YMD
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C26 | sing | 1.53Å | 1.52Å | |
C29 | C26 | sing | 1.53Å | 1.52Å | |
C29 | C30 | sing | 1.53Å | 1.52Å | |
O18 | C14 | doub | 1.21Å | 1.17Å | |
C26 | C25 | sing | 1.53Å | 1.53Å | |
C26 | C28 | sing | 1.53Å | 1.53Å | |
C30 | C23 | sing | 1.53Å | 1.53Å | |
C25 | C24 | sing | 1.53Å | 1.52Å | |
C14 | N15 | sing | 1.34Å | 1.34Å | |
C14 | C13 | sing | 1.51Å | 1.60Å | |
C23 | C24 | sing | 1.53Å | 1.53Å | |
C23 | O22 | sing | 1.45Å | 1.39Å | |
N15 | C16 | sing | 1.47Å | 1.58Å | |
O01 | C02 | doub | 1.22Å | 1.18Å | |
O22 | C02 | sing | 1.35Å | 1.39Å | |
C02 | N03 | sing | 1.35Å | 1.44Å | |
C13 | C12 | sing | 1.53Å | 1.46Å | |
C13 | C17 | sing | 1.55Å | 1.51Å | |
C16 | C17 | sing | 1.55Å | 1.38Å | |
C07 | C06 | sing | 1.53Å | 1.52Å | |
C12 | C11 | sing | 1.53Å | 1.55Å | |
N03 | C04 | sing | 1.47Å | 1.44Å | |
N10 | C11 | sing | 1.46Å | 1.45Å | |
N10 | C09 | sing | 1.35Å | 1.44Å | |
C04 | C09 | sing | 1.51Å | 1.52Å | |
C04 | C05 | sing | 1.53Å | 1.52Å | |
C11 | C19 | sing | 1.53Å | 1.53Å | |
C06 | C05 | sing | 1.53Å | 1.52Å | |
C06 | C08 | sing | 1.53Å | 1.53Å | |
C09 | O21 | doub | 1.21Å | 1.18Å | |
C19 | O20 | sing | 1.43Å | 1.40Å | |
C04 | H1 | sing | 1.09Å | 1.10Å | |
C05 | H2 | sing | 1.09Å | 1.10Å | |
C05 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C07 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | 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 | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H15 | sing | 1.09Å | 1.10Å | |
C16 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H18 | sing | 1.09Å | 1.10Å | |
C19 | S1 | sing | 1.81Å | 1.07Å | |
C19 | H20 | sing | 1.09Å | 1.10Å | |
C23 | H21 | sing | 1.09Å | 1.10Å | |
C24 | H22 | sing | 1.09Å | 1.10Å | |
C24 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
C27 | H26 | sing | 1.09Å | 1.10Å | |
C27 | H27 | sing | 1.09Å | 1.10Å | |
C27 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H29 | sing | 1.09Å | 1.10Å | |
C28 | H30 | sing | 1.09Å | 1.10Å | |
C28 | H31 | sing | 1.09Å | 1.10Å | |
C29 | H32 | sing | 1.09Å | 1.10Å | |
C29 | H33 | sing | 1.09Å | 1.10Å | |
C30 | H34 | sing | 1.09Å | 1.10Å | |
C30 | H35 | sing | 1.09Å | 1.10Å | |
N03 | H36 | sing | 0.97Å | 1.00Å | |
N10 | H37 | sing | 0.97Å | 1.00Å | |
N15 | H38 | sing | 0.97Å | 1.00Å | |
O20 | H39 | sing | 0.97Å | 0.95Å | |
S1 | O1 | doub | 1.42Å | 34.06Å | |
S1 | O2 | doub | 1.42Å | 34.06Å | |
S1 | O3 | sing | 1.52Å | 34.06Å | |
