PRD_000351
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | O2 | sing | 1.34Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| O2 | H1 | sing | 0.97Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | C4 | sing | 1.51Å | 75.70Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | O3 | doub | 1.21Å | 1.23Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.24Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.46Å | 1.45Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.25Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.54Å | 1.55Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | doub | 1.21Å | 1.25Å | |
| C13 | C14 | sing | 1.55Å | 1.47Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.55Å | 1.49Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C16 | sing | 1.46Å | 1.47Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.23Å | |
| C17 | O8 | sing | 1.34Å | 69.67Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.47Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | N5 | sing | 1.46Å | 1.45Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| N5 | C21 | sing | 1.37Å | 1.31Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | N6 | sing | 1.33Å | 1.31Å | |
| C21 | N7 | doub | 1.33Å | 1.31Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| N7 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| O8 | H36 | sing | 0.97Å | 0.00Å | |
| C4 | N1 | sing | 1.35Å | 1.32Å | |
| C6 | N2 | sing | 1.35Å | 1.31Å | |
| C9 | N3 | sing | 1.35Å | 1.32Å | |
| C12 | N4 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 90.0° | 120.0° |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O2 | C1 | C2 | 90.0° | 119.9° |
| C1 | O2 | H1 | 90.0° | 116.9° |
| C1 | C2 | C3 | 90.0° | 109.4° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C3 | C2 | H2 | 90.0° | 109.5° |
| C3 | C2 | H3 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C2 | C3 | H4 | 90.0° | 109.5° |
| C2 | C3 | H5 | 90.0° | 109.5° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C4 | C3 | H4 | 90.0° | 109.4° |
| C4 | C3 | H5 | 90.0° | 109.5° |
| C3 | C4 | O3 | 30.2° | 120.0° |
| C3 | C4 | N1 | 132.5° | 120.0° |
| H4 | C3 | H5 | 90.0° | 109.4° |
| O3 | C4 | N1 | 122.7° | 120.0° |
| C5 | N1 | H6 | 120.1° | 120.0° |
| N1 | C5 | C6 | 109.0° | 109.5° |
| N1 | C5 | C7 | 111.3° | 109.4° |
| N1 | C5 | H7 | 109.1° | 109.5° |
| C5 | N1 | C4 | 119.7° | 120.0° |
| H6 | N1 | C4 | 120.1° | 120.0° |
| C6 | C5 | C7 | 110.6° | 109.5° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C5 | C6 | O4 | 121.4° | 120.0° |
| C5 | C6 | N2 | 117.0° | 120.0° |
| C7 | C5 | H7 | 108.3° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.4° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.4° |
| O4 | C6 | N2 | 121.6° | 120.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H10 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.5° |
| C8 | N2 | H11 | 118.5° | 120.0° |
| N2 | C8 | C9 | 108.6° | 109.5° |
| N2 | C8 | C10 | 110.1° | 109.5° |
| N2 | C8 | H12 | 110.1° | 109.5° |
| C8 | N2 | C6 | 123.1° | 120.0° |
| H11 | N2 | C6 | 118.5° | 120.0° |
| C9 | C8 | C10 | 109.8° | 109.5° |
| C9 | C8 | H12 | 109.1° | 109.5° |
| C8 | C9 | O5 | 121.5° | 120.0° |
| C8 | C9 | N3 | 116.4° | 120.0° |
| C10 | C8 | H12 | 109.2° | 109.4° |
| C8 | C10 | H13 | 109.5° | 109.4° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.4° | 109.5° |
| O5 | C9 | N3 | 122.0° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.4° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| C11 | N3 | C15 | 112.0° | 108.7° |
| N3 | C11 | C12 | 111.1° | 109.9° |
| N3 | C11 | C13 | 102.7° | 107.3° |
| N3 | C11 | H16 | 110.7° | 109.9° |
| C11 | N3 | C9 | 119.9° | 125.6° |
| N3 | C15 | C14 | 102.6° | 104.7° |
| N3 | C15 | H21 | 111.2° | 110.4° |
