PRD_000422
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | C2 | sing | 1.51Å | 1.51Å | |
C2 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
N1 | C3 | sing | 1.46Å | 1.46Å | |
N1 | H4 | sing | 0.97Å | 1.00Å | |
C3 | C4 | sing | 1.51Å | 1.53Å | |
C3 | C5 | sing | 1.53Å | 1.53Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | O2 | doub | 1.21Å | 1.25Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | O3 | doub | 1.21Å | 1.25Å | |
C6 | O4 | sing | 1.34Å | 1.26Å | |
O4 | H8 | sing | 0.97Å | 0.95Å | |
N2 | C7 | sing | 1.47Å | 1.46Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
C7 | C8 | sing | 1.51Å | 1.53Å | |
C7 | C9 | sing | 1.53Å | 1.54Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C8 | O5 | doub | 1.21Å | 1.24Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.51Å | 1.52Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | O6 | doub | 1.21Å | 1.25Å | |
C11 | O7 | sing | 1.34Å | 1.26Å | |
O7 | H15 | sing | 0.97Å | 0.95Å | |
N3 | C12 | sing | 1.47Å | 1.48Å | |
N3 | H16 | sing | 0.97Å | 1.00Å | |
C12 | C13 | sing | 1.51Å | 1.52Å | |
C12 | C14 | sing | 1.53Å | 1.54Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C13 | O8 | doub | 1.21Å | 1.23Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C14 | C16 | sing | 1.53Å | 1.52Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C15 | H19 | sing | 1.09Å | 1.10Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C15 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C16 | H23 | sing | 1.09Å | 1.10Å | |
C16 | H24 | sing | 1.09Å | 1.10Å | |
C17 | O9 | sing | 1.43Å | 1.41Å | |
C17 | C18 | sing | 1.53Å | 1.52Å | |
C17 | H25 | sing | 1.09Å | 1.10Å | |
C17 | H26 | sing | 1.09Å | 1.10Å | |
C18 | N4 | sing | 1.47Å | 1.45Å | |
N4 | H27 | sing | 0.97Å | 1.00Å | |
O9 | H28 | sing | 0.97Å | 0.95Å | |
C19 | C18 | sing | 1.53Å | 1.54Å | |
C18 | H29 | sing | 1.09Å | 1.10Å | |
C19 | C20 | sing | 1.51Å | 1.52Å | |
C19 | H30 | sing | 1.09Å | 1.10Å | |
C19 | H31 | sing | 1.09Å | 1.10Å | |
C20 | O11 | doub | 1.21Å | 1.26Å | |
C20 | O10 | sing | 1.34Å | 1.25Å | |
O10 | H32 | sing | 0.97Å | 0.95Å | |
C1 | N1 | sing | 1.35Å | 1.33Å | |
N4 | C13 | sing | 1.35Å | 1.34Å | |
C4 | N2 | sing | 1.35Å | 1.34Å | |
C8 | N3 | sing | 1.35Å | 1.33Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 121.4° | 120.0° |
O1 | C1 | N1 | 123.1° | 120.0° |
C1 | C2 | H1 | 109.5° | 109.5° |
C1 | C2 | H2 | 109.4° | 109.4° |
C1 | C2 | H3 | 109.5° | 109.5° |
C2 | C1 | N1 | 115.6° | 120.0° |
H1 | C2 | H2 | 109.4° | 109.5° |
H1 | C2 | H3 | 109.4° | 109.5° |
