UQO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
C33 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C28 | S27 | sing | 1.76Å | 1.71Å | |
O35 | S27 | doub | 1.42Å | 1.42Å | |
C01 | C02 | sing | 1.53Å | 1.51Å | |
S27 | C02 | sing | 1.81Å | 1.83Å | |
S27 | O34 | doub | 1.42Å | 1.42Å | |
C02 | C03 | sing | 1.53Å | 1.59Å | |
C02 | C26 | sing | 1.53Å | 1.53Å | |
C03 | O04 | sing | 1.45Å | 1.43Å | |
O04 | C05 | sing | 1.35Å | 1.38Å | |
C05 | N06 | sing | 1.35Å | 1.39Å | |
C05 | O25 | doub | 1.22Å | 1.23Å | |
C19 | C20 | sing | 1.54Å | 1.55Å | |
C19 | N18 | sing | 1.47Å | 1.46Å | |
N06 | C07 | sing | 1.47Å | 1.45Å | |
C20 | C16 | sing | 1.55Å | 1.54Å | |
O24 | C12 | doub | 1.21Å | 1.23Å | |
N18 | C17 | sing | 1.34Å | 1.39Å | |
C07 | C12 | sing | 1.51Å | 1.56Å | |
C07 | C08 | sing | 1.53Å | 1.58Å | |
C12 | N13 | sing | 1.35Å | 1.41Å | |
C16 | C17 | sing | 1.51Å | 1.52Å | |
C16 | C15 | sing | 1.53Å | 1.52Å | |
C17 | O21 | doub | 1.21Å | 1.20Å | |
C08 | C09 | sing | 1.53Å | 1.55Å | |
C09 | C10 | sing | 1.53Å | 1.53Å | |
C09 | C11 | sing | 1.53Å | 1.52Å | |
N13 | C14 | sing | 1.46Å | 1.46Å | |
C14 | C15 | sing | 1.53Å | 1.56Å | |
C14 | C22 | sing | 1.53Å | 1.57Å | |
O23 | C22 | sing | 1.43Å | 1.40Å | |
C07 | H1 | sing | 1.09Å | 1.10Å | |
C08 | H2 | sing | 1.09Å | 1.10Å | |
C08 | H3 | sing | 1.09Å | 1.10Å | |
C09 | H4 | sing | 1.09Å | 1.10Å | |
C10 | H5 | sing | 1.09Å | 1.10Å | |
C10 | H6 | sing | 1.09Å | 1.10Å | |
C10 | H7 | sing | 1.09Å | 1.10Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C15 | H9 | sing | 1.09Å | 1.10Å | |
C15 | H10 | sing | 1.09Å | 1.10Å | |
C16 | H11 | sing | 1.09Å | 1.10Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C19 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C20 | H15 | sing | 1.09Å | 1.10Å | |
C22 | H17 | sing | 1.09Å | 1.10Å | |
C26 | H18 | sing | 1.09Å | 1.10Å | |
C26 | H19 | sing | 1.09Å | 1.10Å | |
C26 | H20 | sing | 1.09Å | 1.10Å | |
C30 | H21 | sing | 1.08Å | 1.08Å | |
C01 | H22 | sing | 1.09Å | 1.10Å | |
C01 | H23 | sing | 1.09Å | 1.10Å | |
C01 | H24 | sing | 1.09Å | 1.10Å | |
C03 | H25 | sing | 1.09Å | 1.10Å | |
C03 | H26 | sing | 1.09Å | 1.10Å | |
C11 | H27 | sing | 1.09Å | 1.10Å | |
C11 | H28 | sing | 1.09Å | 1.10Å | |
C11 | H29 | sing | 1.09Å | 1.10Å | |
C29 | H30 | sing | 1.08Å | 1.08Å | |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C32 | H32 | sing | 1.08Å | 1.08Å | |
C33 | H33 | sing | 1.08Å | 1.08Å | |
N06 | H34 | sing | 0.97Å | 1.00Å | |
