ITG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C24 | C23 | sing | 1.53Å | 1.52Å | |
C24 | C22 | sing | 1.53Å | 1.52Å | |
O10 | C06 | doub | 1.21Å | 1.22Å | |
C23 | C22 | sing | 1.53Å | 1.57Å | |
C23 | C25 | sing | 1.53Å | 1.54Å | |
C22 | C21 | sing | 1.53Å | 1.58Å | |
C06 | N07 | sing | 1.34Å | 1.39Å | |
C06 | C05 | sing | 1.51Å | 1.53Å | |
C25 | C26 | sing | 1.53Å | 1.56Å | |
N07 | C08 | sing | 1.47Å | 1.46Å | |
C21 | O20 | sing | 1.45Å | 1.47Å | |
O28 | C19 | doub | 1.21Å | 1.23Å | |
O20 | C19 | sing | 1.35Å | 1.39Å | |
C26 | C27 | sing | 1.53Å | 1.54Å | |
C05 | C04 | sing | 1.53Å | 1.53Å | |
C05 | C09 | sing | 1.55Å | 1.53Å | |
C19 | N18 | sing | 1.35Å | 1.39Å | |
C08 | C09 | sing | 1.54Å | 1.54Å | |
C16 | C15 | sing | 1.53Å | 1.53Å | |
C04 | C03 | sing | 1.53Å | 1.54Å | |
N18 | C13 | sing | 1.47Å | 1.49Å | |
SG | C01 | sing | 1.81Å | 1.80Å | |
C13 | C12 | sing | 1.51Å | 1.59Å | |
C13 | C14 | sing | 1.53Å | 1.55Å | |
N11 | C03 | sing | 1.47Å | 1.46Å | |
N11 | C12 | sing | 1.35Å | 1.37Å | |
C15 | C14 | sing | 1.53Å | 1.55Å | |
C15 | C17 | sing | 1.53Å | 1.56Å | |
C03 | C01 | sing | 1.53Å | 1.56Å | |
C12 | O29 | doub | 1.21Å | 1.23Å | |
C01 | O02 | sing | 1.43Å | 1.42Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C16 | H3 | sing | 1.09Å | 1.10Å | |
C16 | H4 | sing | 1.09Å | 1.10Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C17 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C24 | H9 | sing | 1.09Å | 1.10Å | |
C24 | H10 | sing | 1.09Å | 1.10Å | |
C25 | H11 | sing | 1.09Å | 1.10Å | |
C26 | H12 | sing | 1.09Å | 1.10Å | |
C27 | H13 | sing | 1.09Å | 1.10Å | |
C27 | H14 | sing | 1.09Å | 1.10Å | |
C27 | H15 | sing | 1.09Å | 1.10Å | |
N11 | H16 | sing | 0.97Å | 1.00Å | |
C01 | H17 | sing | 1.09Å | 1.10Å | |
C03 | H18 | sing | 1.09Å | 1.10Å | |
C04 | H19 | sing | 1.09Å | 1.10Å | |
C04 | H20 | sing | 1.09Å | 1.10Å | |
C05 | H21 | sing | 1.09Å | 1.10Å | |
C08 | H22 | sing | 1.09Å | 1.10Å | |
C08 | H23 | sing | 1.09Å | 1.10Å | |
C09 | H24 | sing | 1.09Å | 1.10Å | |
C09 | H25 | sing | 1.09Å | 1.10Å | |
C13 | H26 | sing | 1.09Å | 1.10Å | |
C14 | H27 | sing | 1.09Å | 1.10Å | |
C14 | H28 | sing | 1.09Å | 1.10Å | |
C21 | H29 | sing | 1.09Å | 1.10Å | |
C21 | H30 | sing | 1.09Å | 1.10Å | |
C23 | H31 | sing | 1.09Å | 1.10Å | |
N07 | H32 | sing | 0.97Å | 1.00Å | |
