10 | 68.3° | 64.3° |
C11 | C12 | H12 | H13 | 120.0° | 120.0° |
C11 | C12 | H12 | H14 | 120.0° | 120.0° |
C11 | C12 | H13 | H14 | 120.0° | 120.0° |
C12 | C11 | C13 | H15 | 180.0° | 180.0° |
C12 | C11 | C13 | H16 | 60.0° | 60.0° |
C12 | C11 | C13 | H17 | 60.0° | 60.0° |
C26 | S25 | O27 | O28 | 118.2° | 131.4° |
C26 | S25 | O27 | N24 | 123.4° | 111.7° |
C26 | S25 | O28 | N24 | 123.7° | 111.7° |
C26 | S25 | N24 | C21 | 49.7° | 63.7° |
C26 | S25 | N24 | H27 | 171.3° | 116.3° |
S25 | C26 | H28 | H29 | 120.0° | 120.0° |
S25 | C26 | H28 | H30 | 120.0° | 120.0° |
S25 | C26 | H29 | H30 | 120.0° | 119.9° |
C11 | C10 | N09 | H9 | 120.2° | 120.0° |
C11 | C10 | N09 | H10 | 120.2° | 120.0° |
C11 | C10 | N09 | C14 | 145.4° | 72.4° |
C10 | C11 | C13 | H11 | 118.0° | 120.0° |
C11 | C10 | N09 | C08 | 94.0° | 163.6° |
C11 | C10 | H9 | H10 | 119.5° | 120.0° |
C10 | C11 | C12 | H12 | 180.0° | 60.0° |
C10 | C11 | C12 | H13 | 60.0° | 180.0° |
C10 | C11 | C12 | H14 | 60.0° | 60.0° |
C10 | C11 | C13 | H15 | 55.9° | 59.9° |
C10 | C11 | C13 | H16 | 64.1° | 180.0° |
C10 | C11 | C13 | H17 | 175.9° | 60.0° |
C10 | N09 | C14 | C08 | 119.9° | 124.0° |
C10 | N09 | C14 | C15 | 148.9° | 160.6° |
N09 | C10 | C11 | C13 | 64.3° | 64.2° |
C10 | N09 | C08 | C07 | 169.8° | 66.1° |
C10 | N09 | C08 | H6 | 69.9° | 174.0° |
C10 | N09 | C08 | H7 | 49.5° | 54.0° |
N09 | C10 | H9 | H10 | 119.5° | 120.0° |
N09 | C10 | C11 | H11 | 53.7° | 55.7° |
C10 | N09 | C14 | H18 | 91.0° | 79.4° |
C10 | N09 | C14 | H19 | 28.8° | 40.6° |
N09 | C14 | C15 | H18 | 120.1° | 120.0° |
N09 | C14 | C15 | H19 | 120.1° | 120.0° |
N09 | C14 | C15 | C16 | 140.5° | 177.2° |
C14 | N09 | C08 | C07 | 49.8° | 169.9° |
N09 | C14 | C15 | O29 | 21.0° | 62.9° |
C14 | N09 | C08 | H6 | 170.1° | 50.0° |
C14 | N09 | C08 | H7 | 70.5° | 70.0° |
C14 | N09 | C10 | H9 | 94.4° | 47.6° |
C14 | N09 | C10 | H10 | 25.2° | 167.6° |
N09 | C14 | H18 | H19 | 119.8° | 120.0° |
N09 | C14 | C15 | H20 | 99.9° | 57.1° |
C15 | C14 | N09 | C08 | 91.1° | 75.4° |
C14 | C15 | C16 | O29 | 119.9° | 120.0° |
C14 | C15 | C16 | H20 | 119.5° | 120.0° |
C14 | C15 | C16 | O17 | 166.2° | 175.0° |
C14 | C15 | O29 | H20 | 119.8° | 120.0° |
C15 | C14 | H18 | H19 | 119.8° | 120.0° |
C14 | C15 | C16 | H21 | 74.4° | 55.0° |
C14 | C15 | C16 | H22 | 46.7° | 65.0° |
C14 | C15 | O29 | H31 | 180.0° | 55.1° |
C13 | C11 | C10 | H9 | 175.6° | 175.7° |
C13 | C11 | C10 | H10 | 55.9° | 55.7° |
C13 | C11 | C12 | H12 | 55.8° | 60.0° |
C13 | C11 | C12 | H13 | 64.2° | 60.0° |
C13 | C11 | C12 | H14 | 175.8° | 180.0° |
C11 | C13 | H15 | H16 | 120.0° | 120.0° |
C11 | C13 | H15 | H17 | 120.0° | 119.9° |
C11 | C13 | H16 | H17 | 120.0° | 119.9° |
N09 | C08 | C07 | H6 | 120.3° | 120.0° |
N09 | C08 | C07 | H7 | 120.3° | 120.0° |
N09 | C08 | C07 | C05 | 170.6° | 180.0° |