N13 | H35 | sing | 0.97Å | 1.00Å | |
N18 | H36 | sing | 0.97Å | 1.00Å | |
O23 | H37 | sing | 0.97Å | 0.95Å | |
C22 | S1 | sing | 1.81Å | 19.08Å | |
S1 | O1 | doub | 1.42Å | 0.00Å | |
S1 | O2 | doub | 1.42Å | 0.00Å | |
S1 | O3 | sing | 1.52Å | 0.00Å | |
O3 | H16 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C31 | C32 | C33 | 120.8° | 120.0° |
C32 | C31 | C30 | 117.2° | 120.0° |
C32 | C31 | H31 | 121.4° | 120.0° |
C31 | C32 | H32 | 119.6° | 120.0° |
C32 | C33 | C28 | 124.0° | 120.0° |
C33 | C32 | H32 | 119.6° | 120.0° |
C32 | C33 | H33 | 118.0° | 120.0° |
C31 | C30 | C29 | 120.9° | 120.0° |
C31 | C30 | H21 | 119.6° | 120.0° |
C30 | C31 | H31 | 121.4° | 120.0° |
C33 | C28 | C29 | 113.1° | 120.0° |
C33 | C28 | S27 | 123.3° | 120.0° |
C28 | C33 | H33 | 118.0° | 120.0° |
C30 | C29 | C28 | 124.1° | 120.0° |
C29 | C30 | H21 | 119.6° | 120.0° |
C30 | C29 | H30 | 117.9° | 120.0° |
C29 | C28 | S27 | 123.6° | 120.0° |
C28 | C29 | H30 | 118.0° | 120.0° |
C28 | S27 | O35 | 109.5° | 104.3° |
C28 | S27 | C02 | 103.9° | 104.5° |
C28 | S27 | O34 | 110.3° | 104.3° |
O35 | S27 | C02 | 109.3° | 110.6° |
O35 | S27 | O34 | 117.9° | 121.0° |
C01 | C02 | S27 | 109.1° | 109.5° |
C01 | C02 | C03 | 108.1° | 109.5° |
C01 | C02 | C26 | 109.2° | 109.4° |
C02 | C01 | H22 | 109.5° | 109.4° |
C02 | C01 | H23 | 109.5° | 109.5° |
C02 | C01 | H24 | 109.5° | 109.5° |
C02 | S27 | O34 | 104.9° | 110.5° |
S27 | C02 | C03 | 113.6° | 109.5° |
S27 | C02 | C26 | 107.9° | 109.4° |
C03 | C02 | C26 | 108.9° | 109.5° |
C02 | C03 | O04 | 119.8° | 109.4° |
C02 | C03 | H25 | 106.8° | 109.5° |
C02 | C03 | H26 | 106.8° | 109.4° |
C02 | C26 | H18 | 109.5° | 109.4° |
C02 | C26 | H19 | 109.5° | 109.5° |
C02 | C26 | H20 | 109.5° | 109.4° |
C03 | O04 | C05 | 120.6° | 117.0° |
O04 | C03 | H25 | 106.8° | 109.5° |
O04 | C03 | H26 | 106.8° | 109.5° |
O04 | C05 | N06 | 117.1° | 120.0° |
O04 | C05 | O25 | 120.6° | 120.0° |
N06 | C05 | O25 | 122.4° | 120.0° |
C05 | N06 | C07 | 123.1° | 120.0° |
C05 | N06 | H34 | 118.4° | 120.0° |
C20 | C19 | N18 | 104.5° | 105.5° |
C19 | C20 | C16 | 105.8° | 101.8° |
C20 | C19 | H12 | 110.7° | 110.3° |
C20 | C19 | H13 | 110.7° | 110.3° |
C19 | C20 | H14 | 110.4° | 110.9° |
C19 | C20 | H15 | 110.4° | 111.0° |
C19 | N18 | C17 | 113.7° | 111.3° |
N18 | C19 | H12 | 110.7° | 110.2° |
N18 | C19 | H13 | 110.7° | 110.2° |
C19 | N18 | H36 | 123.2° | 124.4° |
N06 | C07 | C12 | 111.2° | 109.4° |
N06 | C07 | C08 | 110.2° | 109.5° |