N18 | H33 | sing | 0.97Å | 1.00Å | |
O02 | H34 | sing | 0.97Å | 0.95Å | |
SG | O2 | sing | 1.52Å | 33.76Å | |
SG | O1 | doub | 1.42Å | 1.81Å | |
SG | O3 | doub | 1.42Å | 33.76Å | |
C25 | H36 | sing | 1.09Å | 1.10Å | |
C26 | H37 | sing | 1.09Å | 1.10Å | |
O2 | H35 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C23 | C24 | C22 | 62.0° | 60.0° |
C24 | C23 | C22 | 59.1° | 60.0° |
C24 | C23 | C25 | 120.6° | 117.5° |
C23 | C24 | H9 | 119.7° | 117.5° |
C23 | C24 | H10 | 119.7° | 117.5° |
C24 | C23 | H31 | 115.2° | 117.5° |
C24 | C22 | C23 | 58.9° | 60.0° |
C24 | C22 | C21 | 123.1° | 117.5° |
C24 | C22 | H2 | 116.3° | 117.5° |
C22 | C24 | H9 | 119.7° | 117.5° |
C22 | C24 | H10 | 119.6° | 117.5° |
O10 | C06 | N07 | 125.1° | 125.0° |
O10 | C06 | C05 | 122.5° | 125.0° |
C22 | C23 | C25 | 121.4° | 117.5° |
C23 | C22 | C21 | 115.6° | 117.5° |
C23 | C22 | H2 | 115.5° | 117.5° |
C22 | C23 | H31 | 114.4° | 117.5° |
C23 | C25 | C26 | 118.0° | 109.5° |
C23 | C25 | H11 | 107.3° | 109.5° |
C25 | C23 | H31 | 114.9° | 115.6° |
C23 | C25 | H36 | 107.3° | 109.4° |
C22 | C21 | O20 | 114.5° | 109.5° |
C21 | C22 | H2 | 115.2° | 115.6° |
C22 | C21 | H29 | 108.2° | 109.5° |
C22 | C21 | H30 | 108.2° | 109.5° |
N07 | C06 | C05 | 112.4° | 110.1° |
C06 | N07 | C08 | 109.7° | 111.3° |
C06 | N07 | H32 | 125.1° | 124.3° |
C06 | C05 | C04 | 116.5° | 110.5° |
C06 | C05 | C09 | 101.0° | 104.2° |
C06 | C05 | H21 | 110.3° | 110.6° |
C25 | C26 | C27 | 117.7° | 109.5° |
C26 | C25 | H11 | 107.3° | 109.5° |
C25 | C26 | H12 | 107.4° | 109.5° |
C26 | C25 | H36 | 107.3° | 109.5° |
C25 | C26 | H37 | 107.4° | 109.5° |
N07 | C08 | C09 | 105.0° | 105.5° |
N07 | C08 | H22 | 110.5° | 110.2° |
N07 | C08 | H23 | 110.6° | 110.4° |
C08 | N07 | H32 | 125.1° | 124.4° |
C21 | O20 | C19 | 122.6° | 117.0° |
O20 | C21 | H29 | 108.2° | 109.4° |
O20 | C21 | H30 | 108.2° | 109.5° |
O28 | C19 | O20 | 117.9° | 120.0° |
O28 | C19 | N18 | 119.6° | 120.1° |
O20 | C19 | N18 | 122.5° | 119.9° |
C27 | C26 | H12 | 107.4° | 109.5° |
C26 | C27 | H13 | 109.5° | 109.4° |
C26 | C27 | H14 | 109.4° | 109.5° |
C26 | C27 | H15 | 109.5° | 109.5° |
C27 | C26 | H37 | 107.4° | 109.5° |
C04 | C05 | C09 | 108.2° | 110.5° |
C05 | C04 | C03 | 113.7° | 109.4° |
C05 | C04 | H19 | 108.4° | 109.5° |
C05 | C04 | H20 | 108.4° | 109.5° |
C04 | C05 | H21 | 110.2° | 110.4° |
