88C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
C36 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
CL39 | C38 | sing | 1.74Å | 1.73Å | |
C38 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | N12 | sing | 1.40Å | 1.44Å | |
C11 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
O07 | S06 | doub | 1.42Å | 1.42Å | |
N12 | C13 | sing | 1.39Å | 1.42Å | |
C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
C09 | S06 | sing | 1.76Å | 1.80Å | |
N14 | C13 | doub | 1.33Å | 1.39Å | Aromatic |
N14 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
C13 | N35 | sing | 1.32Å | 1.40Å | Aromatic |
S06 | O08 | doub | 1.42Å | 1.42Å | |
S06 | N03 | sing | 1.66Å | 1.67Å | |
C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.53Å | 1.54Å | |
N35 | C17 | doub | 1.33Å | 1.35Å | Aromatic |
C04 | N03 | sing | 1.46Å | 1.50Å | |
N03 | C02 | sing | 1.47Å | 1.49Å | |
C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
C17 | C18 | sing | 1.48Å | 1.49Å | |
C02 | C01 | sing | 1.53Å | 1.54Å | |
C19 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
C20 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
C34 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
N21 | C22 | sing | 1.33Å | 1.36Å | Aromatic |
C22 | C23 | sing | 1.48Å | 1.49Å | |
C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
C23 | C33 | sing | 1.39Å | 1.39Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.39Å | 1.41Å | Aromatic |
C32 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
C26 | N27 | sing | 1.40Å | 1.46Å | |
N27 | C28 | sing | 1.35Å | 1.44Å | |
C28 | O29 | doub | 1.22Å | 1.22Å | |
C28 | N30 | sing | 1.35Å | 1.42Å | |
C31 | N30 | sing | 1.46Å | 1.48Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
N12 | H2 | sing | 0.97Å | 1.00Å | |
C15 | H3 | sing | 1.08Å | 1.08Å | |
C20 | H4 | sing | 1.08Å | 1.08Å | |
C24 | H5 | sing | 1.08Å | 1.08Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C01 | H7 | sing | 1.09Å | 1.10Å | |
C01 | H8 | sing | 1.09Å | 1.10Å | |
C02 | H9 | sing | 1.09Å | 1.10Å | |
C02 | H10 | sing | 1.09Å | 1.10Å | |
C04 | H11 | sing | 1.09Å | 1.10Å | |
C04 | H12 | sing | 1.09Å | 1.10Å | |
C05 | H13 | sing | 1.09Å | 1.10Å | |
C05 | H14 | sing | 1.09Å | 1.10Å | |
C05 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C19 | H17 | sing | 1.08Å | 1.08Å | |
C25 | H18 | sing | 1.08Å | 1.08Å | |
C31 | H19 | sing | 1.09Å | 1.10Å | |
C31 | H20 | sing | 1.09Å | 1.10Å | |
C31 | H21 | sing | 1.09Å | 1.10Å | |
C32 | H22 | sing | 1.08Å | 1.08Å | |
C33 | H23 | sing | 1.08Å | 1.08Å | |
C34 | H24 | sing | 1.08Å | 1.08Å | |
C36 | H25 | sing | 1.08Å | 1.08Å | |
