PRD_001032
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.50Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | N1 | sing | 1.47Å | 1.46Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
N1 | C4 | sing | 1.35Å | 1.33Å | |
N1 | HN11 | sing | 0.97Å | 1.00Å | |
C4 | O1 | doub | 1.21Å | 1.23Å | |
C4 | C5 | sing | 1.51Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.59Å | |
C5 | O2 | sing | 1.43Å | 1.44Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.51Å | 1.52Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O2 | HO21 | sing | 0.97Å | 0.95Å | |
C7 | O3 | doub | 1.21Å | 1.24Å | |
C7 | N2 | sing | 1.35Å | 1.35Å | |
N2 | C8 | sing | 1.46Å | 1.46Å | |
N2 | HN21 | sing | 0.97Å | 1.00Å | |
C8 | C9 | sing | 1.53Å | 1.57Å | |
C8 | C13 | sing | 1.51Å | 1.52Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C9 | C11 | sing | 1.53Å | 1.53Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.54Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H123 | sing | 1.09Å | 1.10Å | |
C13 | O4 | doub | 1.21Å | 1.24Å | |
C13 | N3 | sing | 1.35Å | 1.34Å | |
N3 | C14 | sing | 1.47Å | 1.48Å | |
N3 | C17 | sing | 1.47Å | 1.45Å | |
C14 | C15 | sing | 1.55Å | 1.51Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.55Å | 1.52Å | |
C15 | H151 | sing | 1.09Å | 1.10Å | |
C15 | H152 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.54Å | 1.53Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.51Å | 1.55Å | |
C17 | H171 | sing | 1.09Å | 1.10Å | |
C18 | O | doub | 1.21Å | 1.24Å | |
C18 | OT | sing | 1.34Å | 1.23Å | |
OT | HXT | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 109.5° | 109.5° |
C2 | C1 | H12 | 109.5° | 109.5° |
C2 | C1 | H13 | 109.5° | 109.5° |
C1 | C2 | C3 | 106.9° | 109.5° |
C1 | C2 | H21 | 110.3° | 109.5° |
C1 | C2 | H22 | 110.3° | 109.5° |
H11 | C1 | H12 | 109.5° | 109.4° |
H11 | C1 | H13 | 109.4° | 109.5° |
H12 | C1 | H13 | 109.5° | 109.5° |
C3 | C2 | H21 | 110.3° | 109.4° |
C3 | C2 | H22 | 110.3° | 109.5° |
C2 | C3 | N1 | 112.2° | 109.5° |
C2 | C3 | H31 | 108.6° | 109.4° |
C2 | C3 | H32 | 108.6° | 109.5° |
H21 | C2 | H22 | 108.6° | 109.5° |
N1 | C3 | H31 | 108.6° | 109.5° |
N1 | C3 | H32 | 108.6° | 109.5° |
C3 | N1 | C4 | 121.5° | 120.0° |
C3 | N1 | HN11 | 119.2° | 120.0° |
H31 | C3 | H32 | 110.3° | 109.5° |
C4 | N1 | HN11 | 119.2° | 120.0° |
N1 | C4 | O1 | 122.3° | 120.0° |