O3 | H19 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C27 | C26 | C29 | 108.8° | 109.5° |
C27 | C26 | C25 | 108.1° | 109.5° |
C27 | C26 | C28 | 107.9° | 109.5° |
C26 | C27 | H26 | 109.5° | 109.5° |
C26 | C27 | H27 | 109.5° | 109.5° |
C26 | C27 | H28 | 109.5° | 109.5° |
C26 | C29 | C30 | 112.5° | 109.5° |
C29 | C26 | C25 | 112.2° | 109.5° |
C29 | C26 | C28 | 109.8° | 109.5° |
C26 | C29 | H32 | 108.7° | 109.5° |
C26 | C29 | H33 | 108.7° | 109.4° |
C29 | C30 | C23 | 112.9° | 109.4° |
C30 | C29 | H32 | 108.7° | 109.5° |
C30 | C29 | H33 | 108.7° | 109.5° |
C29 | C30 | H34 | 108.6° | 109.5° |
C29 | C30 | H35 | 108.6° | 109.5° |
O18 | C14 | N15 | 125.7° | 124.9° |
O18 | C14 | C13 | 126.8° | 124.9° |
C25 | C26 | C28 | 109.9° | 109.4° |
C26 | C25 | C24 | 112.3° | 109.5° |
C26 | C25 | H24 | 108.7° | 109.4° |
C26 | C25 | H25 | 108.7° | 109.5° |
C26 | C28 | H29 | 109.5° | 109.5° |
C26 | C28 | H30 | 109.5° | 109.5° |
C26 | C28 | H31 | 109.5° | 109.4° |
C30 | C23 | C24 | 111.7° | 109.5° |
C30 | C23 | O22 | 107.0° | 109.4° |
C30 | C23 | H21 | 109.0° | 109.5° |
C23 | C30 | H34 | 108.6° | 109.4° |
C23 | C30 | H35 | 108.6° | 109.5° |
C25 | C24 | C23 | 111.9° | 109.5° |
C25 | C24 | H22 | 108.9° | 109.5° |
C25 | C24 | H23 | 108.8° | 109.4° |
C24 | C25 | H24 | 108.8° | 109.4° |
C24 | C25 | H25 | 108.7° | 109.5° |
N15 | C14 | C13 | 107.5° | 110.2° |
C14 | N15 | C16 | 108.5° | 111.3° |
C14 | N15 | H38 | 125.7° | 124.4° |
C14 | C13 | C12 | 110.3° | 110.5° |
C14 | C13 | C17 | 104.4° | 104.2° |
C14 | C13 | H14 | 109.9° | 110.6° |
C24 | C23 | O22 | 109.2° | 109.4° |
C24 | C23 | H21 | 109.0° | 109.5° |
C23 | C24 | H22 | 108.8° | 109.5° |
C23 | C24 | H23 | 108.9° | 109.5° |
C23 | O22 | C02 | 115.6° | 117.0° |
O22 | C23 | H21 | 110.9° | 109.5° |
N15 | C16 | C17 | 108.4° | 105.5° |
N15 | C16 | H15 | 109.7° | 110.3° |
N15 | C16 | H16 | 109.7° | 110.3° |
C16 | N15 | H38 | 125.8° | 124.3° |
O01 | C02 | O22 | 121.4° | 120.0° |
O01 | C02 | N03 | 121.7° | 120.0° |
O22 | C02 | N03 | 116.9° | 120.0° |
C02 | N03 | C04 | 122.2° | 120.0° |
C02 | N03 | H36 | 118.9° | 120.0° |
C12 | C13 | C17 | 108.8° | 110.5° |
C13 | C12 | C11 | 115.8° | 109.4° |
C13 | C12 | H12 | 107.9° | 109.5° |
C13 | C12 | H13 | 107.9° | 109.6° |
C12 | C13 | H14 | 112.0° | 110.4° |
C13 | C17 | C16 | 107.2° | 101.8° |
C17 | C13 | H14 | 111.1° | 110.5° |
C13 | C17 | H17 | 110.0° | 111.0° |
C13 | C17 | H18 | 110.1° | 111.0° |
C17 | C16 | H15 | 109.7° | 110.3° |
C17 | C16 | H16 | 109.7° | 110.2° |
C16 | C17 | H17 | 110.0° | 110.9° |
