PRD_000317
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 0.00Å | |
C1 | C2 | sing | 1.51Å | 0.00Å | |
C2 | C3 | sing | 1.53Å | 0.00Å | |
C2 | H1 | sing | 1.09Å | 0.00Å | |
C2 | H2 | sing | 1.09Å | 0.00Å | |
C3 | C4 | sing | 1.51Å | 0.00Å | |
C3 | H3 | sing | 1.09Å | 0.00Å | |
C3 | H4 | sing | 1.09Å | 0.00Å | |
C4 | O2 | doub | 1.21Å | 0.00Å | |
C4 | O3 | sing | 1.34Å | 0.00Å | |
O3 | C5 | sing | 1.45Å | 0.00Å | |
C5 | H5 | sing | 1.09Å | 0.00Å | |
C5 | H6 | sing | 1.09Å | 0.00Å | |
C5 | H7 | sing | 1.09Å | 0.00Å | |
N1 | C6 | sing | 1.46Å | 1.43Å | |
N1 | H8 | sing | 0.97Å | 1.00Å | |
C6 | C7 | sing | 1.51Å | 1.52Å | |
C6 | C8 | sing | 1.53Å | 1.54Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | O4 | doub | 1.21Å | 1.23Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C8 | H11 | sing | 1.09Å | 1.10Å | |
C8 | H12 | sing | 1.09Å | 1.10Å | |
N2 | C9 | sing | 1.47Å | 1.46Å | |
N2 | H13 | sing | 0.97Å | 1.00Å | |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C9 | C11 | sing | 1.53Å | 1.51Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C10 | O5 | doub | 1.21Å | 1.24Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å | |
N3 | C12 | sing | 1.47Å | 1.46Å | |
N3 | C16 | sing | 1.47Å | 1.46Å | |
C12 | C13 | sing | 1.51Å | 1.53Å | |
C12 | C14 | sing | 1.54Å | 1.51Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C13 | O6 | doub | 1.21Å | 1.24Å | |
C14 | C15 | sing | 1.55Å | 1.51Å | |
C14 | H19 | sing | 1.09Å | 1.10Å | |
C14 | H20 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.55Å | 1.52Å | |
C15 | H21 | sing | 1.09Å | 1.10Å | |
C15 | H22 | sing | 1.09Å | 1.10Å | |
C16 | H23 | sing | 1.09Å | 1.10Å | |
C16 | H24 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.53Å | |
C17 | N4 | sing | 1.46Å | 1.45Å | |
C17 | B1 | sing | 1.57Å | 1.58Å | |
C17 | H25 | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.53Å | 1.52Å | |
C18 | H26 | sing | 1.09Å | 1.10Å | |
C18 | H27 | sing | 1.09Å | 1.10Å | |
C19 | C20 | sing | 1.53Å | 1.51Å | |
C19 | C21 | sing | 1.53Å | 1.49Å | |
C19 | H28 | sing | 1.09Å | 1.10Å | |
C20 | H29 | sing | 1.09Å | 1.10Å | |
C20 | H30 | sing | 1.09Å | 1.10Å | |
C20 | H31 | sing | 1.09Å | 1.10Å | |
C21 | H32 | sing | 1.09Å | 1.10Å | |
C21 | H33 | sing | 1.09Å | 1.10Å | |
C21 | H34 | sing | 1.09Å | 1.10Å | |
N4 | H35 | sing | 0.97Å | 1.00Å | |
B1 | O7 | sing | 1.42Å | 1.45Å | |
B1 | O8 | sing | 1.42Å | 1.41Å | |
O7 | H36 | sing | 0.97Å | 0.95Å | |