C37 | H26 | sing | 1.08Å | 1.08Å | |
N27 | H27 | sing | 0.97Å | 1.00Å | |
N30 | H28 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C36 | C37 | C38 | 120.8° | 120.1° |
C37 | C36 | C11 | 119.3° | 119.9° |
C37 | C36 | H25 | 120.4° | 120.0° |
C36 | C37 | H26 | 119.6° | 119.9° |
C37 | C38 | CL39 | 115.7° | 119.9° |
C37 | C38 | C09 | 124.3° | 120.1° |
C38 | C37 | H26 | 119.6° | 120.0° |
C36 | C11 | N12 | 119.1° | 120.1° |
C36 | C11 | C10 | 116.8° | 119.9° |
C11 | C36 | H25 | 120.3° | 120.0° |
CL39 | C38 | C09 | 120.0° | 119.9° |
C38 | C09 | C10 | 112.8° | 120.1° |
C38 | C09 | S06 | 122.9° | 120.0° |
N12 | C11 | C10 | 124.1° | 120.0° |
C11 | N12 | C13 | 130.0° | 120.0° |
C11 | N12 | H2 | 115.0° | 120.0° |
C11 | C10 | C09 | 126.0° | 119.9° |
C11 | C10 | H1 | 117.0° | 120.1° |
O07 | S06 | C09 | 106.0° | 106.4° |
O07 | S06 | O08 | 115.3° | 123.2° |
O07 | S06 | N03 | 107.3° | 106.4° |
N12 | C13 | N14 | 115.2° | 119.1° |
N12 | C13 | N35 | 120.5° | 119.2° |
C13 | N12 | H2 | 115.0° | 119.9° |
C10 | C09 | S06 | 124.3° | 119.9° |
C09 | C10 | H1 | 117.0° | 120.0° |
C09 | S06 | O08 | 110.5° | 106.4° |
C09 | S06 | N03 | 110.8° | 107.2° |
C13 | N14 | C15 | 114.8° | 120.9° |
N14 | C13 | N35 | 124.3° | 121.7° |
N14 | C15 | C16 | 125.6° | 119.3° |
N14 | C15 | H3 | 117.2° | 120.3° |
C13 | N35 | C17 | 116.3° | 120.6° |
O08 | S06 | N03 | 107.0° | 106.4° |
S06 | N03 | C04 | 122.8° | 120.0° |
S06 | N03 | C02 | 122.4° | 120.0° |
C15 | C16 | C17 | 115.5° | 118.4° |
C16 | C15 | H3 | 117.2° | 120.3° |
C15 | C16 | H16 | 122.2° | 120.8° |
C05 | C04 | N03 | 115.5° | 109.5° |
C05 | C04 | H11 | 107.9° | 109.5° |
C05 | C04 | H12 | 107.9° | 109.5° |
C04 | C05 | H13 | 109.5° | 109.5° |
C04 | C05 | H14 | 109.5° | 109.5° |
C04 | C05 | H15 | 109.5° | 109.5° |
N35 | C17 | C16 | 123.5° | 119.0° |
N35 | C17 | C18 | 120.1° | 120.5° |
C04 | N03 | C02 | 113.1° | 120.0° |
N03 | C04 | H11 | 107.9° | 109.5° |
N03 | C04 | H12 | 107.9° | 109.5° |
N03 | C02 | C01 | 115.9° | 109.5° |
N03 | C02 | H9 | 107.9° | 109.4° |
N03 | C02 | H10 | 107.8° | 109.4° |
C16 | C17 | C18 | 116.4° | 120.5° |
C17 | C16 | H16 | 122.3° | 120.8° |
C17 | C18 | C19 | 119.0° | 120.9° |
C17 | C18 | C34 | 121.3° | 120.8° |
C02 | C01 | H6 | 109.5° | 109.5° |
C02 | C01 | H7 | 109.5° | 109.5° |
C02 | C01 | H8 | 109.5° | 109.4° |
C01 | C02 | H9 | 107.8° | 109.5° |
C01 | C02 | H10 | 107.8° | 109.5° |
C18 | C19 | C20 | 117.4° | 119.3° |
C19 | C18 | C34 | 119.6° | 118.3° |
C18 | C19 | H17 | 121.3° | 120.4° |
C19 | C20 | N21 | 124.8° | 121.0° |
C19 | C20 | H4 | 117.6° | 119.5° |
C20 | C19 | H17 | 121.3° | 120.4° |