C16 | C17 | H18 | 110.0° | 110.9° |
C07 | C06 | C05 | 110.7° | 109.5° |
C07 | C06 | C08 | 111.3° | 109.5° |
C07 | C06 | H4 | 107.8° | 109.5° |
C06 | C07 | H5 | 109.5° | 109.5° |
C06 | C07 | H6 | 109.5° | 109.4° |
C06 | C07 | H7 | 109.5° | 109.5° |
C12 | C11 | N10 | 111.4° | 109.5° |
C12 | C11 | C19 | 112.5° | 109.4° |
C12 | C11 | H11 | 106.6° | 109.4° |
C11 | C12 | H12 | 107.9° | 109.4° |
C11 | C12 | H13 | 107.9° | 109.4° |
N03 | C04 | C09 | 109.5° | 109.5° |
N03 | C04 | C05 | 109.1° | 109.5° |
N03 | C04 | H1 | 110.4° | 109.5° |
C04 | N03 | H36 | 118.9° | 120.0° |
C11 | N10 | C09 | 120.2° | 120.0° |
N10 | C11 | C19 | 111.2° | 109.5° |
N10 | C11 | H11 | 107.8° | 109.5° |
C11 | N10 | H37 | 119.9° | 120.0° |
N10 | C09 | C04 | 117.9° | 120.0° |
N10 | C09 | O21 | 120.9° | 120.0° |
C09 | N10 | H37 | 119.9° | 120.0° |
C09 | C04 | C05 | 109.1° | 109.5° |
C04 | C09 | O21 | 121.2° | 120.0° |
C09 | C04 | H1 | 109.3° | 109.5° |
C04 | C05 | C06 | 111.4° | 109.5° |
C05 | C04 | H1 | 109.3° | 109.5° |
C04 | C05 | H2 | 109.0° | 109.5° |
C04 | C05 | H3 | 109.0° | 109.5° |
C11 | C19 | O20 | 106.7° | 109.5° |
C19 | C11 | H11 | 106.9° | 109.5° |
C11 | C19 | S1 | 110.8° | 109.4° |
C11 | C19 | H20 | 106.5° | 109.5° |
C05 | C06 | C08 | 111.1° | 109.4° |
C06 | C05 | H2 | 109.0° | 109.5° |
C06 | C05 | H3 | 109.0° | 109.5° |
C05 | C06 | H4 | 107.8° | 109.4° |
C08 | C06 | H4 | 107.8° | 109.5° |
C06 | C08 | H8 | 109.5° | 109.4° |
C06 | C08 | H9 | 109.5° | 109.4° |
C06 | C08 | H10 | 109.5° | 109.5° |
O20 | C19 | S1 | 110.8° | 109.5° |
O20 | C19 | H20 | 108.0° | 109.5° |
C19 | O20 | H39 | 109.5° | 114.0° |
H2 | C05 | H3 | 109.4° | 109.4° |
H5 | C07 | H6 | 109.5° | 109.5° |
H5 | C07 | H7 | 109.5° | 109.5° |
H6 | C07 | H7 | 109.5° | 109.5° |
H8 | C08 | H9 | 109.4° | 109.5° |
H8 | C08 | H10 | 109.5° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.4° |
H12 | C12 | H13 | 109.5° | 109.5° |
H15 | C16 | H16 | 109.5° | 110.2° |
H17 | C17 | H18 | 109.5° | 110.9° |
S1 | C19 | H20 | 113.8° | 109.5° |
C19 | S1 | O1 | 137.2° | 110.6° |
C19 | S1 | O2 | 137.2° | 110.5° |
C19 | S1 | O3 | 137.2° | 104.5° |
H22 | C24 | H23 | 109.5° | 109.5° |
H24 | C25 | H25 | 109.5° | 109.5° |
H26 | C27 | H27 | 109.5° | 109.5° |
H26 | C27 | H28 | 109.5° | 109.5° |
H27 | C27 | H28 | 109.5° | 109.4° |
H29 | C28 | H30 | 109.4° | 109.5° |
H29 | C28 | H31 | 109.5° | 109.5° |
H30 | C28 | H31 | 109.5° | 109.5° |
H32 | C29 | H33 | 109.5° | 109.5° |
H34 | C30 | H35 | 109.5° | 109.5° |