O8 | H37 | sing | 0.97Å | 0.95Å | |
C1 | N1 | sing | 1.35Å | 47.79Å | |
C13 | N4 | sing | 1.35Å | 1.33Å | |
C7 | N2 | sing | 1.35Å | 1.32Å | |
C10 | N3 | sing | 1.35Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 90.0° | 120.0° |
O1 | C1 | N1 | 90.0° | 120.0° |
C1 | C2 | C3 | 90.0° | 109.5° |
C1 | C2 | H1 | 90.0° | 109.5° |
C1 | C2 | H2 | 90.0° | 109.5° |
C2 | C1 | N1 | 90.0° | 120.0° |
C3 | C2 | H1 | 90.0° | 109.5° |
C3 | C2 | H2 | 90.0° | 109.4° |
C2 | C3 | C4 | 90.0° | 109.5° |
C2 | C3 | H3 | 90.0° | 109.5° |
C2 | C3 | H4 | 90.0° | 109.4° |
H1 | C2 | H2 | 90.0° | 109.5° |
C4 | C3 | H3 | 90.0° | 109.5° |
C4 | C3 | H4 | 90.0° | 109.4° |
C3 | C4 | O2 | 90.0° | 120.0° |
C3 | C4 | O3 | 90.0° | 120.1° |
H3 | C3 | H4 | 90.0° | 109.5° |
O2 | C4 | O3 | 90.0° | 119.9° |
C4 | O3 | C5 | 90.0° | 117.1° |
O3 | C5 | H5 | 90.0° | 109.5° |
O3 | C5 | H6 | 90.0° | 109.4° |
O3 | C5 | H7 | 90.0° | 109.4° |
H5 | C5 | H6 | 90.0° | 109.5° |
H5 | C5 | H7 | 90.0° | 109.5° |
H6 | C5 | H7 | 90.0° | 109.5° |
C6 | N1 | H8 | 160.3° | 120.0° |
N1 | C6 | C7 | 106.2° | 109.5° |
N1 | C6 | C8 | 111.5° | 109.5° |
N1 | C6 | H9 | 111.0° | 109.5° |
C6 | N1 | C1 | 39.5° | 120.0° |
H8 | N1 | C1 | 160.2° | 120.0° |
C7 | C6 | C8 | 108.7° | 109.5° |
C7 | C6 | H9 | 109.8° | 109.4° |
C6 | C7 | O4 | 118.7° | 120.0° |
C6 | C7 | N2 | 119.0° | 120.0° |
C8 | C6 | H9 | 109.5° | 109.5° |
C6 | C8 | H10 | 109.5° | 109.5° |
C6 | C8 | H11 | 109.5° | 109.5° |
C6 | C8 | H12 | 109.4° | 109.5° |
O4 | C7 | N2 | 122.3° | 120.0° |
H10 | C8 | H11 | 109.5° | 109.5° |
H10 | C8 | H12 | 109.5° | 109.5° |
H11 | C8 | H12 | 109.5° | 109.4° |
C9 | N2 | H13 | 118.8° | 120.0° |
N2 | C9 | C10 | 105.7° | 109.5° |
N2 | C9 | C11 | 110.8° | 109.5° |
N2 | C9 | H14 | 111.5° | 109.5° |
C9 | N2 | C7 | 122.4° | 120.0° |
H13 | N2 | C7 | 118.8° | 120.0° |
C10 | C9 | C11 | 107.3° | 109.5° |
C10 | C9 | H14 | 110.6° | 109.4° |
C9 | C10 | O5 | 116.7° | 119.9° |
C9 | C10 | N3 | 120.9° | 120.0° |
C11 | C9 | H14 | 110.7° | 109.4° |
C9 | C11 | H15 | 109.5° | 109.4° |
C9 | C11 | H16 | 109.5° | 109.5° |
C9 | C11 | H17 | 109.5° | 109.4° |
O5 | C10 | N3 | 122.4° | 120.0° |
H15 | C11 | H16 | 109.5° | 109.5° |
H15 | C11 | H17 | 109.5° | 109.5° |
H16 | C11 | H17 | 109.4° | 109.5° |
C12 | N3 | C16 | 108.8° | 108.7° |
N3 | C12 | C13 | 108.8° | 109.9° |
N3 | C12 | C14 | 105.4° | 107.3° |
N3 | C12 | H18 | 111.0° | 109.9° |
C12 | N3 | C10 | 123.5° | 125.7° |
N3 | C16 | C15 | 103.3° | 104.7° |