C18 | C34 | C22 | 119.2° | 118.9° |
C18 | C34 | H24 | 120.4° | 120.5° |
C20 | N21 | C22 | 117.0° | 121.9° |
N21 | C20 | H4 | 117.6° | 119.5° |
C34 | C22 | N21 | 122.0° | 120.7° |
C34 | C22 | C23 | 123.3° | 119.6° |
C22 | C34 | H24 | 120.4° | 120.6° |
N21 | C22 | C23 | 114.8° | 119.7° |
C22 | C23 | C24 | 123.2° | 120.0° |
C22 | C23 | C33 | 119.9° | 120.1° |
C24 | C23 | C33 | 116.9° | 119.9° |
C23 | C24 | C25 | 121.8° | 119.9° |
C23 | C24 | H5 | 119.1° | 120.0° |
C23 | C33 | C32 | 121.7° | 120.0° |
C23 | C33 | H23 | 119.2° | 120.0° |
C24 | C25 | C26 | 122.2° | 120.1° |
C25 | C24 | H5 | 119.2° | 120.0° |
C24 | C25 | H18 | 118.9° | 120.0° |
C33 | C32 | C26 | 122.6° | 120.1° |
C33 | C32 | H22 | 118.7° | 120.0° |
C32 | C33 | H23 | 119.2° | 120.1° |
C25 | C26 | C32 | 114.9° | 120.1° |
C25 | C26 | N27 | 124.5° | 120.0° |
C26 | C25 | H18 | 118.9° | 119.9° |
C32 | C26 | N27 | 120.6° | 120.0° |
C26 | C32 | H22 | 118.7° | 119.9° |
C26 | N27 | C28 | 127.5° | 120.0° |
C26 | N27 | H27 | 116.2° | 120.0° |
N27 | C28 | O29 | 120.7° | 120.0° |
N27 | C28 | N30 | 120.7° | 120.0° |
C28 | N27 | H27 | 116.3° | 120.1° |
O29 | C28 | N30 | 118.7° | 120.0° |
C28 | N30 | C31 | 121.8° | 120.0° |
C28 | N30 | H28 | 119.1° | 120.0° |
N30 | C31 | H19 | 109.5° | 109.5° |
N30 | C31 | H20 | 109.4° | 109.5° |
N30 | C31 | H21 | 109.5° | 109.5° |
C31 | N30 | H28 | 119.1° | 120.0° |
H6 | C01 | H7 | 109.5° | 109.5° |
H6 | C01 | H8 | 109.5° | 109.5° |
H7 | C01 | H8 | 109.4° | 109.5° |
H9 | C02 | H10 | 109.5° | 109.5° |
H11 | C04 | H12 | 109.5° | 109.4° |
H13 | C05 | H14 | 109.4° | 109.4° |
H13 | C05 | H15 | 109.5° | 109.5° |
H14 | C05 | H15 | 109.5° | 109.4° |
H19 | C31 | H20 | 109.5° | 109.4° |
H19 | C31 | H21 | 109.4° | 109.5° |
H20 | C31 | H21 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C36 | C37 | C38 | H26 | 180.0° | 179.7° |
C37 | C36 | C11 | H25 | 180.0° | 180.0° |
C36 | C37 | C38 | CL39 | 180.0° | 180.0° |
C36 | C37 | C38 | C09 | 0.0° | 0.3° |
C37 | C36 | C11 | N12 | 180.0° | 179.9° |
C37 | C36 | C11 | C10 | 0.1° | 0.0° |
C38 | C37 | C36 | C11 | 0.0° | 0.3° |
C37 | C38 | CL39 | C09 | 179.9° | 179.7° |
C37 | C38 | C09 | C10 | 0.1° | 0.0° |
C37 | C38 | C09 | S06 | 180.0° | 180.0° |
C38 | C37 | C36 | H25 | 180.0° | 179.8° |
C36 | C11 | N12 | C10 | 179.9° | 179.9° |
C36 | C11 | N12 | C13 | 176.2° | 143.4° |
C36 | C11 | C10 | C09 | 0.3° | 0.3° |
C36 | C11 | C10 | H1 | 179.7° | 180.0° |
C36 | C11 | N12 | H2 | 3.8° | 36.7° |
C11 | C36 | C37 | H26 | 180.0° | 179.9° |
CL39 | C38 | C09 | C10 | 179.9° | 179.7° |
CL39 | C38 | C09 | S06 | 0.1° | 0.3° |