N06 | C07 | H1 | 109.5° | 109.5° |
C07 | N06 | H34 | 118.5° | 120.0° |
C20 | C16 | C17 | 105.2° | 104.2° |
C20 | C16 | C15 | 113.5° | 110.5° |
C20 | C16 | H11 | 108.1° | 110.6° |
C16 | C20 | H14 | 110.4° | 111.0° |
C16 | C20 | H15 | 110.4° | 111.0° |
O24 | C12 | C07 | 118.8° | 120.0° |
O24 | C12 | N13 | 119.8° | 120.0° |
N18 | C17 | C16 | 108.8° | 110.1° |
N18 | C17 | O21 | 124.0° | 124.9° |
C17 | N18 | H36 | 123.2° | 124.3° |
C12 | C07 | C08 | 109.9° | 109.5° |
C07 | C12 | N13 | 121.3° | 120.0° |
C12 | C07 | H1 | 108.1° | 109.5° |
C07 | C08 | C09 | 116.2° | 109.5° |
C08 | C07 | H1 | 107.8° | 109.5° |
C07 | C08 | H2 | 107.8° | 109.5° |
C07 | C08 | H3 | 107.8° | 109.5° |
C12 | N13 | C14 | 124.8° | 120.0° |
C12 | N13 | H35 | 117.6° | 120.0° |
C17 | C16 | C15 | 112.8° | 110.5° |
C16 | C17 | O21 | 127.3° | 124.9° |
C17 | C16 | H11 | 108.5° | 110.5° |
C16 | C15 | C14 | 110.5° | 109.4° |
C16 | C15 | H9 | 109.2° | 109.5° |
C16 | C15 | H10 | 109.2° | 109.5° |
C15 | C16 | H11 | 108.4° | 110.5° |
C08 | C09 | C10 | 114.0° | 109.4° |
C08 | C09 | C11 | 113.0° | 109.5° |
C09 | C08 | H2 | 107.7° | 109.5° |
C09 | C08 | H3 | 107.8° | 109.5° |
C08 | C09 | H4 | 107.5° | 109.5° |
C10 | C09 | C11 | 106.5° | 109.5° |
C10 | C09 | H4 | 107.7° | 109.5° |
C09 | C10 | H5 | 109.5° | 109.5° |
C09 | C10 | H6 | 109.5° | 109.5° |
C09 | C10 | H7 | 109.5° | 109.5° |
C11 | C09 | H4 | 107.8° | 109.5° |
C09 | C11 | H27 | 109.5° | 109.4° |
C09 | C11 | H28 | 109.5° | 109.5° |
C09 | C11 | H29 | 109.5° | 109.5° |
N13 | C14 | C15 | 111.8° | 109.5° |
N13 | C14 | C22 | 105.9° | 109.5° |
N13 | C14 | H8 | 110.3° | 109.4° |
C14 | N13 | H35 | 117.6° | 120.0° |
C15 | C14 | C22 | 111.0° | 109.5° |
C15 | C14 | H8 | 108.9° | 109.5° |
C14 | C15 | H9 | 109.2° | 109.4° |
C14 | C15 | H10 | 109.2° | 109.4° |
C14 | C22 | O23 | 104.1° | 109.5° |
C22 | C14 | H8 | 108.8° | 109.5° |
C14 | C22 | H17 | 120.1° | 109.4° |
C14 | C22 | S1 | 68.2° | 109.5° |
O23 | C22 | H17 | 124.1° | 109.5° |
C22 | O23 | H37 | 109.5° | 114.0° |
O23 | C22 | S1 | 137.5° | 109.5° |
H2 | C08 | H3 | 109.5° | 109.4° |
H5 | C10 | H6 | 109.5° | 109.5° |
H5 | C10 | H7 | 109.4° | 109.4° |
H6 | C10 | H7 | 109.5° | 109.5° |
H9 | C15 | H10 | 109.5° | 109.5° |
H12 | C19 | H13 | 109.5° | 110.3° |
H14 | C20 | H15 | 109.4° | 110.9° |
H17 | C22 | S1 | 92.4° | 109.5° |
H18 | C26 | H19 | 109.4° | 109.5° |
H18 | C26 | H20 | 109.5° | 109.5° |
H19 | C26 | H20 | 109.5° | 109.5° |