N3 | C16 | H23 | 111.0° | 110.4° |
N3 | C16 | H24 | 111.0° | 110.3° |
C16 | N3 | C10 | 126.6° | 125.6° |
C13 | C12 | C14 | 111.4° | 109.9° |
C13 | C12 | H18 | 109.9° | 109.8° |
C12 | C13 | O6 | 119.6° | 120.0° |
C12 | C13 | N4 | 118.0° | 120.0° |
C14 | C12 | H18 | 110.2° | 110.0° |
C12 | C14 | C15 | 106.2° | 103.0° |
C12 | C14 | H19 | 110.3° | 110.8° |
C12 | C14 | H20 | 110.3° | 110.7° |
O6 | C13 | N4 | 122.4° | 120.0° |
C15 | C14 | H19 | 110.3° | 110.7° |
C15 | C14 | H20 | 110.3° | 110.7° |
C14 | C15 | C16 | 101.8° | 101.5° |
C14 | C15 | H21 | 111.4° | 111.0° |
C14 | C15 | H22 | 111.3° | 111.0° |
H19 | C14 | H20 | 109.5° | 110.8° |
C16 | C15 | H21 | 111.3° | 111.2° |
C16 | C15 | H22 | 111.3° | 110.9° |
C15 | C16 | H23 | 111.0° | 110.5° |
C15 | C16 | H24 | 111.0° | 110.4° |
H21 | C15 | H22 | 109.5° | 111.0° |
H23 | C16 | H24 | 109.5° | 110.4° |
C18 | C17 | N4 | 105.4° | 109.5° |
C18 | C17 | B1 | 116.6° | 109.5° |
C18 | C17 | H25 | 109.0° | 109.5° |
C17 | C18 | C19 | 125.7° | 109.5° |
C17 | C18 | H26 | 105.3° | 109.4° |
C17 | C18 | H27 | 105.3° | 109.5° |
N4 | C17 | B1 | 107.4° | 109.5° |
N4 | C17 | H25 | 110.1° | 109.5° |
C17 | N4 | H35 | 119.4° | 120.0° |
C17 | N4 | C13 | 121.2° | 120.0° |
B1 | C17 | H25 | 108.3° | 109.4° |
C17 | B1 | O7 | 106.6° | 120.0° |
C17 | B1 | O8 | 99.4° | 120.0° |
C19 | C18 | H26 | 105.3° | 109.5° |
C19 | C18 | H27 | 105.3° | 109.5° |
C18 | C19 | C20 | 110.1° | 109.5° |
C18 | C19 | C21 | 110.0° | 109.5° |
C18 | C19 | H28 | 109.6° | 109.5° |
H26 | C18 | H27 | 109.4° | 109.5° |
C20 | C19 | C21 | 107.4° | 109.5° |
C20 | C19 | H28 | 109.8° | 109.5° |
C19 | C20 | H29 | 109.5° | 109.5° |
C19 | C20 | H30 | 109.5° | 109.5° |
C19 | C20 | H31 | 109.5° | 109.5° |
C21 | C19 | H28 | 110.1° | 109.5° |
C19 | C21 | H32 | 109.5° | 109.4° |
C19 | C21 | H33 | 109.5° | 109.5° |
C19 | C21 | H34 | 109.5° | 109.5° |
H29 | C20 | H30 | 109.5° | 109.5° |
H29 | C20 | H31 | 109.5° | 109.4° |
H30 | C20 | H31 | 109.4° | 109.5° |
H32 | C21 | H33 | 109.5° | 109.5° |
H32 | C21 | H34 | 109.5° | 109.5° |
H33 | C21 | H34 | 109.4° | 109.5° |
H35 | N4 | C13 | 119.4° | 120.0° |
O7 | B1 | O8 | 104.2° | 120.0° |
B1 | O7 | H36 | 109.5° | 114.1° |
B1 | O8 | H37 | 109.5° | 114.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | N1 | 90.0° | 179.7° |
O1 | C1 | C2 | C3 | 90.0° | 0.1° |
O1 | C1 | C2 | H1 | 90.0° | 120.0° |
O1 | C1 | C2 | H2 | 90.0° | 120.0° |
O1 | C1 | N1 | C6 | 90.0° | 0.0° |
O1 | C1 | N1 | H8 | 90.0° | 180.0° |