CL39 | C38 | C37 | H26 | 0.0° | 0.3° |
C38 | C09 | C10 | C11 | 0.2° | 0.2° |
C38 | C09 | S06 | O07 | 50.2° | 52.3° |
C38 | C09 | C10 | S06 | 179.9° | 180.0° |
C38 | C09 | S06 | O08 | 175.7° | 80.6° |
C38 | C09 | S06 | N03 | 65.9° | 165.8° |
C38 | C09 | C10 | H1 | 179.8° | 180.0° |
C09 | C38 | C37 | H26 | 180.0° | 180.0° |
C11 | N12 | C13 | H2 | 180.0° | 180.0° |
N12 | C11 | C10 | C09 | 179.8° | 179.8° |
C11 | N12 | C13 | N14 | 169.2° | 2.9° |
C11 | N12 | C13 | N35 | 11.3° | 177.4° |
N12 | C11 | C10 | H1 | 0.2° | 0.1° |
N12 | C11 | C36 | H25 | 0.0° | 0.0° |
C10 | C11 | N12 | C13 | 3.7° | 36.6° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C11 | C10 | C09 | S06 | 179.8° | 179.7° |
C10 | C11 | N12 | H2 | 176.3° | 143.4° |
C10 | C11 | C36 | H25 | 179.9° | 180.0° |
O07 | S06 | C09 | C10 | 129.9° | 127.7° |
O07 | S06 | C09 | O08 | 125.5° | 132.9° |
O07 | S06 | C09 | N03 | 116.1° | 113.5° |
O07 | S06 | O08 | N03 | 119.2° | 123.0° |
O07 | S06 | N03 | C04 | 10.3° | 20.8° |
O07 | S06 | N03 | C02 | 174.5° | 159.1° |
N12 | C13 | N14 | N35 | 179.5° | 179.7° |
N12 | C13 | N14 | C15 | 179.8° | 180.0° |
N12 | C13 | N35 | C17 | 180.0° | 180.0° |
C10 | C09 | S06 | O08 | 4.3° | 99.4° |
C10 | C09 | S06 | N03 | 114.0° | 14.2° |
C09 | S06 | O08 | N03 | 120.7° | 114.1° |
C09 | S06 | N03 | C04 | 125.6° | 92.7° |
C09 | S06 | N03 | C02 | 70.1° | 87.3° |
S06 | C09 | C10 | H1 | 0.2° | 0.0° |
C13 | N14 | C15 | C16 | 0.2° | 0.1° |
N14 | C13 | N35 | C17 | 0.6° | 0.3° |
N14 | C13 | N12 | H2 | 10.8° | 177.2° |
C13 | N14 | C15 | H3 | 179.8° | 179.7° |
C15 | N14 | C13 | N35 | 0.3° | 0.3° |
N14 | C15 | C16 | H3 | 180.0° | 179.8° |
N14 | C15 | C16 | C17 | 0.3° | 0.2° |
N14 | C15 | C16 | H16 | 179.7° | 179.7° |
C13 | N35 | C17 | C16 | 0.7° | 0.0° |
C13 | N35 | C17 | C18 | 179.8° | 179.7° |
N35 | C13 | N12 | H2 | 168.7° | 2.5° |
O08 | S06 | N03 | C04 | 113.9° | 153.7° |
O08 | S06 | N03 | C02 | 50.3° | 26.2° |
S06 | N03 | C04 | C05 | 116.6° | 94.3° |
S06 | N03 | C04 | C02 | 165.5° | 179.9° |
S06 | N03 | C02 | C01 | 82.2° | 95.0° |
S06 | N03 | C02 | H9 | 156.9° | 145.0° |
S06 | N03 | C02 | H10 | 38.7° | 25.1° |
S06 | N03 | C04 | H11 | 4.3° | 25.7° |
S06 | N03 | C04 | H12 | 122.5° | 145.7° |
C15 | C16 | C17 | N35 | 0.6° | 0.2° |
C15 | C16 | C17 | H16 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 179.7° | 179.9° |
C05 | C04 | N03 | H11 | 120.9° | 120.0° |
C05 | C04 | N03 | H12 | 120.9° | 120.0° |
C05 | C04 | N03 | C02 | 77.8° | 85.6° |
C05 | C04 | H11 | H12 | 117.3° | 120.0° |
C04 | C05 | H13 | H14 | 120.0° | 120.0° |
C04 | C05 | H13 | H15 | 120.0° | 120.1° |