O1 | S1 | O2 | 0.0° | 121.0° |
O1 | S1 | O3 | 0.0° | 104.3° |
O2 | S1 | O3 | 0.0° | 104.3° |
S1 | O3 | H19 | 90.0° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C27 | C26 | C29 | C25 | 119.6° | 120.0° |
C27 | C26 | C29 | C28 | 117.8° | 120.0° |
C27 | C26 | C29 | C30 | 170.8° | 180.0° |
C27 | C26 | C25 | C28 | 117.5° | 120.0° |
C27 | C26 | C25 | C24 | 172.6° | 180.0° |
C27 | C26 | C25 | H24 | 67.0° | 60.1° |
C27 | C26 | C25 | H25 | 52.2° | 59.9° |
C26 | C27 | H26 | H27 | 120.0° | 120.0° |
C26 | C27 | H26 | H28 | 120.0° | 120.0° |
C26 | C27 | H27 | H28 | 120.0° | 120.0° |
C27 | C26 | C28 | H29 | 180.0° | 180.0° |
C27 | C26 | C28 | H30 | 60.0° | 60.0° |
C27 | C26 | C28 | H31 | 60.0° | 60.0° |
C27 | C26 | C29 | H32 | 50.3° | 60.0° |
C27 | C26 | C29 | H33 | 68.8° | 60.0° |
C26 | C29 | C30 | H32 | 120.5° | 120.0° |
C26 | C29 | C30 | H33 | 120.5° | 119.9° |
C29 | C26 | C25 | C28 | 122.5° | 120.0° |
C26 | C29 | C30 | C23 | 51.3° | 60.0° |
C29 | C26 | C25 | C24 | 52.6° | 59.9° |
C29 | C26 | C25 | H24 | 173.0° | 60.0° |
C29 | C26 | C25 | H25 | 67.8° | 180.0° |
C29 | C26 | C27 | H26 | 180.0° | 180.0° |
C29 | C26 | C27 | H27 | 60.0° | 60.0° |
C29 | C26 | C27 | H28 | 60.0° | 60.0° |
C29 | C26 | C28 | H29 | 61.6° | 60.0° |
C29 | C26 | C28 | H30 | 58.4° | 60.0° |
C29 | C26 | C28 | H31 | 178.4° | 180.0° |
C26 | C29 | H32 | H33 | 118.6° | 119.9° |
C26 | C29 | C30 | H34 | 171.8° | 59.9° |
C26 | C29 | C30 | H35 | 69.2° | 180.0° |
C30 | C29 | C26 | C25 | 51.1° | 60.0° |
C30 | C29 | C26 | C28 | 71.4° | 60.0° |
C29 | C30 | C23 | H34 | 120.5° | 120.0° |
C29 | C30 | C23 | H35 | 120.5° | 120.0° |
C29 | C30 | C23 | C24 | 52.3° | 60.0° |
C29 | C30 | C23 | O22 | 171.8° | 180.0° |
C29 | C30 | C23 | H21 | 68.1° | 60.0° |
C30 | C29 | H32 | H33 | 118.6° | 120.0° |
C29 | C30 | H34 | H35 | 118.4° | 120.1° |
O18 | C14 | N15 | C13 | 179.3° | 179.9° |
O18 | C14 | N15 | C16 | 179.2° | 179.6° |
O18 | C14 | C13 | C12 | 52.7° | 45.1° |
O18 | C14 | C13 | C17 | 169.5° | 163.8° |
O18 | C14 | C13 | H14 | 71.2° | 77.5° |
O18 | C14 | N15 | H38 | 0.8° | 0.5° |
C26 | C25 | C24 | H24 | 120.4° | 119.9° |
C26 | C25 | C24 | H25 | 120.4° | 120.1° |
C26 | C25 | C24 | C23 | 53.8° | 59.9° |
C26 | C25 | C24 | H22 | 66.5° | 180.0° |
C26 | C25 | C24 | H23 | 174.2° | 60.1° |
C26 | C25 | H24 | H25 | 118.7° | 120.0° |
C25 | C26 | C27 | H26 | 57.9° | 59.9° |
C25 | C26 | C27 | H27 | 177.9° | 180.0° |
C25 | C26 | C27 | H28 | 62.2° | 60.1° |
C25 | C26 | C28 | H29 | 62.3° | 60.0° |
C25 | C26 | C28 | H30 | 177.7° | 180.0° |