C1 | C2 | C3 | H1 | 90.0° | 120.1° |
C1 | C2 | C3 | H2 | 90.0° | 120.0° |
C1 | C2 | H1 | H2 | 90.0° | 120.0° |
C1 | C2 | C3 | C4 | 90.0° | 180.0° |
C1 | C2 | C3 | H3 | 90.0° | 59.9° |
C1 | C2 | C3 | H4 | 90.0° | 60.0° |
C2 | C1 | N1 | C6 | 90.0° | 179.7° |
C2 | C1 | N1 | H8 | 90.0° | 0.3° |
C3 | C2 | H1 | H2 | 90.0° | 120.0° |
C2 | C3 | C4 | H3 | 90.0° | 120.1° |
C2 | C3 | C4 | H4 | 90.0° | 120.0° |
C2 | C3 | H3 | H4 | 90.0° | 120.0° |
C2 | C3 | C4 | O2 | 90.0° | 0.0° |
C2 | C3 | C4 | O3 | 90.0° | 180.0° |
C3 | C2 | C1 | N1 | 90.0° | 179.8° |
H1 | C2 | C3 | C4 | 90.0° | 59.9° |
H1 | C2 | C3 | H3 | 90.0° | 180.0° |
H1 | C2 | C3 | H4 | 90.0° | 60.0° |
H1 | C2 | C1 | N1 | 90.0° | 59.7° |
H2 | C2 | C3 | C4 | 90.0° | 60.0° |
H2 | C2 | C3 | H3 | 90.0° | 60.0° |
H2 | C2 | C3 | H4 | 90.0° | 180.0° |
H2 | C2 | C1 | N1 | 90.0° | 60.3° |
C4 | C3 | H3 | H4 | 90.0° | 120.0° |
C3 | C4 | O2 | O3 | 90.0° | 180.0° |
C3 | C4 | O3 | C5 | 90.0° | 180.0° |
H3 | C3 | C4 | O2 | 90.0° | 120.1° |
H3 | C3 | C4 | O3 | 90.0° | 59.9° |
H4 | C3 | C4 | O2 | 90.0° | 120.0° |
H4 | C3 | C4 | O3 | 90.0° | 60.0° |
O2 | C4 | O3 | C5 | 90.0° | 0.0° |
C4 | O3 | C5 | H5 | 90.0° | 180.0° |
C4 | O3 | C5 | H6 | 90.0° | 59.9° |
C4 | O3 | C5 | H7 | 90.0° | 60.0° |
O3 | C5 | H5 | H6 | 90.0° | 120.0° |
O3 | C5 | H5 | H7 | 90.0° | 120.0° |
O3 | C5 | H6 | H7 | 90.0° | 119.9° |
H5 | C5 | H6 | H7 | 90.0° | 120.0° |
C6 | N1 | H8 | C1 | 179.9° | 180.0° |
N1 | C6 | C7 | C8 | 120.1° | 120.0° |
N1 | C6 | C7 | H9 | 120.1° | 120.0° |
N1 | C6 | C8 | H9 | 123.3° | 120.0° |
N1 | C6 | C7 | O4 | 34.7° | 0.0° |
N1 | C6 | C8 | H10 | 180.0° | 60.0° |
N1 | C6 | C8 | H11 | 60.0° | 180.0° |
N1 | C6 | C8 | H12 | 60.0° | 60.0° |
N1 | C6 | C7 | N2 | 143.8° | 180.0° |
H8 | N1 | C6 | C7 | 144.3° | 25.0° |
H8 | N1 | C6 | C8 | 26.0° | 95.0° |
H8 | N1 | C6 | H9 | 96.4° | 145.0° |
C7 | C6 | C8 | H9 | 119.9° | 119.9° |
C6 | C7 | O4 | N2 | 178.4° | 180.0° |
C7 | C6 | C8 | H10 | 63.2° | 60.0° |
C7 | C6 | C8 | H11 | 176.8° | 60.0° |
C7 | C6 | C8 | H12 | 56.8° | 179.9° |
C6 | C7 | N2 | C9 | 178.5° | 180.0° |
C6 | C7 | N2 | H13 | 1.5° | 0.1° |
C7 | C6 | N1 | C1 | 35.6° | 155.0° |
C8 | C6 | C7 | O4 | 85.4° | 120.0° |
C6 | C8 | H10 | H11 | 120.0° | 120.0° |
C6 | C8 | H10 | H12 | 120.0° | 120.0° |
C6 | C8 | H11 | H12 | 120.0° | 120.0° |
C8 | C6 | N1 | C1 | 153.9° | 85.0° |
C8 | C6 | C7 | N2 | 96.1° | 60.0° |
H9 | C6 | C7 | O4 | 154.8° | 120.0° |
H9 | C6 | C8 | H10 | 56.7° | 179.9° |