C04 | C05 | H14 | H15 | 120.0° | 120.0° |
N35 | C17 | C16 | C18 | 179.2° | 179.7° |
N35 | C17 | C18 | C19 | 16.0° | 179.5° |
N35 | C17 | C18 | C34 | 163.1° | 0.3° |
N35 | C17 | C16 | H16 | 179.5° | 179.7° |
C04 | N03 | C02 | C01 | 83.4° | 85.0° |
C04 | N03 | C02 | H9 | 37.5° | 35.0° |
C04 | N03 | C02 | H10 | 155.7° | 155.0° |
N03 | C04 | H11 | H12 | 117.3° | 120.0° |
N03 | C04 | C05 | H13 | 180.0° | 60.0° |
N03 | C04 | C05 | H14 | 60.0° | 60.0° |
N03 | C04 | C05 | H15 | 60.0° | 180.0° |
N03 | C02 | C01 | H9 | 120.9° | 119.9° |
N03 | C02 | C01 | H10 | 120.9° | 120.0° |
N03 | C02 | C01 | H6 | 180.0° | 60.0° |
N03 | C02 | C01 | H7 | 60.0° | 180.0° |
N03 | C02 | C01 | H8 | 60.0° | 60.0° |
N03 | C02 | H9 | H10 | 117.1° | 119.9° |
C02 | N03 | C04 | H11 | 161.3° | 154.3° |
C02 | N03 | C04 | H12 | 43.0° | 34.4° |
C16 | C17 | C18 | C19 | 164.8° | 0.8° |
C16 | C17 | C18 | C34 | 16.2° | 180.0° |
C17 | C16 | C15 | H3 | 179.7° | 180.0° |
C17 | C18 | C19 | C34 | 179.0° | 179.2° |
C17 | C18 | C19 | C20 | 179.7° | 179.7° |
C17 | C18 | C34 | C22 | 179.7° | 180.0° |
C18 | C17 | C16 | H16 | 0.3° | 0.0° |
C17 | C18 | C19 | H17 | 0.3° | 0.3° |
C17 | C18 | C34 | H24 | 0.3° | 0.1° |
C02 | C01 | H6 | H7 | 120.0° | 120.0° |
C02 | C01 | H6 | H8 | 120.0° | 120.0° |
C02 | C01 | H7 | H8 | 120.0° | 119.9° |
C01 | C02 | H9 | H10 | 117.1° | 120.1° |
C18 | C19 | C20 | H17 | 180.0° | 180.0° |
C18 | C19 | C20 | N21 | 0.4° | 0.0° |
C19 | C18 | C34 | C22 | 0.7° | 0.8° |
C18 | C19 | C20 | H4 | 179.5° | 179.7° |
C19 | C18 | C34 | H24 | 179.3° | 179.2° |
C20 | C19 | C18 | C34 | 0.7° | 0.5° |
C19 | C20 | N21 | H4 | 180.0° | 179.6° |
C19 | C20 | N21 | C22 | 0.2° | 0.3° |
C18 | C34 | C22 | H24 | 180.0° | 180.0° |
C18 | C34 | C22 | N21 | 0.4° | 0.5° |
C18 | C34 | C22 | C23 | 179.8° | 179.5° |
C34 | C18 | C19 | H17 | 179.3° | 179.5° |
C20 | N21 | C22 | C34 | 0.2° | 0.0° |
C20 | N21 | C22 | C23 | 180.0° | 180.0° |
N21 | C20 | C19 | H17 | 179.6° | 180.0° |
C34 | C22 | N21 | C23 | 179.8° | 179.9° |
C34 | C22 | C23 | C24 | 15.2° | 180.0° |
C34 | C22 | C23 | C33 | 165.1° | 0.0° |
N21 | C22 | C23 | C24 | 164.7° | 0.0° |
N21 | C22 | C23 | C33 | 15.1° | 180.0° |
C22 | N21 | C20 | H4 | 179.8° | 179.9° |
N21 | C22 | C34 | H24 | 179.5° | 179.5° |
C22 | C23 | C24 | C33 | 179.7° | 180.0° |
C22 | C23 | C24 | C25 | 180.0° | 180.0° |
C22 | C23 | C33 | C32 | 180.0° | 180.0° |
C22 | C23 | C24 | H5 | 0.0° | 0.3° |
C22 | C23 | C33 | H23 | 0.0° | 0.1° |
C23 | C22 | C34 | H24 | 0.3° | 0.5° |
C23 | C24 | C25 | H5 | 180.0° | 179.7° |
C24 | C23 | C33 | C32 | 0.3° | 0.0° |
C23 | C24 | C25 | C26 | 0.3° | 0.3° |