C05 | C09 | C08 | 106.9° | 101.8° |
C09 | C05 | H21 | 110.2° | 110.5° |
C05 | C09 | H24 | 110.1° | 111.0° |
C05 | C09 | H25 | 110.1° | 111.0° |
C19 | N18 | C13 | 122.2° | 119.9° |
C19 | N18 | H33 | 118.9° | 120.1° |
C09 | C08 | H22 | 110.6° | 110.2° |
C09 | C08 | H23 | 110.5° | 110.2° |
C08 | C09 | H24 | 110.1° | 111.0° |
C08 | C09 | H25 | 110.1° | 111.0° |
C16 | C15 | C14 | 112.0° | 109.4° |
C16 | C15 | C17 | 110.8° | 109.5° |
C16 | C15 | H1 | 106.8° | 109.5° |
C15 | C16 | H3 | 109.5° | 109.4° |
C15 | C16 | H4 | 109.5° | 109.5° |
C15 | C16 | H5 | 109.5° | 109.5° |
C04 | C03 | N11 | 110.7° | 109.5° |
C04 | C03 | C01 | 109.7° | 109.4° |
C04 | C03 | H18 | 108.2° | 109.5° |
C03 | C04 | H19 | 108.4° | 109.5° |
C03 | C04 | H20 | 108.4° | 109.5° |
N18 | C13 | C12 | 111.2° | 109.5° |
N18 | C13 | C14 | 112.8° | 109.5° |
N18 | C13 | H26 | 108.5° | 109.5° |
C13 | N18 | H33 | 118.9° | 120.0° |
SG | C01 | C03 | 108.9° | 109.5° |
SG | C01 | O02 | 108.6° | 109.5° |
SG | C01 | H17 | 107.8° | 109.5° |
C01 | SG | O2 | 132.7° | 104.4° |
C01 | SG | O1 | 100.7° | 110.6° |
C01 | SG | O3 | 132.7° | 110.6° |
C12 | C13 | C14 | 108.9° | 109.5° |
C13 | C12 | N11 | 121.7° | 120.0° |
C13 | C12 | O29 | 117.9° | 120.0° |
C12 | C13 | H26 | 107.3° | 109.4° |
C13 | C14 | C15 | 114.0° | 109.5° |
C14 | C13 | H26 | 107.8° | 109.5° |
C13 | C14 | H27 | 108.3° | 109.5° |
C13 | C14 | H28 | 108.3° | 109.5° |
C03 | N11 | C12 | 125.4° | 120.0° |
N11 | C03 | C01 | 110.9° | 109.5° |
C03 | N11 | H16 | 117.3° | 120.1° |
N11 | C03 | H18 | 109.4° | 109.5° |
N11 | C12 | O29 | 120.4° | 120.0° |
C12 | N11 | H16 | 117.3° | 120.0° |
C14 | C15 | C17 | 113.9° | 109.5° |
C14 | C15 | H1 | 106.5° | 109.4° |
C15 | C14 | H27 | 108.3° | 109.4° |
C15 | C14 | H28 | 108.3° | 109.5° |
C17 | C15 | H1 | 106.4° | 109.5° |
C15 | C17 | H6 | 109.5° | 109.5° |
C15 | C17 | H7 | 109.4° | 109.5° |
C15 | C17 | H8 | 109.5° | 109.5° |
C03 | C01 | O02 | 107.8° | 109.4° |
C03 | C01 | H17 | 110.7° | 109.4° |
C01 | C03 | H18 | 108.0° | 109.5° |
O02 | C01 | H17 | 113.0° | 109.5° |
C01 | O02 | H34 | 109.5° | 114.0° |
H3 | C16 | H4 | 109.4° | 109.5° |
H3 | C16 | H5 | 109.4° | 109.5° |
H4 | C16 | H5 | 109.5° | 109.5° |
H6 | C17 | H7 | 109.5° | 109.4° |
H6 | C17 | H8 | 109.5° | 109.4° |
H7 | C17 | H8 | 109.5° | 109.5° |
H9 | C24 | H10 | 109.5° | 115.6° |
H11 | C25 | H36 | 109.5° | 109.5° |