H2 | C2 | H3 | 109.5° | 109.5° |
C3 | N1 | H4 | 119.5° | 120.0° |
N1 | C3 | C4 | 110.6° | 109.5° |
N1 | C3 | C5 | 110.3° | 109.5° |
N1 | C3 | H5 | 109.0° | 109.5° |
C3 | N1 | C1 | 121.0° | 120.0° |
H4 | N1 | C1 | 119.5° | 120.0° |
C4 | C3 | C5 | 110.5° | 109.5° |
C4 | C3 | H5 | 108.2° | 109.5° |
C3 | C4 | O2 | 119.7° | 120.0° |
C3 | C4 | N2 | 117.0° | 120.0° |
C5 | C3 | H5 | 108.1° | 109.4° |
C3 | C5 | C6 | 115.8° | 109.5° |
C3 | C5 | H6 | 107.9° | 109.4° |
C3 | C5 | H7 | 107.8° | 109.5° |
O2 | C4 | N2 | 123.3° | 120.0° |
C6 | C5 | H6 | 107.8° | 109.5° |
C6 | C5 | H7 | 107.9° | 109.5° |
C5 | C6 | O3 | 120.8° | 120.0° |
C5 | C6 | O4 | 118.2° | 120.0° |
H6 | C5 | H7 | 109.5° | 109.5° |
O3 | C6 | O4 | 120.9° | 120.0° |
C6 | O4 | H8 | 109.5° | 117.0° |
C7 | N2 | H9 | 118.9° | 120.0° |
N2 | C7 | C8 | 110.9° | 109.4° |
N2 | C7 | C9 | 110.2° | 109.5° |
N2 | C7 | H10 | 109.9° | 109.5° |
C7 | N2 | C4 | 122.2° | 120.0° |
H9 | N2 | C4 | 118.9° | 120.0° |
C8 | C7 | C9 | 108.0° | 109.5° |
C8 | C7 | H10 | 109.0° | 109.5° |
C7 | C8 | O5 | 115.3° | 120.0° |
C7 | C8 | N3 | 121.2° | 119.9° |
C9 | C7 | H10 | 108.9° | 109.5° |
C7 | C9 | C10 | 114.1° | 109.5° |
C7 | C9 | H11 | 108.3° | 109.5° |
C7 | C9 | H12 | 108.3° | 109.5° |
O5 | C8 | N3 | 123.4° | 120.0° |
C10 | C9 | H11 | 108.3° | 109.5° |
C10 | C9 | H12 | 108.3° | 109.5° |
C9 | C10 | C11 | 113.4° | 109.5° |
C9 | C10 | H13 | 108.5° | 109.5° |
C9 | C10 | H14 | 108.5° | 109.5° |
H11 | C9 | H12 | 109.4° | 109.4° |
C11 | C10 | H13 | 108.5° | 109.5° |
C11 | C10 | H14 | 108.4° | 109.5° |
C10 | C11 | O6 | 121.2° | 120.0° |
C10 | C11 | O7 | 118.9° | 120.0° |
H13 | C10 | H14 | 109.5° | 109.4° |
O6 | C11 | O7 | 119.9° | 120.0° |
C11 | O7 | H15 | 109.5° | 117.0° |
C12 | N3 | H16 | 121.4° | 120.0° |
N3 | C12 | C13 | 114.8° | 109.4° |
N3 | C12 | C14 | 109.9° | 109.5° |
N3 | C12 | H17 | 107.8° | 109.4° |
C12 | N3 | C8 | 117.1° | 120.0° |
H16 | N3 | C8 | 121.4° | 120.0° |
C13 | C12 | C14 | 109.7° | 109.5° |
C13 | C12 | H17 | 107.3° | 109.5° |
C12 | C13 | O8 | 122.6° | 120.1° |
C12 | C13 | N4 | 117.4° | 120.0° |
C14 | C12 | H17 | 107.1° | 109.5° |
C12 | C14 | C15 | 110.7° | 109.5° |
C12 | C14 | C16 | 113.0° | 109.5° |
C12 | C14 | H18 | 107.8° | 109.5° |
O8 | C13 | N4 | 120.0° | 119.9° |
C15 | C14 | C16 | 109.2° | 109.5° |
C15 | C14 | H18 | 107.9° | 109.5° |
C14 | C15 | H19 | 109.5° | 109.5° |
C14 | C15 | H20 | 109.5° | 109.4° |
C14 | C15 | H21 | 109.5° | 109.5° |
C16 | C14 | H18 | 108.0° | 109.5° |
C14 | C16 | H22 | 109.5° | 109.5° |