N1 | C4 | C5 | 119.1° | 119.9° |
O1 | C4 | C5 | 118.5° | 120.0° |
C4 | C5 | C6 | 108.3° | 109.5° |
C4 | C5 | O2 | 117.8° | 109.4° |
C4 | C5 | H51 | 104.5° | 109.5° |
C6 | C5 | O2 | 109.5° | 109.5° |
C6 | C5 | H51 | 113.6° | 109.4° |
C5 | C6 | C7 | 109.5° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
O2 | C5 | H51 | 103.2° | 109.5° |
C5 | O2 | HO21 | 109.5° | 114.0° |
C7 | C6 | H61 | 109.5° | 109.5° |
C7 | C6 | H62 | 109.5° | 109.5° |
C6 | C7 | O3 | 120.7° | 120.0° |
C6 | C7 | N2 | 111.6° | 120.0° |
H61 | C6 | H62 | 109.5° | 109.4° |
O3 | C7 | N2 | 127.6° | 120.0° |
C7 | N2 | C8 | 125.4° | 120.0° |
C7 | N2 | HN21 | 117.3° | 120.0° |
C8 | N2 | HN21 | 117.3° | 120.0° |
N2 | C8 | C9 | 113.1° | 109.5° |
N2 | C8 | C13 | 117.2° | 109.5° |
N2 | C8 | H81 | 99.8° | 109.4° |
C9 | C8 | C13 | 104.7° | 109.5° |
C9 | C8 | H81 | 113.4° | 109.5° |
C8 | C9 | C10 | 106.4° | 109.5° |
C8 | C9 | C11 | 113.4° | 109.4° |
C8 | C9 | H91 | 109.4° | 109.4° |
C13 | C8 | H81 | 108.9° | 109.4° |
C8 | C13 | O4 | 121.7° | 120.0° |
C8 | C13 | N3 | 115.3° | 120.0° |
C10 | C9 | C11 | 110.9° | 109.5° |
C10 | C9 | H91 | 112.0° | 109.5° |
C9 | C10 | H101 | 109.5° | 109.4° |
C9 | C10 | H102 | 109.5° | 109.5° |
C9 | C10 | H103 | 109.5° | 109.5° |
C11 | C9 | H91 | 104.9° | 109.5° |
C9 | C11 | C12 | 111.6° | 109.5° |
C9 | C11 | H111 | 108.8° | 109.5° |
C9 | C11 | H112 | 108.8° | 109.5° |
H101 | C10 | H102 | 109.5° | 109.5° |
H101 | C10 | H103 | 109.5° | 109.5° |
H102 | C10 | H103 | 109.5° | 109.5° |
C12 | C11 | H111 | 108.8° | 109.4° |
C12 | C11 | H112 | 108.8° | 109.5° |
C11 | C12 | H121 | 109.5° | 109.5° |
C11 | C12 | H122 | 109.4° | 109.4° |
C11 | C12 | H123 | 109.5° | 109.5° |
H111 | C11 | H112 | 110.2° | 109.5° |
H121 | C12 | H122 | 109.5° | 109.5° |
H121 | C12 | H123 | 109.4° | 109.5° |
H122 | C12 | H123 | 109.5° | 109.4° |
O4 | C13 | N3 | 122.9° | 120.1° |
C13 | N3 | C14 | 124.6° | 125.7° |
C13 | N3 | C17 | 122.2° | 125.6° |
C14 | N3 | C17 | 112.4° | 108.7° |
N3 | C14 | C15 | 105.5° | 104.9° |
N3 | C14 | H141 | 110.8° | 110.4° |
N3 | C14 | H142 | 110.8° | 110.4° |
N3 | C17 | C16 | 100.6° | 107.3° |
N3 | C17 | C18 | 110.9° | 109.9° |
N3 | C17 | H171 | 117.3° | 109.9° |
C15 | C14 | H141 | 110.8° | 110.3° |
C15 | C14 | H142 | 110.8° | 110.3° |
C14 | C15 | C16 | 101.2° | 101.6° |
C14 | C15 | H151 | 112.3° | 111.0° |