H12 | C26 | H37 | 109.4° | 109.4° |
H13 | C27 | H14 | 109.5° | 109.5° |
H13 | C27 | H15 | 109.5° | 109.6° |
H14 | C27 | H15 | 109.5° | 109.4° |
H19 | C04 | H20 | 109.5° | 109.5° |
H22 | C08 | H23 | 109.5° | 110.2° |
H24 | C09 | H25 | 109.5° | 110.9° |
H27 | C14 | H28 | 109.5° | 109.5° |
H29 | C21 | H30 | 109.5° | 109.4° |
O2 | SG | O1 | 82.2° | 104.3° |
O2 | SG | O3 | 0.0° | 104.3° |
SG | O2 | H35 | 90.0° | 114.0° |
O1 | SG | O3 | 82.2° | 121.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C23 | C24 | C22 | H9 | 110.0° | 107.5° |
C23 | C24 | C22 | H10 | 110.0° | 107.4° |
C24 | C23 | C22 | C25 | 109.3° | 107.5° |
C24 | C23 | C22 | H31 | 105.9° | 107.5° |
C24 | C23 | C25 | H31 | 145.1° | 145.7° |
C23 | C24 | C22 | C21 | 102.0° | 107.5° |
C24 | C23 | C25 | C26 | 175.9° | 116.4° |
C23 | C24 | C22 | H2 | 105.2° | 107.5° |
C23 | C24 | H9 | H10 | 143.6° | 145.7° |
C24 | C23 | C25 | H11 | 62.9° | 123.6° |
C24 | C23 | C25 | H36 | 54.7° | 3.6° |
C24 | C22 | C21 | H2 | 153.1° | 145.6° |
C24 | C22 | C21 | O20 | 111.1° | 116.2° |
C22 | C24 | H9 | H10 | 143.6° | 145.7° |
C24 | C22 | C21 | H29 | 128.2° | 3.8° |
C24 | C22 | C21 | H30 | 9.7° | 123.7° |
O10 | C06 | N07 | C05 | 179.6° | 180.0° |
O10 | C06 | N07 | C08 | 179.8° | 179.5° |
O10 | C06 | C05 | C04 | 49.8° | 45.1° |
O10 | C06 | C05 | C09 | 166.7° | 163.8° |
O10 | C06 | C05 | H21 | 76.8° | 77.5° |
O10 | C06 | N07 | H32 | 0.2° | 0.4° |
C22 | C23 | C25 | H31 | 144.6° | 145.7° |
C23 | C22 | C21 | H2 | 138.8° | 145.7° |
C22 | C23 | C25 | C26 | 105.6° | 175.0° |
C23 | C22 | C21 | O20 | 42.9° | 175.1° |
C22 | C23 | C25 | H11 | 133.2° | 55.0° |
C23 | C22 | C21 | H29 | 163.7° | 64.9° |
C23 | C22 | C21 | H30 | 77.8° | 55.1° |
C22 | C23 | C25 | H36 | 15.6° | 65.0° |
C25 | C23 | C22 | C21 | 135.9° | 145.0° |
C23 | C25 | C26 | H11 | 121.2° | 120.0° |
C23 | C25 | C26 | H36 | 121.2° | 120.0° |
C23 | C25 | C26 | C27 | 175.2° | 180.0° |
C25 | C23 | C22 | H2 | 2.8° | 0.0° |
C25 | C23 | C24 | H9 | 0.5° | 145.0° |
C25 | C23 | C24 | H10 | 139.5° | 0.0° |
C23 | C25 | H11 | H36 | 116.1° | 120.0° |
C23 | C25 | C26 | H12 | 54.0° | 60.0° |
C23 | C25 | C26 | H37 | 63.6° | 60.0° |
C22 | C21 | O20 | H29 | 120.7° | 120.0° |
C22 | C21 | O20 | H30 | 120.8° | 120.0° |
C22 | C21 | O20 | C19 | 168.6° | 180.0° |
C21 | C22 | C24 | H9 | 148.0° | 0.1° |