C14 | C16 | H23 | 109.4° | 109.5° |
C14 | C16 | H24 | 109.4° | 109.4° |
H19 | C15 | H20 | 109.5° | 109.5° |
H19 | C15 | H21 | 109.5° | 109.5° |
H20 | C15 | H21 | 109.5° | 109.5° |
H22 | C16 | H23 | 109.5° | 109.5° |
H22 | C16 | H24 | 109.5° | 109.5° |
H23 | C16 | H24 | 109.5° | 109.5° |
O9 | C17 | C18 | 118.7° | 109.4° |
O9 | C17 | H25 | 107.1° | 109.5° |
O9 | C17 | H26 | 107.1° | 109.5° |
C17 | O9 | H28 | 109.5° | 113.9° |
C18 | C17 | H25 | 107.1° | 109.5° |
C18 | C17 | H26 | 107.1° | 109.4° |
C17 | C18 | N4 | 113.3° | 109.5° |
C17 | C18 | C19 | 111.6° | 109.5° |
C17 | C18 | H29 | 107.3° | 109.5° |
H25 | C17 | H26 | 109.5° | 109.5° |
C18 | N4 | H27 | 115.7° | 119.9° |
N4 | C18 | C19 | 109.0° | 109.5° |
N4 | C18 | H29 | 108.2° | 109.4° |
C18 | N4 | C13 | 128.6° | 120.0° |
H27 | N4 | C13 | 115.7° | 120.0° |
C19 | C18 | H29 | 107.1° | 109.5° |
C18 | C19 | C20 | 114.7° | 109.5° |
C18 | C19 | H30 | 108.1° | 109.5° |
C18 | C19 | H31 | 108.1° | 109.4° |
C20 | C19 | H30 | 108.2° | 109.5° |
C20 | C19 | H31 | 108.1° | 109.5° |
C19 | C20 | O11 | 122.0° | 120.0° |
C19 | C20 | O10 | 118.2° | 120.0° |
H30 | C19 | H31 | 109.5° | 109.5° |
O11 | C20 | O10 | 117.7° | 120.0° |
C20 | O10 | H32 | 109.5° | 116.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | N1 | 179.5° | 179.6° |
O1 | C1 | C2 | H1 | 0.0° | 90.0° |
O1 | C1 | C2 | H2 | 120.0° | 150.0° |
O1 | C1 | C2 | H3 | 120.0° | 30.1° |
O1 | C1 | N1 | C3 | 3.9° | 4.9° |
O1 | C1 | N1 | H4 | 176.0° | 175.2° |
C1 | C2 | H1 | H2 | 120.0° | 120.0° |
C1 | C2 | H1 | H3 | 120.0° | 120.0° |
C1 | C2 | H2 | H3 | 120.0° | 120.0° |
C2 | C1 | N1 | C3 | 176.5° | 174.8° |
C2 | C1 | N1 | H4 | 3.5° | 5.2° |
H1 | C2 | H2 | H3 | 120.0° | 120.0° |
H1 | C2 | C1 | N1 | 179.5° | 89.7° |
H2 | C2 | C1 | N1 | 59.5° | 30.3° |
H3 | C2 | C1 | N1 | 60.5° | 150.3° |
C3 | N1 | H4 | C1 | 180.0° | 180.0° |
N1 | C3 | C4 | C5 | 122.5° | 120.0° |
N1 | C3 | C4 | H5 | 119.3° | 120.1° |
N1 | C3 | C5 | H5 | 119.2° | 120.0° |
N1 | C3 | C4 | O2 | 47.5° | 0.1° |
N1 | C3 | C5 | C6 | 66.0° | 65.6° |
N1 | C3 | C5 | H6 | 54.9° | 54.4° |
N1 | C3 | C5 | H7 | 173.0° | 174.4° |
N1 | C3 | C4 | N2 | 133.4° | 180.0° |
H4 | N1 | C3 | C4 | 104.3° | 98.3° |
H4 | N1 | C3 | C5 | 18.2° | 21.7° |
H4 | N1 | C3 | H5 | 136.9° | 141.7° |
C4 | C3 | C5 | H5 | 118.2° | 120.0° |
C3 | C4 | O2 | N2 | 179.1° | 179.9° |
C4 | C3 | C5 | C6 | 171.3° | 174.4° |
C4 | C3 | C5 | H6 | 67.8° | 65.7° |
C4 | C3 | C5 | H7 | 50.4° | 54.3° |
C3 | C4 | N2 | C7 | 179.3° | 180.0° |
C3 | C4 | N2 | H9 | 0.6° | 0.0° |