C14 | C15 | H152 | 112.3° | 111.1° |
H141 | C14 | H142 | 108.1° | 110.4° |
C16 | C15 | H151 | 112.3° | 111.0° |
C16 | C15 | H152 | 112.3° | 111.0° |
C15 | C16 | C17 | 106.5° | 103.0° |
C15 | C16 | H161 | 110.5° | 110.7° |
C15 | C16 | H162 | 110.5° | 110.7° |
H151 | C15 | H152 | 106.5° | 110.9° |
C17 | C16 | H161 | 110.5° | 110.9° |
C17 | C16 | H162 | 110.5° | 110.6° |
C16 | C17 | C18 | 117.2° | 110.0° |
C16 | C17 | H171 | 111.0° | 109.8° |
H161 | C16 | H162 | 108.4° | 110.8° |
C18 | C17 | H171 | 100.7° | 110.0° |
C17 | C18 | O | 120.4° | 120.0° |
C17 | C18 | OT | 119.4° | 120.0° |
O | C18 | OT | 119.9° | 120.0° |
C18 | OT | HXT | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 120.0° | 120.0° |
C2 | C1 | H11 | H13 | 120.0° | 120.1° |
C2 | C1 | H12 | H13 | 120.0° | 120.1° |
C1 | C2 | C3 | H21 | 120.0° | 120.0° |
C1 | C2 | C3 | H22 | 120.0° | 120.0° |
C1 | C2 | H21 | H22 | 121.0° | 120.0° |
C1 | C2 | C3 | N1 | 159.9° | 180.0° |
C1 | C2 | C3 | H31 | 80.1° | 60.0° |
C1 | C2 | C3 | H32 | 39.8° | 60.0° |
H11 | C1 | H12 | H13 | 120.0° | 119.9° |
H11 | C1 | C2 | C3 | 180.0° | 59.9° |
H11 | C1 | C2 | H21 | 60.0° | 60.0° |
H11 | C1 | C2 | H22 | 60.0° | 180.0° |
H12 | C1 | C2 | C3 | 60.0° | 60.0° |
H12 | C1 | C2 | H21 | 60.0° | 180.0° |
H12 | C1 | C2 | H22 | 180.0° | 60.0° |
H13 | C1 | C2 | C3 | 60.0° | 179.9° |
H13 | C1 | C2 | H21 | 180.0° | 60.0° |
H13 | C1 | C2 | H22 | 60.0° | 60.0° |
C3 | C2 | H21 | H22 | 121.0° | 120.0° |
C2 | C3 | N1 | H31 | 120.0° | 120.0° |
C2 | C3 | N1 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H32 | 118.9° | 120.0° |
C2 | C3 | N1 | C4 | 91.3° | 180.0° |
C2 | C3 | N1 | HN11 | 88.7° | 0.0° |
H21 | C2 | C3 | N1 | 39.9° | 60.0° |
H21 | C2 | C3 | H31 | 159.9° | 180.0° |
H21 | C2 | C3 | H32 | 80.2° | 60.0° |
H22 | C2 | C3 | N1 | 80.1° | 60.0° |
H22 | C2 | C3 | H31 | 39.9° | 60.0° |
H22 | C2 | C3 | H32 | 159.9° | 180.0° |
N1 | C3 | H31 | H32 | 118.9° | 120.0° |
C3 | N1 | C4 | HN11 | 180.0° | 180.0° |
C3 | N1 | C4 | O1 | 4.4° | 0.0° |
C3 | N1 | C4 | C5 | 177.6° | 180.0° |
H31 | C3 | N1 | C4 | 28.7° | 60.0° |
H31 | C3 | N1 | HN11 | 151.3° | 119.9° |
H32 | C3 | N1 | C4 | 148.7° | 60.0° |
H32 | C3 | N1 | HN11 | 31.4° | 120.0° |
N1 | C4 | O1 | C5 | 178.1° | 180.0° |
N1 | C4 | C5 | C6 | 80.8° | 65.0° |
N1 | C4 | C5 | O2 | 44.0° | 175.0° |
N1 | C4 | C5 | H51 | 157.8° | 55.0° |
HN11 | N1 | C4 | O1 | 175.6° | 180.0° |