C21 | C22 | C24 | H10 | 8.0° | 145.0° |
C22 | C21 | H29 | H30 | 117.7° | 120.0° |
C21 | C22 | C23 | H31 | 8.9° | 0.0° |
C06 | N07 | C08 | H32 | 180.0° | 179.9° |
N07 | C06 | C05 | C04 | 129.9° | 134.9° |
N07 | C06 | C05 | C09 | 12.9° | 16.2° |
C06 | N07 | C08 | C09 | 13.9° | 17.1° |
N07 | C06 | C05 | H21 | 103.6° | 102.6° |
C06 | N07 | C08 | H22 | 105.4° | 136.0° |
C06 | N07 | C08 | H23 | 133.2° | 102.0° |
C05 | C06 | N07 | C08 | 0.6° | 0.5° |
C06 | C05 | C04 | C09 | 112.9° | 114.8° |
C06 | C05 | C04 | H21 | 126.6° | 122.6° |
C06 | C05 | C09 | H21 | 116.6° | 118.8° |
C06 | C05 | C09 | C08 | 20.6° | 24.8° |
C06 | C05 | C04 | C03 | 177.6° | 179.0° |
C06 | C05 | C04 | H19 | 61.8° | 59.1° |
C06 | C05 | C04 | H20 | 57.0° | 61.0° |
C06 | C05 | C09 | H24 | 99.0° | 93.3° |
C06 | C05 | C09 | H25 | 140.2° | 142.9° |
C05 | C06 | N07 | H32 | 179.5° | 179.6° |
C25 | C26 | C27 | H12 | 121.2° | 120.0° |
C25 | C26 | C27 | H37 | 121.2° | 120.0° |
C26 | C25 | H11 | H36 | 116.2° | 120.0° |
C25 | C26 | H12 | H37 | 116.3° | 120.0° |
C25 | C26 | C27 | H13 | 180.0° | 60.0° |
C25 | C26 | C27 | H14 | 60.0° | 180.0° |
C25 | C26 | C27 | H15 | 60.0° | 60.1° |
C26 | C25 | C23 | H31 | 39.0° | 29.3° |
N07 | C08 | C09 | C05 | 22.0° | 25.4° |
N07 | C08 | C09 | H22 | 119.3° | 119.0° |
N07 | C08 | C09 | H23 | 119.3° | 119.2° |
N07 | C08 | H22 | H23 | 122.1° | 122.1° |
N07 | C08 | C09 | H24 | 97.6° | 92.7° |
N07 | C08 | C09 | H25 | 141.6° | 143.6° |
C21 | O20 | C19 | O28 | 12.8° | 0.0° |
C21 | O20 | C19 | N18 | 167.2° | 180.0° |
O20 | C21 | C22 | H2 | 95.8° | 29.4° |
O20 | C21 | H29 | H30 | 117.7° | 120.0° |
O28 | C19 | O20 | N18 | 179.9° | 180.0° |
O28 | C19 | N18 | C13 | 5.8° | 5.0° |
O28 | C19 | N18 | H33 | 174.2° | 175.0° |
O20 | C19 | N18 | C13 | 174.1° | 175.0° |
C19 | O20 | C21 | H29 | 70.6° | 60.0° |
C19 | O20 | C21 | H30 | 47.9° | 60.0° |
O20 | C19 | N18 | H33 | 5.8° | 5.0° |
C27 | C26 | C25 | H11 | 63.6° | 60.0° |
C27 | C26 | H12 | H37 | 116.2° | 120.0° |
C26 | C27 | H13 | H14 | 120.0° | 120.0° |
C26 | C27 | H13 | H15 | 120.0° | 120.0° |
C26 | C27 | H14 | H15 | 120.0° | 120.0° |
C27 | C26 | C25 | H36 | 54.0° | 60.0° |
C04 | C05 | C09 | H21 | 120.5° | 122.5° |
C04 | C05 | C09 | C08 | 143.5° | 143.5° |
C05 | C04 | C03 | H19 | 120.6° | 120.0° |
C05 | C04 | C03 | H20 | 120.6° | 120.0° |
C05 | C04 | C03 | N11 | 58.3° | 64.7° |