C4 | C3 | N1 | C1 | 75.6° | 81.7° |
C5 | C3 | C4 | O2 | 75.0° | 120.1° |
C3 | C5 | C6 | H6 | 120.9° | 119.9° |
C3 | C5 | C6 | H7 | 120.9° | 120.0° |
C3 | C5 | H6 | H7 | 117.1° | 120.0° |
C3 | C5 | C6 | O3 | 40.8° | 5.6° |
C3 | C5 | C6 | O4 | 141.2° | 174.4° |
C5 | C3 | N1 | C1 | 161.8° | 158.3° |
C5 | C3 | C4 | N2 | 104.2° | 60.0° |
H5 | C3 | C4 | O2 | 166.8° | 120.0° |
H5 | C3 | C5 | C6 | 53.1° | 54.4° |
H5 | C3 | C5 | H6 | 174.0° | 174.4° |
H5 | C3 | C5 | H7 | 67.8° | 65.6° |
H5 | C3 | N1 | C1 | 43.2° | 38.3° |
H5 | C3 | C4 | N2 | 14.0° | 60.0° |
O2 | C4 | N2 | C7 | 1.6° | 0.0° |
O2 | C4 | N2 | H9 | 178.5° | 179.9° |
C6 | C5 | H6 | H7 | 117.1° | 120.0° |
C5 | C6 | O3 | O4 | 178.0° | 180.0° |
C5 | C6 | O4 | H8 | 178.0° | 179.9° |
H6 | C5 | C6 | O3 | 161.7° | 125.6° |
H6 | C5 | C6 | O4 | 20.3° | 54.5° |
H7 | C5 | C6 | O3 | 80.1° | 114.4° |
H7 | C5 | C6 | O4 | 97.9° | 65.6° |
O3 | C6 | O4 | H8 | 0.0° | 0.0° |
C7 | N2 | H9 | C4 | 180.0° | 180.0° |
N2 | C7 | C8 | C9 | 120.8° | 120.0° |
N2 | C7 | C8 | H10 | 121.1° | 120.0° |
N2 | C7 | C9 | H10 | 120.5° | 120.0° |
N2 | C7 | C8 | O5 | 23.0° | 0.0° |
N2 | C7 | C9 | C10 | 52.4° | 65.0° |
N2 | C7 | C9 | H11 | 68.3° | 55.0° |
N2 | C7 | C9 | H12 | 173.1° | 175.0° |
N2 | C7 | C8 | N3 | 160.1° | 180.0° |
H9 | N2 | C7 | C8 | 41.1° | 25.0° |
H9 | N2 | C7 | C9 | 78.4° | 95.0° |
H9 | N2 | C7 | H10 | 161.7° | 145.0° |
C8 | C7 | C9 | H10 | 118.3° | 120.1° |
C7 | C8 | O5 | N3 | 176.8° | 180.0° |
C8 | C7 | C9 | C10 | 173.6° | 175.1° |
C8 | C7 | C9 | H11 | 53.0° | 64.9° |
C8 | C7 | C9 | H12 | 65.7° | 55.0° |
C7 | C8 | N3 | C12 | 177.4° | 180.0° |
C7 | C8 | N3 | H16 | 2.5° | 0.0° |
C8 | C7 | N2 | C4 | 138.9° | 155.0° |
C9 | C7 | C8 | O5 | 97.8° | 120.0° |
C7 | C9 | C10 | H11 | 120.7° | 120.0° |
C7 | C9 | C10 | H12 | 120.7° | 120.0° |
C7 | C9 | H11 | H12 | 117.9° | 120.0° |
C7 | C9 | C10 | C11 | 172.5° | 180.0° |
C7 | C9 | C10 | H13 | 51.9° | 60.0° |
C7 | C9 | C10 | H14 | 67.0° | 60.0° |
C9 | C7 | N2 | C4 | 101.6° | 85.0° |
C9 | C7 | C8 | N3 | 79.1° | 60.0° |
H10 | C7 | C8 | O5 | 144.0° | 119.9° |
H10 | C7 | C9 | C10 | 68.1° | 55.0° |
H10 | C7 | C9 | H11 | 171.2° | 175.0° |
H10 | C7 | C9 | H12 | 52.6° | 65.1° |
H10 | C7 | N2 | C4 | 18.3° | 35.0° |
H10 | C7 | C8 | N3 | 39.1° | 60.0° |
O5 | C8 | N3 | C12 | 0.8° | 0.0° |
O5 | C8 | N3 | H16 | 179.2° | 180.0° |
C10 | C9 | H11 | H12 | 117.9° | 120.0° |
C9 | C10 | C11 | H13 | 120.6° | 120.0° |
C9 | C10 | C11 | H14 | 120.6° | 120.1° |
C9 | C10 | H13 | H14 | 118.2° | 120.0° |
C9 | C10 | C11 | O6 | 26.9° | 0.1° |