HN11 | N1 | C4 | C5 | 2.5° | 0.0° |
O1 | C4 | C5 | C6 | 97.4° | 115.0° |
O1 | C4 | C5 | O2 | 137.8° | 5.0° |
O1 | C4 | C5 | H51 | 24.1° | 125.0° |
C4 | C5 | C6 | O2 | 129.6° | 120.0° |
C4 | C5 | C6 | H51 | 115.6° | 120.0° |
C4 | C5 | O2 | H51 | 114.5° | 120.0° |
C4 | C5 | C6 | C7 | 172.6° | 175.0° |
C4 | C5 | C6 | H61 | 67.4° | 64.9° |
C4 | C5 | C6 | H62 | 52.6° | 55.0° |
C4 | C5 | O2 | HO21 | 180.0° | 60.0° |
C6 | C5 | O2 | H51 | 121.3° | 120.0° |
C5 | C6 | C7 | H61 | 120.0° | 120.0° |
C5 | C6 | C7 | H62 | 120.0° | 120.1° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C6 | C5 | O2 | HO21 | 55.8° | 60.0° |
C5 | C6 | C7 | O3 | 89.5° | 0.1° |
C5 | C6 | C7 | N2 | 93.0° | 180.0° |
O2 | C5 | C6 | C7 | 57.8° | 65.0° |
O2 | C5 | C6 | H61 | 62.2° | 55.1° |
O2 | C5 | C6 | H62 | 177.8° | 175.0° |
H51 | C5 | C6 | C7 | 57.0° | 55.0° |
H51 | C5 | C6 | H61 | 177.0° | 175.1° |
H51 | C5 | C6 | H62 | 63.0° | 65.0° |
H51 | C5 | O2 | HO21 | 65.5° | 180.0° |
C7 | C6 | H61 | H62 | 120.0° | 120.0° |
C6 | C7 | O3 | N2 | 177.1° | 179.9° |
C6 | C7 | N2 | C8 | 176.7° | 180.0° |
C6 | C7 | N2 | HN21 | 3.3° | 0.1° |
H61 | C6 | C7 | O3 | 150.5° | 120.1° |
H61 | C6 | C7 | N2 | 27.0° | 60.0° |
H62 | C6 | C7 | O3 | 30.5° | 120.0° |
H62 | C6 | C7 | N2 | 147.0° | 59.9° |
O3 | C7 | N2 | C8 | 6.0° | 0.1° |
O3 | C7 | N2 | HN21 | 174.0° | 180.0° |
C7 | N2 | C8 | HN21 | 180.0° | 179.9° |
C7 | N2 | C8 | C9 | 169.6° | 85.0° |
C7 | N2 | C8 | C13 | 47.6° | 155.0° |
C7 | N2 | C8 | H81 | 69.6° | 35.1° |
N2 | C8 | C9 | C13 | 128.7° | 120.0° |
N2 | C8 | C9 | H81 | 112.7° | 120.0° |
N2 | C8 | C13 | H81 | 112.2° | 120.0° |
N2 | C8 | C9 | C10 | 68.5° | 60.0° |
N2 | C8 | C9 | C11 | 53.7° | 60.0° |
N2 | C8 | C9 | H91 | 170.3° | 180.0° |
N2 | C8 | C13 | O4 | 36.6° | 0.0° |
N2 | C8 | C13 | N3 | 142.6° | 180.0° |
HN21 | N2 | C8 | C9 | 10.4° | 95.0° |
HN21 | N2 | C8 | C13 | 132.4° | 25.0° |
HN21 | N2 | C8 | H81 | 110.4° | 145.0° |
C9 | C8 | C13 | H81 | 121.6° | 120.0° |
C8 | C9 | C10 | C11 | 123.7° | 120.0° |
C8 | C9 | C10 | H91 | 119.5° | 120.0° |
C8 | C9 | C11 | H91 | 119.3° | 119.9° |
C8 | C9 | C10 | H101 | 180.0° | 60.0° |
C8 | C9 | C10 | H102 | 60.0° | 60.0° |
C8 | C9 | C10 | H103 | 60.0° | 180.0° |
C8 | C9 | C11 | C12 | 158.2° | 175.0° |
C8 | C9 | C11 | H111 | 81.8° | 65.0° |
C8 | C9 | C11 | H112 | 38.2° | 55.0° |