C05 | C04 | C03 | C01 | 179.1° | 175.3° |
C05 | C04 | C03 | H18 | 61.5° | 55.3° |
C05 | C04 | H19 | H20 | 118.1° | 120.0° |
C04 | C05 | C09 | H24 | 23.9° | 25.3° |
C04 | C05 | C09 | H25 | 96.9° | 98.4° |
C05 | C09 | C08 | H24 | 119.6° | 118.1° |
C05 | C09 | C08 | H25 | 119.6° | 118.1° |
C09 | C05 | C04 | C03 | 69.5° | 66.2° |
C09 | C05 | C04 | H19 | 51.1° | 173.8° |
C09 | C05 | C04 | H20 | 169.8° | 53.8° |
C05 | C09 | C08 | H22 | 97.3° | 144.4° |
C05 | C09 | C08 | H23 | 141.2° | 93.7° |
C05 | C09 | H24 | H25 | 121.2° | 123.8° |
C19 | N18 | C13 | H33 | 180.0° | 180.0° |
C19 | N18 | C13 | C12 | 63.1° | 151.0° |
C19 | N18 | C13 | C14 | 174.2° | 88.9° |
C19 | N18 | C13 | H26 | 54.8° | 31.1° |
C08 | C09 | C05 | H21 | 96.0° | 94.0° |
C09 | C08 | H22 | H23 | 122.0° | 121.9° |
C08 | C09 | H24 | H25 | 121.2° | 123.8° |
C09 | C08 | N07 | H32 | 166.1° | 163.0° |
C16 | C15 | C14 | C13 | 64.2° | 66.4° |
C16 | C15 | C14 | C17 | 126.7° | 120.0° |
C16 | C15 | C14 | H1 | 116.4° | 119.9° |
C16 | C15 | C17 | H1 | 115.6° | 120.0° |
C15 | C16 | H3 | H4 | 120.0° | 120.0° |
C15 | C16 | H3 | H5 | 120.0° | 120.0° |
C15 | C16 | H4 | H5 | 120.0° | 120.0° |
C16 | C15 | C17 | H6 | 180.0° | 180.0° |
C16 | C15 | C17 | H7 | 60.0° | 60.1° |
C16 | C15 | C17 | H8 | 60.0° | 60.0° |
C16 | C15 | C14 | H27 | 175.2° | 173.6° |
C16 | C15 | C14 | H28 | 56.5° | 53.6° |
C04 | C03 | C01 | SG | 68.8° | 65.0° |
C04 | C03 | N11 | C01 | 121.9° | 119.9° |
C04 | C03 | N11 | H18 | 119.1° | 120.0° |
C04 | C03 | N11 | C12 | 119.6° | 153.4° |
C04 | C03 | C01 | H18 | 117.7° | 120.0° |
C04 | C03 | C01 | O02 | 173.6° | 175.0° |
C04 | C03 | N11 | H16 | 60.4° | 26.6° |
C04 | C03 | C01 | H17 | 49.6° | 55.0° |
C03 | C04 | H19 | H20 | 118.1° | 120.1° |
C03 | C04 | C05 | H21 | 51.0° | 56.4° |
N18 | C13 | C12 | C14 | 125.0° | 120.1° |
N18 | C13 | C12 | H26 | 118.6° | 120.0° |
N18 | C13 | C14 | H26 | 119.8° | 120.0° |
N18 | C13 | C12 | N11 | 132.3° | 168.7° |
N18 | C13 | C14 | C15 | 60.5° | 170.3° |
N18 | C13 | C12 | O29 | 47.0° | 11.4° |
N18 | C13 | C14 | H27 | 60.1° | 69.7° |
N18 | C13 | C14 | H28 | 178.9° | 50.3° |
SG | C01 | C03 | N11 | 53.7° | 54.9° |
SG | C01 | C03 | O02 | 117.6° | 120.0° |
SG | C01 | C03 | H17 | 118.4° | 120.0° |
SG | C01 | O02 | H17 | 119.5° | 120.1° |
SG | C01 | C03 | H18 | 173.5° | 175.0° |