H22 | C01 | H23 | 109.5° | 109.5° |
H22 | C01 | H24 | 109.4° | 109.4° |
H23 | C01 | H24 | 109.5° | 109.5° |
H25 | C03 | H26 | 109.5° | 109.5° |
H27 | C11 | H28 | 109.5° | 109.5° |
H27 | C11 | H29 | 109.4° | 109.5° |
H28 | C11 | H29 | 109.5° | 109.5° |
C22 | S1 | O1 | 90.0° | 110.5° |
C22 | S1 | O2 | 90.0° | 110.6° |
C22 | S1 | O3 | 90.0° | 104.5° |
O1 | S1 | O2 | 90.0° | 121.0° |
O1 | S1 | O3 | 90.0° | 104.3° |
O2 | S1 | O3 | 90.0° | 104.3° |
S1 | O3 | H16 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C31 | C32 | C33 | H32 | 180.0° | 179.2° |
C32 | C31 | C30 | H31 | 180.0° | 179.5° |
C31 | C32 | C33 | C28 | 0.5° | 0.5° |
C32 | C31 | C30 | C29 | 0.1° | 0.5° |
C32 | C31 | C30 | H21 | 179.9° | 179.5° |
C31 | C32 | C33 | H33 | 179.5° | 179.5° |
C33 | C32 | C31 | C30 | 0.1° | 0.8° |
C32 | C33 | C28 | H33 | 180.0° | 179.9° |
C32 | C33 | C28 | C29 | 0.9° | 0.0° |
C32 | C33 | C28 | S27 | 179.2° | 179.7° |
C33 | C32 | C31 | H31 | 180.0° | 179.7° |
C31 | C30 | C29 | H21 | 180.0° | 180.0° |
C31 | C30 | C29 | C28 | 0.6° | 0.0° |
C31 | C30 | C29 | H30 | 179.4° | 180.0° |
C30 | C31 | C32 | H32 | 179.9° | 180.0° |
C33 | C28 | C29 | C30 | 0.9° | 0.2° |
C33 | C28 | C29 | S27 | 178.3° | 179.8° |
C33 | C28 | S27 | O35 | 25.4° | 25.9° |
C33 | C28 | S27 | C02 | 91.2° | 90.3° |
C33 | C28 | S27 | O34 | 156.8° | 153.7° |
C33 | C28 | C29 | H30 | 179.1° | 179.8° |
C28 | C33 | C32 | H32 | 179.5° | 179.8° |
C30 | C29 | C28 | H30 | 180.0° | 180.0° |
C30 | C29 | C28 | S27 | 179.3° | 180.0° |
C29 | C30 | C31 | H31 | 179.9° | 179.9° |
C29 | C28 | S27 | O35 | 156.4° | 153.9° |
C29 | C28 | S27 | C02 | 87.0° | 90.0° |
C29 | C28 | S27 | O34 | 25.0° | 26.1° |
C28 | C29 | C30 | H21 | 179.4° | 180.0° |
C29 | C28 | C33 | H33 | 179.1° | 180.0° |
C28 | S27 | O35 | C02 | 113.2° | 111.8° |
C28 | S27 | O35 | O34 | 127.2° | 116.7° |
C28 | S27 | C02 | C01 | 63.8° | 60.0° |
C28 | S27 | C02 | O34 | 115.8° | 111.6° |
C28 | S27 | C02 | C03 | 56.9° | 180.0° |
C28 | S27 | C02 | C26 | 177.7° | 60.0° |
S27 | C28 | C29 | H30 | 0.7° | 0.0° |
S27 | C28 | C33 | H33 | 0.7° | 0.2° |
O35 | S27 | C02 | C01 | 53.0° | 171.6° |
O35 | S27 | C02 | O34 | 127.4° | 136.7° |
O35 | S27 | C02 | C03 | 173.7° | 68.3° |
O35 | S27 | C02 | C26 | 65.5° | 51.7° |
C01 | C02 | S27 | C03 | 120.7° | 120.1° |
C01 | C02 | S27 | C26 | 118.5° | 120.0° |
C01 | C02 | S27 | O34 | 179.6° | 51.6° |
C01 | C02 | C03 | C26 | 118.5° | 120.0° |
C01 | C02 | C03 | O04 | 45.4° | 60.0° |
C01 | C02 | C26 | H18 | 180.0° | 60.0° |