H9 | C6 | C8 | H11 | 63.3° | 60.0° |
H9 | C6 | C8 | H12 | 176.7° | 60.0° |
H9 | C6 | N1 | C1 | 83.6° | 35.0° |
H9 | C6 | C7 | N2 | 23.7° | 60.0° |
O4 | C7 | N2 | C9 | 0.0° | 0.0° |
O4 | C7 | N2 | H13 | 180.0° | 180.0° |
H10 | C8 | H11 | H12 | 120.0° | 120.0° |
C9 | N2 | H13 | C7 | 180.0° | 180.0° |
N2 | C9 | C10 | C11 | 118.2° | 120.1° |
N2 | C9 | C10 | H14 | 120.9° | 120.0° |
N2 | C9 | C11 | H14 | 124.3° | 120.0° |
N2 | C9 | C10 | O5 | 22.7° | 26.3° |
N2 | C9 | C11 | H15 | 180.0° | 175.1° |
N2 | C9 | C11 | H16 | 60.0° | 55.0° |
N2 | C9 | C11 | H17 | 60.0° | 65.0° |
N2 | C9 | C10 | N3 | 154.0° | 153.8° |
H13 | N2 | C9 | C10 | 52.0° | 25.0° |
H13 | N2 | C9 | C11 | 63.9° | 95.1° |
H13 | N2 | C9 | H14 | 172.3° | 145.0° |
C10 | C9 | C11 | H14 | 120.8° | 120.0° |
C9 | C10 | O5 | N3 | 176.7° | 180.0° |
C10 | C9 | C11 | H15 | 65.0° | 64.9° |
C10 | C9 | C11 | H16 | 174.9° | 175.1° |
C10 | C9 | C11 | H17 | 55.0° | 55.1° |
C9 | C10 | N3 | C12 | 178.0° | 174.8° |
C9 | C10 | N3 | C16 | 11.4° | 4.8° |
C10 | C9 | N2 | C7 | 128.0° | 155.0° |
C11 | C9 | C10 | O5 | 95.5° | 93.8° |
C9 | C11 | H15 | H16 | 120.0° | 120.0° |
C9 | C11 | H15 | H17 | 120.0° | 119.9° |
C9 | C11 | H16 | H17 | 120.0° | 119.9° |
C11 | C9 | N2 | C7 | 116.2° | 85.0° |
C11 | C9 | C10 | N3 | 87.7° | 86.2° |
H14 | C9 | C10 | O5 | 143.6° | 146.2° |
H14 | C9 | C11 | H15 | 55.7° | 55.1° |
H14 | C9 | C11 | H16 | 64.3° | 65.0° |
H14 | C9 | C11 | H17 | 175.8° | 175.1° |
H14 | C9 | N2 | C7 | 7.6° | 35.0° |
H14 | C9 | C10 | N3 | 33.1° | 33.8° |
O5 | C10 | N3 | C12 | 5.5° | 5.2° |
O5 | C10 | N3 | C16 | 172.1° | 175.1° |
H15 | C11 | H16 | H17 | 120.0° | 120.0° |
C12 | N3 | C16 | C10 | 168.2° | 179.7° |
N3 | C12 | C13 | C14 | 115.8° | 117.8° |
N3 | C12 | C13 | H18 | 121.7° | 121.0° |
N3 | C12 | C14 | H18 | 119.8° | 119.5° |
N3 | C12 | C13 | O6 | 33.8° | 0.1° |
N3 | C12 | C14 | C15 | 13.4° | 22.2° |
N3 | C12 | C14 | H19 | 106.0° | 140.5° |
N3 | C12 | C14 | H20 | 132.9° | 96.2° |
C12 | N3 | C16 | C15 | 31.0° | 24.5° |
C12 | N3 | C16 | H23 | 150.0° | 94.5° |
C12 | N3 | C16 | H24 | 88.0° | 143.2° |
N3 | C12 | C13 | N4 | 147.0° | 180.0° |
C16 | N3 | C12 | C13 | 108.4° | 120.8° |
C16 | N3 | C12 | C14 | 11.2° | 1.3° |
C16 | N3 | C12 | H18 | 130.5° | 118.3° |
N3 | C16 | C15 | C14 | 37.8° | 37.3° |
N3 | C16 | C15 | H23 | 119.0° | 118.9° |
N3 | C16 | C15 | H24 | 119.0° | 118.7° |
N3 | C16 | C15 | H21 | 156.6° | 80.8° |
N3 | C16 | C15 | H22 | 81.0° | 155.3° |