SG | C01 | O02 | H34 | 180.0° | 60.0° |
C01 | SG | O2 | O1 | 97.4° | 116.1° |
C01 | SG | O2 | O3 | 90.0° | 116.1° |
C01 | SG | O1 | O3 | 132.1° | 131.6° |
C01 | SG | O2 | H35 | 90.0° | 180.0° |
C12 | C13 | C14 | H26 | 116.2° | 119.9° |
C13 | C12 | N11 | C03 | 179.2° | 173.8° |
C13 | C12 | N11 | O29 | 179.3° | 180.0° |
C12 | C13 | C14 | C15 | 175.4° | 69.7° |
C13 | C12 | N11 | H16 | 0.8° | 6.1° |
C12 | C13 | C14 | H27 | 63.9° | 50.3° |
C12 | C13 | C14 | H28 | 54.8° | 170.3° |
C12 | C13 | N18 | H33 | 116.9° | 29.0° |
C14 | C13 | C12 | N11 | 102.7° | 71.3° |
C13 | C14 | C15 | H27 | 120.6° | 120.0° |
C13 | C14 | C15 | H28 | 120.7° | 120.0° |
C13 | C14 | C15 | C17 | 169.1° | 173.7° |
C14 | C13 | C12 | O29 | 78.0° | 108.7° |
C13 | C14 | C15 | H1 | 52.2° | 53.6° |
C13 | C14 | H27 | H28 | 118.0° | 120.0° |
C14 | C13 | N18 | H33 | 5.8° | 91.1° |
C03 | N11 | C12 | H16 | 180.0° | 180.0° |
N11 | C03 | C01 | H18 | 119.8° | 120.1° |
C03 | N11 | C12 | O29 | 0.1° | 6.2° |
N11 | C03 | C01 | O02 | 63.9° | 65.1° |
N11 | C03 | C01 | H17 | 172.1° | 175.0° |
N11 | C03 | C04 | H19 | 178.9° | 55.2° |
N11 | C03 | C04 | H20 | 62.3° | 175.3° |
C12 | N11 | C03 | C01 | 118.5° | 86.7° |
C12 | N11 | C03 | H18 | 0.4° | 33.3° |
N11 | C12 | C13 | H26 | 13.8° | 48.7° |
C14 | C15 | C17 | H1 | 117.0° | 120.0° |
C14 | C15 | C16 | H3 | 180.0° | 176.8° |
C14 | C15 | C16 | H4 | 60.0° | 56.8° |
C14 | C15 | C16 | H5 | 60.0° | 63.2° |
C14 | C15 | C17 | H6 | 52.6° | 60.0° |
C14 | C15 | C17 | H7 | 67.4° | 180.0° |
C14 | C15 | C17 | H8 | 172.6° | 59.9° |
C15 | C14 | C13 | H26 | 59.3° | 50.3° |
C15 | C14 | H27 | H28 | 117.9° | 120.0° |
C17 | C15 | C16 | H3 | 51.6° | 63.2° |
C17 | C15 | C16 | H4 | 68.4° | 176.8° |
C17 | C15 | C16 | H5 | 171.6° | 56.8° |
C15 | C17 | H6 | H7 | 120.0° | 120.0° |
C15 | C17 | H6 | H8 | 120.0° | 120.0° |
C15 | C17 | H7 | H8 | 120.0° | 120.1° |
C17 | C15 | C14 | H27 | 48.4° | 53.7° |
C17 | C15 | C14 | H28 | 70.3° | 66.4° |
C03 | C01 | O02 | H17 | 122.7° | 120.0° |
C01 | C03 | N11 | H16 | 61.5° | 93.3° |
C01 | C03 | C04 | H19 | 58.4° | 64.7° |
C01 | C03 | C04 | H20 | 60.3° | 55.4° |
C03 | C01 | O02 | H34 | 62.2° | 60.0° |
C03 | C01 | SG | O2 | 81.6° | 180.0° |
C03 | C01 | SG | O1 | 170.8° | 68.4° |
C03 | C01 | SG | O3 | 81.6° | 68.4° |
O29 | C12 | N11 | H16 | 179.9° | 173.8° |
O29 | C12 | C13 | H26 | 165.6° | 131.3° |