C25 | C26 | C28 | H31 | 57.7° | 60.0° |
C25 | C26 | C29 | H32 | 69.3° | 60.1° |
C25 | C26 | C29 | H33 | 171.6° | 180.0° |
C28 | C26 | C25 | C24 | 69.9° | 60.0° |
C28 | C26 | C25 | H24 | 50.6° | 180.0° |
C28 | C26 | C25 | H25 | 169.7° | 60.0° |
C28 | C26 | C27 | H26 | 61.0° | 60.0° |
C28 | C26 | C27 | H27 | 59.1° | 60.0° |
C28 | C26 | C27 | H28 | 179.0° | 180.0° |
C26 | C28 | H29 | H30 | 120.0° | 120.0° |
C26 | C28 | H29 | H31 | 120.0° | 120.0° |
C26 | C28 | H30 | H31 | 120.0° | 120.0° |
C28 | C26 | C29 | H32 | 168.2° | 180.0° |
C28 | C26 | C29 | H33 | 49.1° | 60.0° |
C30 | C23 | C24 | C25 | 53.4° | 60.0° |
C30 | C23 | C24 | O22 | 118.2° | 119.9° |
C30 | C23 | C24 | H21 | 120.4° | 120.0° |
C30 | C23 | O22 | H21 | 118.7° | 120.0° |
C30 | C23 | O22 | C02 | 145.8° | 90.0° |
C30 | C23 | C24 | H22 | 67.0° | 180.0° |
C30 | C23 | C24 | H23 | 173.7° | 60.0° |
C23 | C30 | C29 | H32 | 69.1° | 60.0° |
C23 | C30 | C29 | H33 | 171.8° | 180.0° |
C23 | C30 | H34 | H35 | 118.5° | 120.0° |
C25 | C24 | C23 | H22 | 120.4° | 120.0° |
C25 | C24 | C23 | H23 | 120.4° | 120.0° |
C25 | C24 | C23 | O22 | 171.6° | 179.9° |
C25 | C24 | C23 | H21 | 67.1° | 60.0° |
C25 | C24 | H22 | H23 | 118.9° | 119.9° |
C24 | C25 | H24 | H25 | 118.7° | 120.0° |
C14 | N15 | C16 | H38 | 180.0° | 179.9° |
N15 | C14 | C13 | C12 | 128.0° | 134.9° |
N15 | C14 | C13 | C17 | 11.2° | 16.3° |
C14 | N15 | C16 | C17 | 12.9° | 16.9° |
N15 | C14 | C13 | H14 | 108.1° | 102.5° |
C14 | N15 | C16 | H15 | 107.0° | 136.0° |
C14 | N15 | C16 | H16 | 132.7° | 102.0° |
C13 | C14 | N15 | C16 | 0.1° | 0.3° |
C14 | C13 | C12 | C17 | 114.0° | 114.7° |
C14 | C13 | C12 | H14 | 122.8° | 122.7° |
C14 | C13 | C17 | H14 | 118.5° | 118.9° |
C14 | C13 | C17 | C16 | 19.3° | 24.8° |
C14 | C13 | C12 | C11 | 174.9° | 179.6° |
C14 | C13 | C12 | H12 | 64.2° | 59.7° |
C14 | C13 | C12 | H13 | 54.0° | 60.4° |
C14 | C13 | C17 | H17 | 100.3° | 93.3° |
C14 | C13 | C17 | H18 | 138.9° | 142.9° |
C13 | C14 | N15 | H38 | 179.9° | 179.6° |
C24 | C23 | O22 | H21 | 120.2° | 120.0° |
C24 | C23 | O22 | C02 | 93.1° | 150.0° |
C23 | C24 | H22 | H23 | 118.9° | 120.1° |
C23 | C24 | C25 | H24 | 174.3° | 60.0° |
C23 | C24 | C25 | H25 | 66.6° | 180.0° |
C24 | C23 | C30 | H34 | 172.8° | 60.0° |
C24 | C23 | C30 | H35 | 68.2° | 180.0° |
C23 | O22 | C02 | O01 | 1.9° | 0.2° |
C23 | O22 | C02 | N03 | 178.2° | 180.0° |
O22 | C23 | C24 | H22 | 51.2° | 60.0° |
O22 | C23 | C24 | H23 | 68.1° | 60.0° |
O22 | C23 | C30 | H34 | 67.6° | 60.0° |