N3 | C16 | H23 | H24 | 122.9° | 122.3° |
C13 | C12 | C14 | H18 | 122.3° | 121.1° |
C12 | C13 | O6 | N4 | 179.2° | 179.9° |
C13 | C12 | C14 | C15 | 131.3° | 97.2° |
C13 | C12 | C14 | H19 | 11.8° | 21.1° |
C13 | C12 | C14 | H20 | 109.2° | 144.4° |
C12 | C13 | N4 | C17 | 173.5° | 180.0° |
C12 | C13 | N4 | H35 | 6.5° | 0.1° |
C13 | C12 | N3 | C10 | 60.2° | 59.6° |
C14 | C12 | C13 | O6 | 82.0° | 117.7° |
C12 | C14 | C15 | H19 | 119.5° | 118.4° |
C12 | C14 | C15 | H20 | 119.5° | 118.4° |
C12 | C14 | H19 | H20 | 121.5° | 123.3° |
C12 | C14 | C15 | C16 | 31.5° | 35.7° |
C12 | C14 | C15 | H21 | 150.2° | 82.5° |
C12 | C14 | C15 | H22 | 87.3° | 153.5° |
C14 | C12 | C13 | N4 | 97.2° | 62.1° |
C14 | C12 | N3 | C10 | 179.9° | 179.0° |
H18 | C12 | C13 | O6 | 155.5° | 121.1° |
H18 | C12 | C14 | C15 | 106.4° | 141.7° |
H18 | C12 | C14 | H19 | 134.1° | 99.9° |
H18 | C12 | C14 | H20 | 13.1° | 23.4° |
H18 | C12 | C13 | N4 | 25.3° | 59.0° |
H18 | C12 | N3 | C10 | 60.8° | 61.4° |
O6 | C13 | N4 | C17 | 5.7° | 0.1° |
O6 | C13 | N4 | H35 | 174.3° | 180.0° |
C15 | C14 | H19 | H20 | 121.6° | 123.2° |
C14 | C15 | C16 | H21 | 118.8° | 118.1° |
C14 | C15 | C16 | H22 | 118.8° | 117.9° |
C14 | C15 | H21 | H22 | 123.6° | 124.0° |
C14 | C15 | C16 | H23 | 156.8° | 81.6° |
C14 | C15 | C16 | H24 | 81.2° | 156.1° |
H19 | C14 | C15 | C16 | 88.0° | 154.1° |
H19 | C14 | C15 | H21 | 30.8° | 35.9° |
H19 | C14 | C15 | H22 | 153.3° | 88.1° |
H20 | C14 | C15 | C16 | 151.0° | 82.7° |
H20 | C14 | C15 | H21 | 90.3° | 159.1° |
H20 | C14 | C15 | H22 | 32.2° | 35.1° |
C16 | C15 | H21 | H22 | 123.5° | 123.9° |
C15 | C16 | H23 | H24 | 122.8° | 122.4° |
C15 | C16 | N3 | C10 | 160.7° | 155.8° |
H21 | C15 | C16 | H23 | 84.4° | 160.3° |
H21 | C15 | C16 | H24 | 37.6° | 38.0° |
H22 | C15 | C16 | H23 | 38.1° | 36.4° |
H22 | C15 | C16 | H24 | 160.0° | 86.0° |
H23 | C16 | N3 | C10 | 41.8° | 85.2° |
H24 | C16 | N3 | C10 | 80.3° | 37.1° |
C18 | C17 | N4 | B1 | 124.9° | 120.0° |
C18 | C17 | N4 | H25 | 117.3° | 120.0° |
C18 | C17 | B1 | H25 | 123.3° | 120.0° |
C17 | C18 | C19 | H26 | 122.2° | 119.9° |
C17 | C18 | C19 | H27 | 122.2° | 120.0° |
C17 | C18 | H26 | H27 | 112.7° | 120.0° |
C17 | C18 | C19 | C20 | 178.3° | 65.7° |
C17 | C18 | C19 | C21 | 63.6° | 174.4° |
C17 | C18 | C19 | H28 | 57.5° | 54.4° |
C18 | C17 | N4 | H35 | 67.0° | 44.9° |
C18 | C17 | B1 | O7 | 51.1° | 64.9° |
C18 | C17 | B1 | O8 | 159.1° | 115.1° |
C18 | C17 | N4 | C13 | 113.0° | 135.0° |