N09 | C08 | C07 | H4 | 50.2° | 60.0° |
N09 | C08 | C07 | H5 | 69.1° | 60.0° |
N09 | C08 | H6 | H7 | 119.1° | 120.0° |
C08 | N09 | C10 | H9 | 26.2° | 76.3° |
C08 | N09 | C10 | H10 | 145.8° | 43.6° |
C08 | N09 | C14 | H18 | 28.9° | 44.6° |
C08 | N09 | C14 | H19 | 148.8° | 164.5° |
O27 | S25 | O28 | N24 | 118.0° | 116.8° |
O27 | S25 | N24 | C21 | 173.6° | 179.8° |
O27 | S25 | N24 | H27 | 64.9° | 0.2° |
O27 | S25 | C26 | H28 | 180.0° | 58.4° |
O27 | S25 | C26 | H29 | 60.0° | 178.4° |
O27 | S25 | C26 | H30 | 60.0° | 61.7° |
O28 | S25 | N24 | C21 | 74.3° | 52.3° |
O28 | S25 | N24 | H27 | 47.2° | 127.6° |
O28 | S25 | C26 | H28 | 67.8° | 78.3° |
O28 | S25 | C26 | H29 | 172.2° | 41.7° |
O28 | S25 | C26 | H30 | 52.2° | 161.6° |
S25 | N24 | C21 | C20 | 69.6° | 106.1° |
S25 | N24 | C21 | H27 | 121.5° | 180.0° |
S25 | N24 | C21 | C22 | 110.6° | 73.9° |
N24 | S25 | C26 | H28 | 56.4° | 170.1° |
N24 | S25 | C26 | H29 | 63.6° | 69.9° |
N24 | S25 | C26 | H30 | 176.4° | 50.0° |
C19 | C20 | C21 | H24 | 180.0° | 179.9° |
C20 | C19 | C18 | H23 | 180.0° | 179.9° |
C19 | C20 | C21 | N24 | 179.9° | 180.0° |
C19 | C20 | C21 | C22 | 0.1° | 0.1° |
C20 | C19 | C18 | O17 | 179.9° | 180.0° |
C20 | C19 | C18 | C23 | 0.1° | 0.3° |
C21 | C20 | C19 | C18 | 0.0° | 0.1° |
C20 | C21 | N24 | C22 | 179.9° | 180.0° |
C20 | C21 | C22 | C23 | 0.1° | 0.3° |
C21 | C20 | C19 | H23 | 179.9° | 180.0° |
C20 | C21 | C22 | H25 | 179.9° | 180.0° |
C20 | C21 | N24 | H27 | 168.9° | 74.0° |
C19 | C18 | O17 | C16 | 15.6° | 0.3° |
C19 | C18 | O17 | C23 | 179.8° | 179.7° |
C19 | C18 | C23 | C22 | 0.1° | 0.5° |
C18 | C19 | C20 | H24 | 180.0° | 180.0° |
C19 | C18 | C23 | H26 | 180.0° | 179.7° |
C15 | C16 | O17 | H21 | 119.4° | 120.0° |
C15 | C16 | O17 | H22 | 119.4° | 120.0° |
C16 | C15 | O29 | H20 | 119.4° | 120.1° |
C15 | C16 | O17 | C18 | 167.0° | 180.0° |
C16 | C15 | C14 | H18 | 99.4° | 57.1° |
C16 | C15 | C14 | H19 | 20.4° | 62.8° |
C15 | C16 | H21 | H22 | 121.6° | 120.0° |
C16 | C15 | O29 | H31 | 59.2° | 64.8° |
O17 | C16 | C15 | O29 | 46.3° | 65.0° |
C16 | O17 | C18 | C23 | 164.6° | 180.0° |
O17 | C16 | C15 | H20 | 74.3° | 55.0° |
O17 | C16 | H21 | H22 | 121.6° | 120.0° |
C08 | C07 | C05 | C04 | 23.0° | 90.1° |
C08 | C07 | C05 | H4 | 120.3° | 119.9° |
C08 | C07 | C05 | H5 | 120.3° | 120.1° |
C08 | C07 | C05 | C06 | 156.8° | 89.8° |
C08 | C07 | H4 | H5 | 119.0° | 120.0° |
C07 | C08 | H6 | H7 | 119.1° | 120.0° |
O29 | C15 | C14 | H18 | 141.0° | 177.1° |
O29 | C15 | C14 | H19 | 99.1° | 57.2° |
O29 | C15 | C16 | H21 | 165.7° | 175.0° |
O29 | C15 | C16 | H22 | 73.2° | 55.0° |
C03 | C04 | C05 | H2 | 180.0° | 180.0° |
C03 | C04 | C05 | C07 | 179.9° | 180.0° |
C04 | C03 | C02 | H1 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 0.1° | 0.2° |
C04 | C03 | C02 | CL1 | 179.9° | 180.0° |