O02 | C01 | C03 | H18 | 55.9° | 55.0° |
O02 | C01 | SG | O2 | 161.3° | 60.0° |
O02 | C01 | SG | O1 | 72.1° | 171.6° |
O02 | C01 | SG | O3 | 161.3° | 51.6° |
H1 | C15 | C16 | H3 | 63.8° | 56.9° |
H1 | C15 | C16 | H4 | 176.2° | 63.1° |
H1 | C15 | C16 | H5 | 56.2° | 176.8° |
H1 | C15 | C17 | H6 | 64.3° | 60.0° |
H1 | C15 | C17 | H7 | 175.6° | 60.0° |
H1 | C15 | C17 | H8 | 55.7° | 180.0° |
H1 | C15 | C14 | H27 | 68.5° | 66.4° |
H1 | C15 | C14 | H28 | 172.8° | 173.6° |
H2 | C22 | C24 | H9 | 4.8° | 145.1° |
H2 | C22 | C24 | H10 | 144.8° | 0.0° |
H2 | C22 | C21 | H29 | 24.9° | 149.4° |
H2 | C22 | C21 | H30 | 143.4° | 90.6° |
H2 | C22 | C23 | H31 | 147.6° | 145.0° |
H3 | C16 | H4 | H5 | 120.0° | 120.0° |
H6 | C17 | H7 | H8 | 120.0° | 119.9° |
H9 | C24 | C23 | H31 | 145.5° | 0.0° |
H10 | C24 | C23 | H31 | 5.5° | 145.0° |
H11 | C25 | C26 | H12 | 175.2° | 60.0° |
H11 | C25 | C23 | H31 | 82.2° | 90.7° |
H11 | C25 | C26 | H37 | 57.6° | 180.0° |
H12 | C26 | C27 | H13 | 58.8° | 60.0° |
H12 | C26 | C27 | H14 | 178.8° | 60.0° |
H12 | C26 | C27 | H15 | 61.2° | 179.9° |
H12 | C26 | C25 | H36 | 67.2° | 179.9° |
H13 | C27 | H14 | H15 | 120.0° | 120.1° |
H13 | C27 | C26 | H37 | 58.8° | 179.9° |
H14 | C27 | C26 | H37 | 61.2° | 60.0° |
H15 | C27 | C26 | H37 | 178.8° | 60.0° |
H16 | N11 | C03 | H18 | 179.6° | 146.7° |
H17 | C01 | C03 | H18 | 68.1° | 65.0° |
H17 | C01 | O02 | H34 | 60.4° | 180.0° |
H17 | C01 | SG | O2 | 38.6° | 60.0° |
H17 | C01 | SG | O1 | 50.7° | 51.6° |
H17 | C01 | SG | O3 | 38.6° | 171.6° |
H18 | C03 | C04 | H19 | 59.1° | 175.3° |
H18 | C03 | C04 | H20 | 177.9° | 64.6° |
H19 | C04 | C05 | H21 | 171.7° | 63.6° |
H20 | C04 | C05 | H21 | 69.6° | 176.4° |
H21 | C05 | C09 | H24 | 144.5° | 147.9° |
H21 | C05 | C09 | H25 | 23.6° | 24.1° |
H22 | C08 | C09 | H24 | 143.1° | 26.3° |
H22 | C08 | C09 | H25 | 22.3° | 97.4° |
H22 | C08 | N07 | H32 | 74.6° | 44.0° |
H23 | C08 | C09 | H24 | 21.7° | 148.1° |
H23 | C08 | C09 | H25 | 99.1° | 24.4° |
H23 | C08 | N07 | H32 | 46.8° | 77.9° |
H26 | C13 | C14 | H27 | 179.9° | 170.2° |
H26 | C13 | C14 | H28 | 61.3° | 69.7° |
H26 | C13 | N18 | H33 | 125.2° | 148.9° |
H31 | C23 | C25 | H36 | 160.2° | 149.3° |
O2 | SG | O1 | O3 | 0.0° | 116.7° |
O1 | SG | O2 | H35 | 90.0° | 63.9° |
O3 | SG | O2 | H35 | 90.0° | 63.9° |
H36 | C25 | C26 | H37 | 175.2° | 60.0° |