C01 | C02 | C26 | H19 | 60.0° | 60.0° |
C01 | C02 | C26 | H20 | 60.0° | 180.0° |
C02 | C01 | H22 | H23 | 120.0° | 120.0° |
C02 | C01 | H22 | H24 | 120.0° | 120.0° |
C02 | C01 | H23 | H24 | 120.0° | 120.0° |
C01 | C02 | C03 | H25 | 76.0° | 180.0° |
C01 | C02 | C03 | H26 | 166.9° | 60.1° |
S27 | C02 | C03 | C26 | 120.2° | 120.0° |
S27 | C02 | C03 | O04 | 166.7° | 180.0° |
S27 | C02 | C26 | H18 | 61.5° | 180.0° |
S27 | C02 | C26 | H19 | 58.5° | 60.0° |
S27 | C02 | C26 | H20 | 178.4° | 60.0° |
S27 | C02 | C01 | H22 | 180.0° | 60.0° |
S27 | C02 | C01 | H23 | 60.0° | 59.9° |
S27 | C02 | C01 | H24 | 60.0° | 180.0° |
S27 | C02 | C03 | H25 | 45.3° | 60.0° |
S27 | C02 | C03 | H26 | 71.8° | 60.0° |
O34 | S27 | C02 | C03 | 58.9° | 68.4° |
O34 | S27 | C02 | C26 | 61.9° | 171.6° |
C02 | C03 | O04 | H25 | 121.5° | 120.0° |
C02 | C03 | O04 | H26 | 121.5° | 119.9° |
C02 | C03 | O04 | C05 | 133.5° | 180.0° |
C03 | C02 | C26 | H18 | 62.2° | 60.0° |
C03 | C02 | C26 | H19 | 177.8° | 180.0° |
C03 | C02 | C26 | H20 | 57.9° | 60.0° |
C03 | C02 | C01 | H22 | 56.0° | 60.0° |
C03 | C02 | C01 | H23 | 176.0° | 180.0° |
C03 | C02 | C01 | H24 | 64.0° | 59.9° |
C02 | C03 | H25 | H26 | 115.3° | 119.9° |
C26 | C02 | C03 | O04 | 73.1° | 60.0° |
C02 | C26 | H18 | H19 | 120.0° | 120.0° |
C02 | C26 | H18 | H20 | 120.0° | 119.9° |
C02 | C26 | H19 | H20 | 120.0° | 120.0° |
C26 | C02 | C01 | H22 | 62.4° | 180.0° |
C26 | C02 | C01 | H23 | 57.6° | 60.0° |
C26 | C02 | C01 | H24 | 177.7° | 60.0° |
C26 | C02 | C03 | H25 | 165.5° | 60.0° |
C26 | C02 | C03 | H26 | 48.4° | 180.0° |
C03 | O04 | C05 | N06 | 156.0° | 180.0° |
C03 | O04 | C05 | O25 | 23.3° | 0.0° |
O04 | C03 | H25 | H26 | 115.3° | 120.1° |
O04 | C05 | N06 | O25 | 179.3° | 180.0° |
O04 | C05 | N06 | C07 | 166.8° | 175.4° |
C05 | O04 | C03 | H25 | 105.0° | 60.0° |
C05 | O04 | C03 | H26 | 12.0° | 60.0° |
O04 | C05 | N06 | H34 | 13.2° | 4.6° |
C05 | N06 | C07 | H34 | 180.0° | 180.0° |
C05 | N06 | C07 | C12 | 87.8° | 153.2° |
C05 | N06 | C07 | C08 | 150.0° | 86.9° |
C05 | N06 | C07 | H1 | 31.6° | 33.1° |
O25 | C05 | N06 | C07 | 12.5° | 4.6° |
O25 | C05 | N06 | H34 | 167.5° | 175.4° |
C20 | C19 | N18 | H12 | 119.2° | 119.1° |
C20 | C19 | N18 | H13 | 119.2° | 119.0° |
C19 | C20 | C16 | H14 | 119.4° | 118.1° |
C19 | C20 | C16 | H15 | 119.4° | 118.2° |
C20 | C19 | N18 | C17 | 9.3° | 17.0° |
C19 | C20 | C16 | C17 | 13.7° | 24.8° |
C19 | C20 | C16 | C15 | 137.5° | 93.9° |