C9 | C10 | C11 | O7 | 153.0° | 180.0° |
H11 | C9 | C10 | C11 | 66.8° | 60.0° |
H11 | C9 | C10 | H13 | 172.6° | 180.0° |
H11 | C9 | C10 | H14 | 53.7° | 60.1° |
H12 | C9 | C10 | C11 | 51.8° | 59.9° |
H12 | C9 | C10 | H13 | 68.8° | 60.1° |
H12 | C9 | C10 | H14 | 172.3° | 180.0° |
C11 | C10 | H13 | H14 | 118.2° | 120.0° |
C10 | C11 | O6 | O7 | 179.9° | 180.0° |
C10 | C11 | O7 | H15 | 179.9° | 180.0° |
H13 | C10 | C11 | O6 | 147.5° | 120.0° |
H13 | C10 | C11 | O7 | 32.4° | 60.0° |
H14 | C10 | C11 | O6 | 93.7° | 120.0° |
H14 | C10 | C11 | O7 | 86.4° | 60.0° |
O6 | C11 | O7 | H15 | 0.0° | 0.0° |
C12 | N3 | H16 | C8 | 180.0° | 180.0° |
N3 | C12 | C13 | C14 | 124.3° | 120.0° |
N3 | C12 | C13 | H17 | 119.8° | 120.0° |
N3 | C12 | C14 | H17 | 116.8° | 120.0° |
N3 | C12 | C13 | O8 | 30.1° | 0.0° |
N3 | C12 | C14 | C15 | 65.2° | 60.0° |
N3 | C12 | C14 | C16 | 57.7° | 60.0° |
N3 | C12 | C14 | H18 | 177.0° | 180.0° |
N3 | C12 | C13 | N4 | 150.9° | 180.0° |
H16 | N3 | C12 | C13 | 73.8° | 25.0° |
H16 | N3 | C12 | C14 | 50.4° | 95.0° |
H16 | N3 | C12 | H17 | 166.7° | 145.0° |
C13 | C12 | C14 | H17 | 116.1° | 120.1° |
C12 | C13 | O8 | N4 | 179.0° | 180.0° |
C13 | C12 | C14 | C15 | 167.7° | 180.0° |
C13 | C12 | C14 | C16 | 69.4° | 60.0° |
C13 | C12 | C14 | H18 | 49.9° | 60.0° |
C12 | C13 | N4 | C18 | 174.8° | 180.0° |
C12 | C13 | N4 | H27 | 5.1° | 0.0° |
C13 | C12 | N3 | C8 | 106.2° | 155.0° |
C14 | C12 | C13 | O8 | 94.1° | 120.0° |
C12 | C14 | C15 | C16 | 125.1° | 120.0° |
C12 | C14 | C15 | H18 | 117.7° | 120.0° |
C12 | C14 | C16 | H18 | 119.1° | 120.0° |
C12 | C14 | C15 | H19 | 180.0° | 60.0° |
C12 | C14 | C15 | H20 | 60.0° | 180.0° |
C12 | C14 | C15 | H21 | 60.0° | 60.0° |
C12 | C14 | C16 | H22 | 180.0° | 60.0° |
C12 | C14 | C16 | H23 | 60.0° | 180.0° |
C12 | C14 | C16 | H24 | 60.0° | 60.0° |
C14 | C12 | C13 | N4 | 84.8° | 60.0° |
C14 | C12 | N3 | C8 | 129.6° | 85.0° |
H17 | C12 | C13 | O8 | 149.9° | 120.0° |
H17 | C12 | C14 | C15 | 51.6° | 60.0° |
H17 | C12 | C14 | C16 | 174.5° | 180.0° |
H17 | C12 | C14 | H18 | 66.2° | 60.0° |
H17 | C12 | C13 | N4 | 31.1° | 60.1° |
H17 | C12 | N3 | C8 | 13.3° | 35.0° |
O8 | C13 | N4 | C18 | 4.2° | 0.0° |
O8 | C13 | N4 | H27 | 175.8° | 180.0° |
C15 | C14 | C16 | H18 | 117.1° | 120.0° |
C14 | C15 | H19 | H20 | 120.0° | 120.0° |
C14 | C15 | H19 | H21 | 120.0° | 120.0° |
C14 | C15 | H20 | H21 | 120.0° | 120.0° |
C15 | C14 | C16 | H22 | 56.3° | 179.9° |
C15 | C14 | C16 | H23 | 63.8° | 60.0° |
C15 | C14 | C16 | H24 | 176.3° | 60.0° |
C16 | C14 | C15 | H19 | 54.9° | 60.0° |