O22 | C23 | C30 | H35 | 51.4° | 60.0° |
N15 | C16 | C17 | C13 | 19.8° | 25.4° |
N15 | C16 | C17 | H15 | 119.8° | 119.1° |
N15 | C16 | C17 | H16 | 119.8° | 119.0° |
N15 | C16 | H15 | H16 | 120.5° | 122.0° |
N15 | C16 | C17 | H17 | 99.8° | 92.8° |
N15 | C16 | C17 | H18 | 139.5° | 143.5° |
O01 | C02 | O22 | N03 | 180.0° | 179.8° |
O01 | C02 | N03 | C04 | 10.0° | 0.1° |
O01 | C02 | N03 | H36 | 170.0° | 180.0° |
O22 | C02 | N03 | C04 | 169.9° | 179.7° |
C02 | O22 | C23 | H21 | 27.1° | 29.9° |
O22 | C02 | N03 | H36 | 10.0° | 0.2° |
C02 | N03 | C04 | H36 | 180.0° | 179.9° |
C02 | N03 | C04 | C09 | 64.2° | 155.0° |
C02 | N03 | C04 | C05 | 176.4° | 85.0° |
C02 | N03 | C04 | H1 | 56.2° | 35.0° |
C12 | C13 | C17 | H14 | 123.7° | 122.5° |
C12 | C13 | C17 | C16 | 137.1° | 143.4° |
C13 | C12 | C11 | H12 | 120.9° | 120.0° |
C13 | C12 | C11 | H13 | 120.9° | 120.1° |
C13 | C12 | C11 | N10 | 56.5° | 63.5° |
C13 | C12 | C11 | C19 | 177.8° | 176.5° |
C13 | C12 | C11 | H11 | 60.9° | 56.5° |
C13 | C12 | H12 | H13 | 117.2° | 120.1° |
C12 | C13 | C17 | H17 | 17.5° | 25.4° |
C12 | C13 | C17 | H18 | 103.3° | 98.4° |
C13 | C17 | C16 | H17 | 119.6° | 118.1° |
C13 | C17 | C16 | H18 | 119.7° | 118.2° |
C17 | C13 | C12 | C11 | 71.1° | 65.6° |
C17 | C13 | C12 | H12 | 49.8° | 174.4° |
C17 | C13 | C12 | H13 | 168.0° | 54.4° |
C13 | C17 | C16 | H15 | 100.0° | 144.4° |
C13 | C17 | C16 | H16 | 139.6° | 93.6° |
C13 | C17 | H17 | H18 | 121.1° | 123.9° |
C16 | C17 | C13 | H14 | 99.2° | 94.1° |
C17 | C16 | H15 | H16 | 120.5° | 121.9° |
C16 | C17 | H17 | H18 | 121.0° | 123.7° |
C17 | C16 | N15 | H38 | 167.2° | 163.0° |
C07 | C06 | C05 | C04 | 61.8° | 175.0° |
C07 | C06 | C05 | C08 | 124.3° | 120.0° |
C07 | C06 | C05 | H4 | 117.7° | 120.0° |
C07 | C06 | C08 | H4 | 118.1° | 120.0° |
C07 | C06 | C05 | H2 | 177.9° | 55.0° |
C07 | C06 | C05 | H3 | 58.5° | 65.0° |
C06 | C07 | H5 | H6 | 120.0° | 120.0° |
C06 | C07 | H5 | H7 | 120.0° | 120.0° |
C06 | C07 | H6 | H7 | 120.0° | 120.0° |
C07 | C06 | C08 | H8 | 180.0° | 60.0° |
C07 | C06 | C08 | H9 | 60.0° | 60.0° |
C07 | C06 | C08 | H10 | 60.0° | 180.0° |
C12 | C11 | N10 | C19 | 126.5° | 120.0° |
C12 | C11 | N10 | H11 | 116.6° | 120.0° |
C12 | C11 | N10 | C09 | 118.7° | 57.4° |
C12 | C11 | C19 | H11 | 116.7° | 120.0° |
C12 | C11 | C19 | O20 | 169.2° | 59.1° |
C11 | C12 | H12 | H13 | 117.1° | 119.9° |
C11 | C12 | C13 | H14 | 52.1° | 56.9° |
C12 | C11 | C19 | S1 | 70.2° | 179.2° |
C12 | C11 | C19 | H20 | 54.0° | 60.9° |