C19 | C20 | C16 | H11 | 102.1° | 143.5° |
C20 | C19 | H12 | H13 | 122.3° | 122.0° |
C19 | C20 | H14 | H15 | 121.7° | 123.8° |
C20 | C19 | N18 | H36 | 170.7° | 163.0° |
N18 | C19 | C20 | C16 | 13.9° | 25.4° |
C19 | N18 | C17 | H36 | 180.0° | 180.0° |
C19 | N18 | C17 | C16 | 0.6° | 0.4° |
C19 | N18 | C17 | O21 | 180.0° | 179.6° |
N18 | C19 | H12 | H13 | 122.3° | 121.9° |
N18 | C19 | C20 | H14 | 133.3° | 143.5° |
N18 | C19 | C20 | H15 | 105.5° | 92.7° |
N06 | C07 | C12 | O24 | 40.7° | 15.5° |
N06 | C07 | C12 | C08 | 122.4° | 120.0° |
N06 | C07 | C12 | H1 | 120.3° | 120.0° |
N06 | C07 | C08 | H1 | 119.5° | 120.0° |
N06 | C07 | C12 | N13 | 139.0° | 164.5° |
N06 | C07 | C08 | C09 | 60.4° | 170.3° |
N06 | C07 | C08 | H2 | 60.5° | 50.3° |
N06 | C07 | C08 | H3 | 178.6° | 69.7° |
C20 | C16 | C17 | N18 | 8.5° | 16.3° |
C20 | C16 | C17 | C15 | 124.3° | 118.7° |
C20 | C16 | C17 | H11 | 115.5° | 118.8° |
C20 | C16 | C15 | H11 | 120.2° | 122.7° |
C20 | C16 | C17 | O21 | 170.9° | 163.7° |
C20 | C16 | C15 | C14 | 66.9° | 178.8° |
C20 | C16 | C15 | H9 | 53.2° | 61.3° |
C20 | C16 | C15 | H10 | 172.9° | 58.8° |
C16 | C20 | C19 | H12 | 133.1° | 93.6° |
C16 | C20 | C19 | H13 | 105.3° | 144.4° |
C16 | C20 | H14 | H15 | 121.7° | 123.8° |
O24 | C12 | C07 | N13 | 179.7° | 179.9° |
O24 | C12 | C07 | C08 | 81.7° | 104.5° |
O24 | C12 | N13 | C14 | 0.8° | 6.0° |
O24 | C12 | C07 | H1 | 160.9° | 135.5° |
O24 | C12 | N13 | H35 | 179.2° | 174.0° |
N18 | C17 | C16 | O21 | 179.4° | 180.0° |
N18 | C17 | C16 | C15 | 132.8° | 102.4° |
N18 | C17 | C16 | H11 | 107.0° | 135.1° |
C17 | N18 | C19 | H12 | 128.5° | 102.0° |
C17 | N18 | C19 | H13 | 109.9° | 136.0° |
C12 | C07 | C08 | H1 | 117.6° | 120.0° |
C12 | C07 | C08 | C09 | 176.6° | 69.8° |
C07 | C12 | N13 | C14 | 179.5° | 173.9° |
C12 | C07 | C08 | H2 | 62.4° | 170.2° |
C12 | C07 | C08 | H3 | 55.6° | 50.2° |
C12 | C07 | N06 | H34 | 92.2° | 26.9° |
C07 | C12 | N13 | H35 | 0.5° | 6.0° |
C08 | C07 | C12 | N13 | 98.6° | 75.6° |
C07 | C08 | C09 | H2 | 121.0° | 120.0° |
C07 | C08 | C09 | H3 | 121.0° | 120.0° |
C07 | C08 | C09 | C10 | 173.9° | 66.1° |
C07 | C08 | C09 | C11 | 52.1° | 173.9° |
C07 | C08 | H2 | H3 | 117.0° | 120.0° |
C07 | C08 | C09 | H4 | 66.7° | 53.8° |
C08 | C07 | N06 | H34 | 30.0° | 93.1° |
C12 | N13 | C14 | H35 | 180.0° | 180.0° |
C12 | N13 | C14 | C15 | 121.7° | 155.0° |
C12 | N13 | C14 | C22 | 117.3° | 85.0° |
N13 | C12 | C07 | H1 | 18.8° | 44.4° |
C12 | N13 | C14 | H8 | 0.4° | 35.0° |