C16 | C14 | C15 | H20 | 174.9° | 60.0° |
C16 | C14 | C15 | H21 | 65.1° | 180.0° |
C14 | C16 | H22 | H23 | 120.0° | 120.0° |
C14 | C16 | H22 | H24 | 120.0° | 119.9° |
C14 | C16 | H23 | H24 | 119.9° | 119.9° |
H18 | C14 | C15 | H19 | 62.3° | 180.0° |
H18 | C14 | C15 | H20 | 57.7° | 60.0° |
H18 | C14 | C15 | H21 | 177.7° | 59.9° |
H18 | C14 | C16 | H22 | 60.9° | 60.0° |
H18 | C14 | C16 | H23 | 179.1° | 60.0° |
H18 | C14 | C16 | H24 | 59.1° | 180.0° |
H19 | C15 | H20 | H21 | 120.0° | 120.0° |
H22 | C16 | H23 | H24 | 120.0° | 120.0° |
O9 | C17 | C18 | H25 | 121.3° | 120.0° |
O9 | C17 | C18 | H26 | 121.3° | 120.0° |
O9 | C17 | H25 | H26 | 115.8° | 120.1° |
O9 | C17 | C18 | N4 | 178.6° | 65.0° |
O9 | C17 | C18 | C19 | 57.9° | 55.0° |
O9 | C17 | C18 | H29 | 59.3° | 175.1° |
C18 | C17 | H25 | H26 | 115.8° | 120.0° |
C17 | C18 | N4 | C19 | 125.0° | 120.0° |
C17 | C18 | N4 | H29 | 118.8° | 120.0° |
C17 | C18 | N4 | H27 | 86.1° | 95.0° |
C18 | C17 | O9 | H28 | 180.0° | 179.9° |
C17 | C18 | C19 | H29 | 117.2° | 120.0° |
C17 | C18 | C19 | C20 | 150.5° | 175.0° |
C17 | C18 | C19 | H30 | 88.8° | 65.0° |
C17 | C18 | C19 | H31 | 29.7° | 55.0° |
C17 | C18 | N4 | C13 | 93.9° | 85.0° |
H25 | C17 | C18 | N4 | 57.3° | 175.0° |
H25 | C17 | O9 | H28 | 58.7° | 59.9° |
H25 | C17 | C18 | C19 | 179.2° | 65.0° |
H25 | C17 | C18 | H29 | 62.1° | 55.1° |
H26 | C17 | C18 | N4 | 60.1° | 55.0° |
H26 | C17 | O9 | H28 | 58.7° | 60.2° |
H26 | C17 | C18 | C19 | 63.4° | 175.0° |
H26 | C17 | C18 | H29 | 179.4° | 65.0° |
C18 | N4 | H27 | C13 | 180.0° | 180.0° |
N4 | C18 | C19 | H29 | 116.9° | 119.9° |
N4 | C18 | C19 | C20 | 83.6° | 65.0° |
N4 | C18 | C19 | H30 | 37.2° | 55.0° |
N4 | C18 | C19 | H31 | 155.6° | 175.0° |
H27 | N4 | C18 | C19 | 38.8° | 25.0° |
H27 | N4 | C18 | H29 | 155.0° | 145.1° |
C18 | C19 | C20 | H30 | 120.8° | 120.0° |
C18 | C19 | C20 | H31 | 120.8° | 120.0° |
C18 | C19 | H30 | H31 | 117.6° | 120.0° |
C18 | C19 | C20 | O11 | 167.5° | 0.0° |
C18 | C19 | C20 | O10 | 29.4° | 180.0° |
C19 | C18 | N4 | C13 | 141.2° | 155.0° |
H29 | C18 | C19 | C20 | 33.2° | 55.0° |
H29 | C18 | C19 | H30 | 154.0° | 175.0° |
H29 | C18 | C19 | H31 | 87.5° | 65.0° |
H29 | C18 | N4 | C13 | 25.0° | 35.0° |
C20 | C19 | H30 | H31 | 117.6° | 120.0° |
C19 | C20 | O11 | O10 | 163.2° | 180.0° |
C19 | C20 | O10 | H32 | 163.8° | 180.0° |
H30 | C19 | C20 | O11 | 46.7° | 120.0° |
H30 | C19 | C20 | O10 | 150.2° | 60.0° |
H31 | C19 | C20 | O11 | 71.7° | 120.0° |
H31 | C19 | C20 | O10 | 91.4° | 60.0° |
O11 | C20 | O10 | H32 | 0.0° | 0.0° |