N4 | C17 | B1 | H25 | 118.9° | 120.0° |
N4 | C17 | C18 | C19 | 50.4° | 176.0° |
N4 | C17 | C18 | H26 | 71.8° | 64.0° |
N4 | C17 | C18 | H27 | 172.6° | 56.0° |
C17 | N4 | H35 | C13 | 180.0° | 179.9° |
N4 | C17 | B1 | O7 | 169.0° | 55.1° |
N4 | C17 | B1 | O8 | 83.0° | 124.9° |
B1 | C17 | C18 | C19 | 169.4° | 56.0° |
B1 | C17 | C18 | H26 | 47.2° | 175.9° |
B1 | C17 | C18 | H27 | 68.4° | 64.1° |
B1 | C17 | N4 | H35 | 58.0° | 75.1° |
C17 | B1 | O7 | O8 | 104.6° | 180.0° |
C17 | B1 | O7 | H36 | 180.0° | 0.0° |
C17 | B1 | O8 | H37 | 180.0° | 5.0° |
B1 | C17 | N4 | C13 | 122.0° | 105.0° |
H25 | C17 | C18 | C19 | 67.7° | 64.0° |
H25 | C17 | C18 | H26 | 170.1° | 56.0° |
H25 | C17 | C18 | H27 | 54.5° | 176.0° |
H25 | C17 | N4 | H35 | 175.7° | 165.0° |
H25 | C17 | B1 | O7 | 72.1° | 175.1° |
H25 | C17 | B1 | O8 | 35.8° | 4.9° |
H25 | C17 | N4 | C13 | 4.3° | 14.9° |
C19 | C18 | H26 | H27 | 112.7° | 120.0° |
C18 | C19 | C20 | C21 | 119.7° | 120.0° |
C18 | C19 | C20 | H28 | 120.7° | 120.0° |
C18 | C19 | C21 | H28 | 120.8° | 120.0° |
C18 | C19 | C20 | H29 | 180.0° | 180.0° |
C18 | C19 | C20 | H30 | 60.0° | 60.0° |
C18 | C19 | C20 | H31 | 60.0° | 60.0° |
C18 | C19 | C21 | H32 | 180.0° | 60.0° |
C18 | C19 | C21 | H33 | 60.0° | 180.0° |
C18 | C19 | C21 | H34 | 60.0° | 60.0° |
H26 | C18 | C19 | C20 | 56.1° | 54.3° |
H26 | C18 | C19 | C21 | 174.2° | 65.7° |
H26 | C18 | C19 | H28 | 64.7° | 174.3° |
H27 | C18 | C19 | C20 | 59.5° | 174.3° |
H27 | C18 | C19 | C21 | 58.5° | 54.3° |
H27 | C18 | C19 | H28 | 179.7° | 65.6° |
C20 | C19 | C21 | H28 | 119.4° | 120.0° |
C19 | C20 | H29 | H30 | 120.0° | 120.1° |
C19 | C20 | H29 | H31 | 120.0° | 120.0° |
C19 | C20 | H30 | H31 | 120.0° | 120.0° |
C20 | C19 | C21 | H32 | 60.3° | 180.0° |
C20 | C19 | C21 | H33 | 59.8° | 60.0° |
C20 | C19 | C21 | H34 | 179.7° | 60.0° |
C21 | C19 | C20 | H29 | 60.3° | 60.0° |
C21 | C19 | C20 | H30 | 179.7° | 180.0° |
C21 | C19 | C20 | H31 | 59.7° | 60.0° |
C19 | C21 | H32 | H33 | 120.0° | 120.0° |
C19 | C21 | H32 | H34 | 120.0° | 120.0° |
C19 | C21 | H33 | H34 | 120.0° | 120.1° |
H28 | C19 | C20 | H29 | 59.3° | 60.0° |
H28 | C19 | C20 | H30 | 60.7° | 60.0° |
H28 | C19 | C20 | H31 | 179.3° | 180.0° |
H28 | C19 | C21 | H32 | 59.1° | 60.0° |
H28 | C19 | C21 | H33 | 179.2° | 60.0° |
H28 | C19 | C21 | H34 | 60.9° | 180.0° |
H29 | C20 | H30 | H31 | 120.0° | 119.9° |
H32 | C21 | H33 | H34 | 120.0° | 120.0° |
O7 | B1 | O8 | H37 | 70.0° | 175.0° |
O8 | B1 | O7 | H36 | 75.4° | 180.0° |