C17 | C16 | C15 | H11 | 120.2° | 122.5° |
C17 | C16 | C15 | C14 | 173.5° | 66.5° |
C17 | C16 | C15 | H9 | 66.3° | 53.5° |
C17 | C16 | C15 | H10 | 53.4° | 173.6° |
C17 | C16 | C20 | H14 | 133.2° | 142.9° |
C17 | C16 | C20 | H15 | 105.7° | 93.3° |
C16 | C17 | N18 | H36 | 179.4° | 179.6° |
C15 | C16 | C17 | O21 | 46.6° | 77.6° |
C16 | C15 | C14 | N13 | 65.8° | 65.0° |
C16 | C15 | C14 | H9 | 120.1° | 120.0° |
C16 | C15 | C14 | H10 | 120.2° | 120.0° |
C16 | C15 | C14 | C22 | 176.2° | 175.0° |
C16 | C15 | C14 | H8 | 56.4° | 55.0° |
C16 | C15 | H9 | H10 | 119.5° | 120.1° |
C15 | C16 | C20 | H14 | 103.0° | 24.2° |
C15 | C16 | C20 | H15 | 18.1° | 148.0° |
O21 | C17 | C16 | H11 | 73.6° | 44.9° |
O21 | C17 | N18 | H36 | 0.0° | 0.3° |
C08 | C09 | C10 | C11 | 125.3° | 120.0° |
C08 | C09 | C10 | H4 | 119.2° | 120.0° |
C08 | C09 | C11 | H4 | 118.7° | 120.0° |
C09 | C08 | C07 | H1 | 59.0° | 50.3° |
C09 | C08 | H2 | H3 | 116.9° | 120.0° |
C08 | C09 | C10 | H5 | 180.0° | 58.6° |
C08 | C09 | C10 | H6 | 60.0° | 61.5° |
C08 | C09 | C10 | H7 | 60.0° | 178.5° |
C08 | C09 | C11 | H27 | 180.0° | 60.0° |
C08 | C09 | C11 | H28 | 60.0° | 180.0° |
C08 | C09 | C11 | H29 | 60.0° | 60.0° |
C10 | C09 | C11 | H4 | 115.4° | 120.0° |
C10 | C09 | C08 | H2 | 65.1° | 53.9° |
C10 | C09 | C08 | H3 | 52.9° | 173.8° |
C09 | C10 | H5 | H6 | 120.0° | 120.1° |
C09 | C10 | H5 | H7 | 120.0° | 120.0° |
C09 | C10 | H6 | H7 | 120.0° | 120.0° |
C10 | C09 | C11 | H27 | 54.1° | 180.0° |
C10 | C09 | C11 | H28 | 65.9° | 60.0° |
C10 | C09 | C11 | H29 | 174.1° | 60.0° |
C11 | C09 | C08 | H2 | 173.1° | 66.1° |
C11 | C09 | C08 | H3 | 68.8° | 53.8° |
C11 | C09 | C10 | H5 | 54.7° | 178.6° |
C11 | C09 | C10 | H6 | 174.7° | 58.5° |
C11 | C09 | C10 | H7 | 65.3° | 61.5° |
C09 | C11 | H27 | H28 | 120.0° | 120.0° |
C09 | C11 | H27 | H29 | 120.0° | 120.0° |
C09 | C11 | H28 | H29 | 120.0° | 120.0° |
N13 | C14 | C15 | C22 | 118.0° | 120.0° |
N13 | C14 | C15 | H8 | 122.1° | 120.0° |
N13 | C14 | C22 | H8 | 118.6° | 120.0° |
N13 | C14 | C22 | O23 | 54.1° | 175.0° |
N13 | C14 | C15 | H9 | 174.1° | 55.0° |
N13 | C14 | C15 | H10 | 54.4° | 175.0° |
N13 | C14 | C22 | H17 | 90.3° | 65.0° |
N13 | C14 | C22 | S1 | 170.0° | 55.0° |
C15 | C14 | C22 | H8 | 119.8° | 120.0° |
C15 | C14 | C22 | O23 | 175.7° | 55.0° |
C14 | C15 | H9 | H10 | 119.5° | 120.0° |
C14 | C15 | C16 | H11 | 53.3° | 56.1° |
C15 | C14 | C22 | H17 | 31.2° | 175.0° |
C15 | C14 | N13 | H35 | 58.3° | 25.0° |