C12 | C11 | N10 | H37 | 61.3° | 122.5° |
N03 | C04 | C09 | N10 | 131.4° | 180.0° |
N03 | C04 | C09 | C05 | 119.4° | 120.0° |
N03 | C04 | C09 | H1 | 121.1° | 120.0° |
N03 | C04 | C05 | H1 | 120.9° | 120.0° |
N03 | C04 | C05 | C06 | 60.8° | 65.0° |
N03 | C04 | C09 | O21 | 47.3° | 0.0° |
N03 | C04 | C05 | H2 | 59.5° | 55.0° |
N03 | C04 | C05 | H3 | 178.9° | 175.0° |
C11 | N10 | C09 | H37 | 180.0° | 180.0° |
C11 | N10 | C09 | C04 | 179.9° | 175.0° |
N10 | C11 | C19 | H11 | 117.5° | 120.0° |
C11 | N10 | C09 | O21 | 1.4° | 5.0° |
N10 | C11 | C19 | O20 | 65.0° | 179.2° |
N10 | C11 | C12 | H12 | 177.4° | 56.5° |
N10 | C11 | C12 | H13 | 64.5° | 176.4° |
N10 | C11 | C19 | S1 | 55.6° | 60.8° |
N10 | C11 | C19 | H20 | 179.9° | 59.1° |
N10 | C09 | C04 | O21 | 178.7° | 180.0° |
N10 | C09 | C04 | C05 | 109.3° | 60.0° |
C09 | N10 | C11 | C19 | 114.9° | 62.6° |
N10 | C09 | C04 | H1 | 10.2° | 60.0° |
C09 | N10 | C11 | H11 | 2.0° | 177.4° |
C09 | C04 | C05 | H1 | 119.5° | 120.0° |
C09 | C04 | C05 | C06 | 179.6° | 175.0° |
C09 | C04 | C05 | H2 | 60.1° | 65.0° |
C09 | C04 | C05 | H3 | 59.3° | 55.0° |
C09 | C04 | N03 | H36 | 115.7° | 25.0° |
C04 | C09 | N10 | H37 | 0.1° | 5.0° |
C04 | C05 | C06 | H2 | 120.3° | 120.0° |
C04 | C05 | C06 | H3 | 120.3° | 120.0° |
C04 | C05 | C06 | C08 | 173.9° | 65.0° |
C05 | C04 | C09 | O21 | 72.0° | 120.0° |
C04 | C05 | H2 | H3 | 119.1° | 120.0° |
C04 | C05 | C06 | H4 | 55.9° | 55.0° |
C05 | C04 | N03 | H36 | 3.6° | 95.0° |
C11 | C19 | O20 | S1 | 120.7° | 120.0° |
C11 | C19 | O20 | H20 | 114.1° | 120.0° |
C19 | C11 | C12 | H12 | 56.9° | 63.5° |
C19 | C11 | C12 | H13 | 61.3° | 56.4° |
C11 | C19 | S1 | H20 | 119.9° | 120.0° |
C19 | C11 | N10 | H37 | 65.1° | 117.5° |
C11 | C19 | O20 | H39 | 180.0° | 60.0° |
C11 | C19 | S1 | O1 | 75.9° | 50.3° |
C11 | C19 | S1 | O2 | 75.9° | 173.0° |
C11 | C19 | S1 | O3 | 75.9° | 61.4° |
C05 | C06 | C08 | H4 | 118.0° | 119.9° |
C06 | C05 | C04 | H1 | 60.0° | 55.0° |
C06 | C05 | H2 | H3 | 119.1° | 120.0° |
C05 | C06 | C07 | H5 | 180.0° | 60.0° |
C05 | C06 | C07 | H6 | 60.0° | 180.0° |
C05 | C06 | C07 | H7 | 60.0° | 60.0° |
C05 | C06 | C08 | H8 | 56.0° | 180.0° |
C05 | C06 | C08 | H9 | 63.9° | 60.0° |
C05 | C06 | C08 | H10 | 176.1° | 59.9° |
C08 | C06 | C05 | H2 | 53.6° | 175.0° |
C08 | C06 | C05 | H3 | 65.8° | 55.1° |
C08 | C06 | C07 | H5 | 55.8° | 60.0° |
C08 | C06 | C07 | H6 | 64.2° | 60.0° |
C08 | C06 | C07 | H7 | 175.8° | 180.0° |
C06 | C08 | H8 | H9 | 120.0° | 119.9° |
C06 | C08 | H8 | H10 | 120.0° | 120.0° |