C23 | C24 | C25 | H18 | 179.7° | 179.7° |
C24 | C23 | C33 | H23 | 179.7° | 180.0° |
C33 | C23 | C24 | C25 | 0.2° | 0.0° |
C23 | C33 | C32 | H23 | 180.0° | 180.0° |
C23 | C33 | C32 | C26 | 0.4° | 0.3° |
C33 | C23 | C24 | H5 | 179.8° | 179.7° |
C23 | C33 | C32 | H22 | 179.6° | 179.8° |
C24 | C25 | C26 | H18 | 180.0° | 180.0° |
C24 | C25 | C26 | C32 | 0.4° | 0.6° |
C24 | C25 | C26 | N27 | 179.8° | 180.0° |
C33 | C32 | C26 | C25 | 0.5° | 0.6° |
C33 | C32 | C26 | H22 | 180.0° | 179.9° |
C33 | C32 | C26 | N27 | 179.9° | 180.0° |
C25 | C26 | C32 | N27 | 179.4° | 179.4° |
C25 | C26 | N27 | C28 | 144.3° | 143.8° |
C26 | C25 | C24 | H5 | 179.7° | 180.0° |
C25 | C26 | C32 | H22 | 179.5° | 179.5° |
C25 | C26 | N27 | H27 | 35.7° | 36.2° |
C32 | C26 | N27 | C28 | 36.4° | 36.8° |
C32 | C26 | C25 | H18 | 179.6° | 179.4° |
C26 | C32 | C33 | H23 | 179.6° | 179.7° |
C32 | C26 | N27 | H27 | 143.6° | 143.2° |
C26 | N27 | C28 | H27 | 180.0° | 179.9° |
C26 | N27 | C28 | O29 | 0.2° | 4.5° |
C26 | N27 | C28 | N30 | 179.9° | 175.4° |
N27 | C26 | C25 | H18 | 0.2° | 0.0° |
N27 | C26 | C32 | H22 | 0.1° | 0.1° |
N27 | C28 | O29 | N30 | 179.9° | 179.9° |
N27 | C28 | N30 | C31 | 0.1° | 180.0° |
N27 | C28 | N30 | H28 | 180.0° | 0.1° |
O29 | C28 | N30 | C31 | 179.9° | 0.1° |
O29 | C28 | N27 | H27 | 179.7° | 175.4° |
O29 | C28 | N30 | H28 | 0.1° | 180.0° |
C28 | N30 | C31 | H28 | 180.0° | 179.9° |
C28 | N30 | C31 | H19 | 180.0° | 59.9° |
C28 | N30 | C31 | H20 | 60.0° | 60.1° |
C28 | N30 | C31 | H21 | 60.0° | 180.0° |
N30 | C28 | N27 | H27 | 0.1° | 4.7° |
N30 | C31 | H19 | H20 | 120.0° | 120.0° |
N30 | C31 | H19 | H21 | 120.0° | 120.0° |
N30 | C31 | H20 | H21 | 120.0° | 120.0° |
H3 | C15 | C16 | H16 | 0.2° | 0.1° |
H4 | C20 | C19 | H17 | 0.5° | 0.3° |
H5 | C24 | C25 | H18 | 0.3° | 0.0° |
H6 | C01 | H7 | H8 | 120.0° | 120.1° |
H6 | C01 | C02 | H9 | 59.1° | 180.0° |
H6 | C01 | C02 | H10 | 59.1° | 60.0° |
H7 | C01 | C02 | H9 | 179.1° | 60.0° |
H7 | C01 | C02 | H10 | 60.9° | 60.0° |
H8 | C01 | C02 | H9 | 60.9° | 59.9° |
H8 | C01 | C02 | H10 | 179.1° | 180.0° |
H11 | C04 | C05 | H13 | 59.1° | 60.1° |
H11 | C04 | C05 | H14 | 60.9° | 180.0° |
H11 | C04 | C05 | H15 | 179.1° | 60.0° |
H12 | C04 | C05 | H13 | 59.1° | 180.0° |
H12 | C04 | C05 | H14 | 179.1° | 60.0° |
H12 | C04 | C05 | H15 | 60.9° | 59.9° |
H13 | C05 | H14 | H15 | 120.0° | 120.0° |
H19 | C31 | H20 | H21 | 120.0° | 120.0° |
H19 | C31 | N30 | H28 | 0.0° | 120.0° |
H20 | C31 | N30 | H28 | 120.0° | 120.0° |
H21 | C31 | N30 | H28 | 120.0° | 0.1° |
H22 | C32 | C33 | H23 | 0.4° | 0.3° |
H25 | C36 | C37 | H26 | 0.0° | 0.1° |