C15 | C14 | C22 | S1 | 48.4° | 65.0° |
C14 | C22 | O23 | H17 | 142.6° | 119.9° |
C14 | C22 | O23 | S1 | 73.0° | 120.0° |
C22 | C14 | C15 | H9 | 56.0° | 65.0° |
C22 | C14 | C15 | H10 | 63.6° | 55.0° |
C14 | C22 | H17 | S1 | 66.1° | 120.0° |
C22 | C14 | N13 | H35 | 62.7° | 95.0° |
C14 | C22 | O23 | H37 | 180.0° | 60.0° |
C14 | C22 | S1 | O1 | 90.0° | 63.4° |
C14 | C22 | S1 | O2 | 90.0° | 73.3° |
C14 | C22 | S1 | O3 | 90.0° | 175.0° |
O23 | C22 | C14 | H8 | 64.5° | 65.0° |
O23 | C22 | H17 | S1 | 156.8° | 120.0° |
O23 | C22 | S1 | O1 | 90.0° | 56.7° |
O23 | C22 | S1 | O2 | 90.0° | 166.6° |
O23 | C22 | S1 | O3 | 90.0° | 55.0° |
H1 | C07 | C08 | H2 | 180.0° | 69.8° |
H1 | C07 | C08 | H3 | 61.9° | 170.3° |
H1 | C07 | N06 | H34 | 148.4° | 146.9° |
H2 | C08 | C09 | H4 | 54.2° | 173.9° |
H3 | C08 | C09 | H4 | 172.3° | 66.2° |
H4 | C09 | C10 | H5 | 60.8° | 61.4° |
H4 | C09 | C10 | H6 | 59.2° | 178.6° |
H4 | C09 | C10 | H7 | 179.3° | 58.6° |
H4 | C09 | C11 | H27 | 61.3° | 60.0° |
H4 | C09 | C11 | H28 | 178.7° | 60.0° |
H4 | C09 | C11 | H29 | 58.7° | 180.0° |
H5 | C10 | H6 | H7 | 120.0° | 119.9° |
H8 | C14 | C15 | H9 | 63.8° | 175.0° |
H8 | C14 | C15 | H10 | 176.6° | 65.0° |
H8 | C14 | C22 | H17 | 151.1° | 54.9° |
H8 | C14 | N13 | H35 | 179.6° | 145.0° |
H8 | C14 | C22 | S1 | 71.4° | 175.0° |
H9 | C15 | C16 | H11 | 173.5° | 176.0° |
H10 | C15 | C16 | H11 | 66.9° | 63.9° |
H11 | C16 | C20 | H14 | 17.4° | 98.4° |
H11 | C16 | C20 | H15 | 138.5° | 25.3° |
H12 | C19 | C20 | H14 | 107.5° | 24.5° |
H12 | C19 | C20 | H15 | 13.7° | 148.2° |
H12 | C19 | N18 | H36 | 51.5° | 78.0° |
H13 | C19 | C20 | H14 | 14.1° | 97.5° |
H13 | C19 | C20 | H15 | 135.3° | 26.2° |
H13 | C19 | N18 | H36 | 70.1° | 44.0° |
H17 | C22 | O23 | H37 | 37.4° | 179.9° |
H17 | C22 | S1 | O1 | 90.0° | 176.7° |
H17 | C22 | S1 | O2 | 90.0° | 46.6° |
H17 | C22 | S1 | O3 | 90.0° | 65.0° |
H18 | C26 | H19 | H20 | 120.0° | 120.0° |
H21 | C30 | C29 | H30 | 0.5° | 0.0° |
H21 | C30 | C31 | H31 | 0.1° | 0.1° |
H22 | C01 | H23 | H24 | 120.0° | 120.0° |
H27 | C11 | H28 | H29 | 120.0° | 120.0° |
H31 | C31 | C32 | H32 | 0.0° | 0.5° |
H32 | C32 | C33 | H33 | 0.5° | 0.3° |
H37 | O23 | C22 | S1 | 107.0° | 60.0° |
C22 | S1 | O1 | O2 | 90.0° | 131.5° |
C22 | S1 | O1 | O3 | 90.0° | 111.8° |
C22 | S1 | O2 | O3 | 90.0° | 111.8° |
C22 | S1 | O3 | H16 | 90.0° | 180.0° |
O1 | S1 | O2 | O3 | 90.0° | 116.7° |
O1 | S1 | O3 | H16 | 90.0° | 63.9° |
O2 | S1 | O3 | H16 | 90.0° | 63.9° |