C9 | C8 | C13 | O4 | 89.6° | 120.0° |
C9 | C8 | C13 | N3 | 91.2° | 60.0° |
C13 | C8 | C9 | C10 | 162.8° | 180.0° |
C13 | C8 | C9 | C11 | 75.0° | 60.0° |
C13 | C8 | C9 | H91 | 41.6° | 60.0° |
C8 | C13 | O4 | N3 | 179.1° | 180.0° |
C8 | C13 | N3 | C14 | 20.9° | 0.0° |
C8 | C13 | N3 | C17 | 170.2° | 179.7° |
H81 | C8 | C9 | C10 | 44.2° | 60.0° |
H81 | C8 | C9 | C11 | 166.4° | 180.0° |
H81 | C8 | C9 | H91 | 77.0° | 60.0° |
H81 | C8 | C13 | O4 | 148.8° | 120.0° |
H81 | C8 | C13 | N3 | 30.4° | 60.0° |
C10 | C9 | C11 | H91 | 121.1° | 120.1° |
C9 | C10 | H101 | H102 | 120.0° | 120.0° |
C9 | C10 | H101 | H103 | 120.0° | 120.0° |
C9 | C10 | H102 | H103 | 120.0° | 120.0° |
C10 | C9 | C11 | C12 | 82.1° | 65.0° |
C10 | C9 | C11 | H111 | 37.9° | 55.0° |
C10 | C9 | C11 | H112 | 157.9° | 175.0° |
C11 | C9 | C10 | H101 | 56.3° | 180.0° |
C11 | C9 | C10 | H102 | 176.3° | 60.0° |
C11 | C9 | C10 | H103 | 63.7° | 60.0° |
C9 | C11 | C12 | H111 | 120.0° | 120.0° |
C9 | C11 | C12 | H112 | 120.0° | 120.0° |
C9 | C11 | H111 | H112 | 119.1° | 120.0° |
C9 | C11 | C12 | H121 | 180.0° | 180.0° |
C9 | C11 | C12 | H122 | 60.0° | 60.0° |
C9 | C11 | C12 | H123 | 60.0° | 59.9° |
H91 | C9 | C10 | H101 | 60.5° | 60.0° |
H91 | C9 | C10 | H102 | 59.5° | 179.9° |
H91 | C9 | C10 | H103 | 179.5° | 60.0° |
H91 | C9 | C11 | C12 | 39.0° | 55.1° |
H91 | C9 | C11 | H111 | 158.9° | 175.0° |
H91 | C9 | C11 | H112 | 81.0° | 64.9° |
H101 | C10 | H102 | H103 | 120.0° | 120.0° |
C12 | C11 | H111 | H112 | 119.1° | 120.0° |
C11 | C12 | H121 | H122 | 120.0° | 120.0° |
C11 | C12 | H121 | H123 | 120.0° | 120.1° |
C11 | C12 | H122 | H123 | 120.0° | 120.0° |
H111 | C11 | C12 | H121 | 60.0° | 60.0° |
H111 | C11 | C12 | H122 | 180.0° | 180.0° |
H111 | C11 | C12 | H123 | 60.0° | 60.1° |
H112 | C11 | C12 | H121 | 60.0° | 60.0° |
H112 | C11 | C12 | H122 | 60.0° | 60.0° |
H112 | C11 | C12 | H123 | 180.0° | 179.9° |
H121 | C12 | H122 | H123 | 119.9° | 120.0° |
O4 | C13 | N3 | C14 | 158.2° | 180.0° |
O4 | C13 | N3 | C17 | 10.6° | 0.2° |
C13 | N3 | C14 | C17 | 169.8° | 179.8° |
C13 | N3 | C14 | C15 | 174.4° | 155.9° |
C13 | N3 | C14 | H141 | 54.4° | 37.1° |
C13 | N3 | C14 | H142 | 65.6° | 85.3° |
C13 | N3 | C17 | C16 | 152.3° | 178.8° |
C13 | N3 | C17 | C18 | 83.0° | 61.7° |
C13 | N3 | C17 | H171 | 31.9° | 59.5° |
N3 | C14 | C15 | H141 | 120.0° | 118.9° |
N3 | C14 | C15 | H142 | 120.0° | 118.9° |