C06 | C08 | H9 | H10 | 120.0° | 120.0° |
O21 | C09 | C04 | H1 | 168.4° | 120.0° |
O21 | C09 | N10 | H37 | 178.6° | 175.0° |
O20 | C19 | C11 | H11 | 52.5° | 60.8° |
O20 | C19 | S1 | H20 | 121.9° | 120.0° |
O20 | C19 | S1 | O1 | 165.8° | 69.8° |
O20 | C19 | S1 | O2 | 165.8° | 67.0° |
O20 | C19 | S1 | O3 | 165.8° | 178.6° |
H1 | C04 | C05 | H2 | 179.6° | 175.0° |
H1 | C04 | C05 | H3 | 60.3° | 65.0° |
H1 | C04 | N03 | H36 | 123.8° | 145.0° |
H2 | C05 | C06 | H4 | 64.4° | 65.0° |
H3 | C05 | C06 | H4 | 176.2° | 175.0° |
H4 | C06 | C07 | H5 | 62.3° | 180.0° |
H4 | C06 | C07 | H6 | 177.7° | 60.0° |
H4 | C06 | C07 | H7 | 57.7° | 60.0° |
H4 | C06 | C08 | H8 | 61.9° | 60.1° |
H4 | C06 | C08 | H9 | 178.1° | 180.0° |
H4 | C06 | C08 | H10 | 58.1° | 60.0° |
H5 | C07 | H6 | H7 | 120.0° | 120.0° |
H8 | C08 | H9 | H10 | 120.0° | 120.1° |
H11 | C11 | C12 | H12 | 60.0° | 176.4° |
H11 | C11 | C12 | H13 | 178.1° | 63.6° |
H11 | C11 | C19 | S1 | 173.1° | 59.2° |
H11 | C11 | C19 | H20 | 62.7° | 179.2° |
H11 | C11 | N10 | H37 | 178.0° | 2.6° |
H12 | C12 | C13 | H14 | 173.0° | 63.0° |
H13 | C12 | C13 | H14 | 68.8° | 176.9° |
H14 | C13 | C17 | H17 | 141.2° | 147.9° |
H14 | C13 | C17 | H18 | 20.4° | 24.1° |
H15 | C16 | C17 | H17 | 140.3° | 26.3° |
H15 | C16 | C17 | H18 | 19.6° | 97.4° |
H15 | C16 | N15 | H38 | 73.0° | 43.9° |
H16 | C16 | C17 | H17 | 20.0° | 148.2° |
H16 | C16 | C17 | H18 | 100.7° | 24.5° |
H16 | C16 | N15 | H38 | 47.3° | 78.1° |
S1 | C19 | O20 | H39 | 59.3° | 180.0° |
C19 | S1 | O1 | O2 | 90.0° | 131.5° |
C19 | S1 | O1 | O3 | 90.0° | 111.8° |
C19 | S1 | O2 | O3 | 90.0° | 111.7° |
C19 | S1 | O3 | H19 | 90.0° | 180.0° |
H20 | C19 | O20 | H39 | 65.9° | 60.0° |
H20 | C19 | S1 | O1 | 44.0° | 170.2° |
H20 | C19 | S1 | O2 | 44.0° | 53.1° |
H20 | C19 | S1 | O3 | 44.0° | 58.6° |
H21 | C23 | C24 | H22 | 172.6° | 60.0° |
H21 | C23 | C24 | H23 | 53.3° | 180.0° |
H21 | C23 | C30 | H34 | 52.4° | 180.0° |
H21 | C23 | C30 | H35 | 171.4° | 60.0° |
H22 | C24 | C25 | H24 | 53.9° | 60.1° |
H22 | C24 | C25 | H25 | 173.1° | 59.9° |
H23 | C24 | C25 | H24 | 65.3° | 180.0° |
H23 | C24 | C25 | H25 | 53.8° | 60.0° |
H26 | C27 | H27 | H28 | 120.0° | 120.0° |
H29 | C28 | H30 | H31 | 120.0° | 120.0° |
H32 | C29 | C30 | H34 | 51.4° | 180.0° |
H32 | C29 | C30 | H35 | 170.4° | 60.0° |
H33 | C29 | C30 | H34 | 67.7° | 60.0° |
H33 | C29 | C30 | H35 | 51.3° | 60.1° |
O1 | S1 | O2 | O3 | 90.0° | 116.8° |
O1 | S1 | O3 | H19 | 90.0° | 63.9° |
O2 | S1 | O3 | H19 | 90.0° | 64.0° |