C04 | C03 | C02 | C01 | 0.0° | 0.0° |
C04 | C05 | C07 | C06 | 179.8° | 179.8° |
C05 | C04 | C03 | C02 | 0.0° | 0.0° |
C04 | C05 | C06 | C01 | 0.1° | 0.4° |
C05 | C04 | C03 | H1 | 180.0° | 180.0° |
C04 | C05 | C06 | H3 | 179.9° | 180.0° |
C04 | C05 | C07 | H4 | 143.3° | 150.0° |
C04 | C05 | C07 | H5 | 97.3° | 30.0° |
N24 | C21 | C22 | C23 | 179.9° | 179.8° |
N24 | C21 | C20 | H24 | 0.1° | 0.1° |
N24 | C21 | C22 | H25 | 0.0° | 0.0° |
C07 | C05 | C06 | C01 | 179.8° | 179.7° |
C07 | C05 | C04 | H2 | 0.1° | 0.0° |
C07 | C05 | C06 | H3 | 0.2° | 0.1° |
C05 | C07 | H4 | H5 | 119.0° | 120.0° |
C05 | C07 | C08 | H6 | 69.1° | 60.0° |
C05 | C07 | C08 | H7 | 50.3° | 59.9° |
C21 | C22 | C23 | C18 | 0.0° | 0.5° |
C21 | C22 | C23 | H25 | 180.0° | 179.7° |
C22 | C21 | C20 | H24 | 179.9° | 179.9° |
C21 | C22 | C23 | H26 | 180.0° | 179.7° |
C22 | C21 | N24 | H27 | 10.9° | 106.1° |
C03 | C02 | CL1 | C01 | 179.9° | 179.9° |
C03 | C02 | C01 | C06 | 0.0° | 0.2° |
C03 | C02 | C01 | CL2 | 179.9° | 180.0° |
C02 | C03 | C04 | H2 | 180.0° | 180.0° |
O17 | C18 | C23 | C22 | 179.9° | 179.7° |
C18 | O17 | C16 | H21 | 73.6° | 60.0° |
C18 | O17 | C16 | H22 | 47.5° | 60.0° |
O17 | C18 | C19 | H23 | 0.1° | 0.0° |
O17 | C18 | C23 | H26 | 0.1° | 0.0° |
C18 | C23 | C22 | H26 | 180.0° | 179.7° |
C23 | C18 | C19 | H23 | 179.9° | 179.7° |
C18 | C23 | C22 | H25 | 180.0° | 179.7° |
C05 | C06 | C01 | C02 | 0.0° | 0.4° |
C05 | C06 | C01 | H3 | 180.0° | 179.6° |
C05 | C06 | C01 | CL2 | 180.0° | 179.8° |
C06 | C05 | C04 | H2 | 179.9° | 179.8° |
C06 | C05 | C07 | H4 | 36.5° | 30.2° |
C06 | C05 | C07 | H5 | 82.9° | 150.2° |
CL1 | C02 | C01 | C06 | 179.9° | 179.8° |
CL1 | C02 | C01 | CL2 | 0.0° | 0.1° |
CL1 | C02 | C03 | H1 | 0.0° | 0.0° |
C02 | C01 | C06 | CL2 | 180.0° | 179.8° |
C01 | C02 | C03 | H1 | 180.0° | 180.0° |
C02 | C01 | C06 | H3 | 180.0° | 179.9° |
CL2 | C01 | C06 | H3 | 0.0° | 0.2° |
H1 | C03 | C04 | H2 | 0.0° | 0.0° |
H4 | C07 | C08 | H6 | 170.5° | 180.0° |
H4 | C07 | C08 | H7 | 70.1° | 60.0° |
H5 | C07 | C08 | H6 | 51.2° | 60.0° |
H5 | C07 | C08 | H7 | 170.6° | NaN° |
H9 | C10 | C11 | H11 | 66.5° | 64.3° |
H10 | C10 | C11 | H11 | 173.9° | 175.7° |
H11 | C11 | C12 | H12 | 62.2° | 180.0° |
H11 | C11 | C12 | H13 | 177.9° | 60.0° |
H11 | C11 | C12 | H14 | 57.8° | 60.1° |
H11 | C11 | C13 | H15 | 62.1° | 60.0° |
H11 | C11 | C13 | H16 | 177.9° | 60.0° |
H11 | C11 | C13 | H17 | 57.9° | 180.0° |
H12 | C12 | H13 | H14 | 120.0° | 119.9° |
H15 | C13 | H16 | H17 | 120.0° | 120.0° |
H18 | C14 | C15 | H20 | 20.1° | 62.9° |
H19 | C14 | C15 | H20 | 140.0° | 177.2° |
H20 | C15 | C16 | H21 | 45.2° | 65.0° |
H20 | C15 | C16 | H22 | 166.3° | 175.0° |
H20 | C15 | O29 | H31 | 60.2° | 175.1° |
H23 | C19 | C20 | H24 | 0.0° | 0.1° |
H25 | C22 | C23 | H26 | 0.1° | 0.0° |
H28 | C26 | H29 | H30 | 120.0° | 120.0° |