N3 | C14 | H141 | H142 | 121.6° | 122.3° |
N3 | C14 | C15 | C16 | 25.1° | 37.0° |
N3 | C14 | C15 | H151 | 145.1° | 81.1° |
N3 | C14 | C15 | H152 | 94.9° | 155.1° |
C14 | N3 | C17 | C16 | 17.8° | 1.4° |
C14 | N3 | C17 | C18 | 106.9° | 118.1° |
C14 | N3 | C17 | H171 | 138.2° | 120.7° |
C17 | N3 | C14 | C15 | 4.6° | 24.3° |
C17 | N3 | C14 | H141 | 115.5° | 143.1° |
C17 | N3 | C14 | H142 | 124.5° | 94.5° |
N3 | C17 | C16 | C15 | 34.0° | 21.9° |
N3 | C17 | C16 | C18 | 120.3° | 119.4° |
N3 | C17 | C16 | H171 | 124.8° | 119.4° |
N3 | C17 | C16 | H161 | 86.0° | 140.3° |
N3 | C17 | C16 | H162 | 154.0° | 96.5° |
N3 | C17 | C18 | H171 | 124.9° | 121.1° |
N3 | C17 | C18 | O | 1.8° | 0.0° |
N3 | C17 | C18 | OT | 171.9° | 180.0° |
C15 | C14 | H141 | H142 | 121.6° | 122.2° |
C14 | C15 | C16 | H151 | 120.0° | 118.0° |
C14 | C15 | C16 | H152 | 120.0° | 118.1° |
C14 | C15 | H151 | H152 | 123.3° | 123.9° |
C14 | C15 | C16 | C17 | 37.0° | 35.3° |
C14 | C15 | C16 | H161 | 83.0° | 153.8° |
C14 | C15 | C16 | H162 | 157.1° | 82.9° |
H141 | C14 | C15 | C16 | 94.9° | 155.9° |
H141 | C14 | C15 | H151 | 25.1° | 37.8° |
H141 | C14 | C15 | H152 | 145.1° | 86.0° |
H142 | C14 | C15 | C16 | 145.1° | 81.9° |
H142 | C14 | C15 | H151 | 94.9° | 160.1° |
H142 | C14 | C15 | H152 | 25.1° | 36.2° |
C16 | C15 | H151 | H152 | 123.4° | 123.9° |
C15 | C16 | C17 | H161 | 120.0° | 118.4° |
C15 | C16 | C17 | H162 | 120.0° | 118.3° |
C15 | C16 | H161 | H162 | 121.2° | 123.2° |
C15 | C16 | C17 | C18 | 86.3° | 141.3° |
C15 | C16 | C17 | H171 | 158.9° | 97.6° |
H151 | C15 | C16 | C17 | 157.0° | 82.8° |
H151 | C15 | C16 | H161 | 37.0° | 35.8° |
H151 | C15 | C16 | H162 | 82.9° | 159.0° |
H152 | C15 | C16 | C17 | 82.9° | 153.4° |
H152 | C15 | C16 | H161 | 157.1° | 88.0° |
H152 | C15 | C16 | H162 | 37.1° | 35.2° |
C17 | C16 | H161 | H162 | 121.2° | 123.1° |
C16 | C17 | C18 | H171 | 120.4° | 121.0° |
C16 | C17 | C18 | O | 112.9° | 117.9° |
C16 | C17 | C18 | OT | 73.4° | 62.2° |
H161 | C16 | C17 | C18 | 153.7° | 100.2° |
H161 | C16 | C17 | H171 | 38.9° | 20.9° |
H162 | C16 | C17 | C18 | 33.7° | 23.0° |
H162 | C16 | C17 | H171 | 81.1° | 144.1° |
C17 | C18 | O | OT | 173.7° | 180.0° |
C17 | C18 | OT | HXT | 173.8° | 180.0° |
H171 | C17 | C18 | O | 126.6° | 121.1° |
H171 | C17 | C18 | OT | 47.1° | 58.9° |
O | C18 | OT | HXT | 0.0° | 0.0° |