| N3 | C15 | H22 | 111.2° | 110.4° |
| C15 | N3 | C9 | 128.0° | 125.6° |
| C12 | C11 | C13 | 112.7° | 109.9° |
| C12 | C11 | H16 | 109.9° | 109.9° |
| C11 | C12 | O6 | 120.4° | 120.0° |
| C11 | C12 | N4 | 116.9° | 120.0° |
| C13 | C11 | H16 | 109.6° | 110.1° |
| C11 | C13 | C14 | 105.9° | 103.0° |
| C11 | C13 | H17 | 110.3° | 110.7° |
| C11 | C13 | H18 | 110.3° | 110.7° |
| O6 | C12 | N4 | 122.7° | 120.0° |
| C14 | C13 | H17 | 110.4° | 110.7° |
| C14 | C13 | H18 | 110.3° | 110.7° |
| C13 | C14 | C15 | 105.9° | 101.5° |
| C13 | C14 | H19 | 110.4° | 111.0° |
| C13 | C14 | H20 | 110.4° | 111.0° |
| H17 | C13 | H18 | 109.5° | 110.8° |
| C15 | C14 | H19 | 110.4° | 111.2° |
| C15 | C14 | H20 | 110.3° | 110.9° |
| C14 | C15 | H21 | 111.2° | 110.5° |
| C14 | C15 | H22 | 111.2° | 110.3° |
| H19 | C14 | H20 | 109.5° | 110.9° |
| H21 | C15 | H22 | 109.4° | 110.5° |
| C16 | N4 | H23 | 118.0° | 120.0° |
| N4 | C16 | C17 | 112.4° | 109.5° |
| N4 | C16 | C18 | 110.1° | 109.5° |
| N4 | C16 | H24 | 109.1° | 109.4° |
| C16 | N4 | C12 | 124.0° | 120.0° |
| H23 | N4 | C12 | 118.0° | 119.9° |
| C17 | C16 | C18 | 108.2° | 109.5° |
| C17 | C16 | H24 | 108.4° | 109.5° |
| C16 | C17 | O7 | 120.8° | 120.0° |
| C16 | C17 | O8 | 106.1° | 120.0° |
| C18 | C16 | H24 | 108.6° | 109.5° |
| C16 | C18 | C19 | 112.6° | 109.5° |
| C16 | C18 | H25 | 108.7° | 109.5° |
| C16 | C18 | H26 | 108.7° | 109.5° |
| O7 | C17 | O8 | 36.4° | 120.0° |
| C17 | O8 | H36 | 90.0° | 117.0° |
| C19 | C18 | H25 | 108.7° | 109.5° |
| C19 | C18 | H26 | 108.7° | 109.5° |
| C18 | C19 | C20 | 110.3° | 109.5° |
| C18 | C19 | H27 | 109.3° | 109.4° |
| C18 | C19 | H28 | 109.3° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| C20 | C19 | H27 | 109.3° | 109.5° |
| C20 | C19 | H28 | 109.2° | 109.5° |
| C19 | C20 | N5 | 111.3° | 109.5° |
| C19 | C20 | H29 | 109.0° | 109.5° |
| C19 | C20 | H30 | 109.0° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| N5 | C20 | H29 | 109.0° | 109.5° |
| N5 | C20 | H30 | 109.0° | 109.5° |
| C20 | N5 | C21 | 123.8° | 120.0° |
| C20 | N5 | H31 | 118.1° | 120.0° |
| H29 | C20 | H30 | 109.4° | 109.4° |
| C21 | N5 | H31 | 118.1° | 120.0° |
| N5 | C21 | N6 | 120.7° | 120.0° |
| N5 | C21 | N7 | 120.6° | 120.0° |
| N6 | C21 | N7 | 118.6° | 120.0° |
| C21 | N6 | H32 | 120.0° | 120.0° |
| C21 | N6 | H33 | 120.0° | 120.0° |
| C21 | N7 | H34 | 120.0° | 119.9° |
| C21 | N7 | H35 | 120.0° | 120.0° |
| H32 | N6 | H33 | 120.0° | 120.0° |
| H34 | N7 | H35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | C2 | 90.0° | 179.7° |
| O1 | C1 | O2 | H1 | 90.0° | 0.1° |
| O1 | C1 | C2 | C3 | 90.0° | 0.0° |
| O1 | C1 | C2 | H2 | 90.0° | 120.0° |
| O1 | C1 | C2 | H3 | 90.0° | 120.0° |
| O2 | C1 | C2 | C3 | 90.0° | 179.7° |
| O2 | C1 | C2 | H2 | 90.0° | 60.3° |
| O2 | C1 | C2 | H3 | 90.0° | 59.7° |
| C2 | C1 | O2 | H1 | 90.0° | 179.8° |
| C1 | C2 | C3 | H2 | 90.0° | 120.0° |
| C1 | C2 | C3 | H3 | 90.0° | 120.0° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | C3 | H4 | 90.0° | 60.0° |
| C1 | C2 | C3 | H5 | 90.0° | 60.0° |
| C3 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C3 | C4 | H4 | 90.0° | 120.0° |
| C2 | C3 | C4 | H5 | 90.0° | 120.1° |
| C2 | C3 | H4 | H5 | 90.0° | 120.1° |
| C2 | C3 | C4 | O3 | 90.0° | 0.1° |
| C2 | C3 | C4 | N1 | 90.0° | 180.0° |
| H2 | C2 | C3 | C4 | 90.0° | 60.1° |
| H2 | C2 | C3 | H4 | 90.0° | NaN° |
| H2 | C2 | C3 | H5 | 90.0° | 60.0° |
| H3 | C2 | C3 | C4 | 90.0° | 60.0° |
| H3 | C2 | C3 | H4 | 90.0° | 60.0° |
| H3 | C2 | C3 | H5 | 90.0° | 180.0° |
| C4 | C3 | H4 | H5 | 90.0° | 120.0° |
| C3 | C4 | O3 | N1 | 119.5° | 179.9° |
| C3 | C4 | N1 | C5 | 25.9° | 179.9° |
| C3 | C4 | N1 | H6 | 154.1° | 0.0° |
| H4 | C3 | C4 | O3 | 90.0° | 120.0° |
| H4 | C3 | C4 | N1 | 90.0° | 60.0° |
| H5 | C3 | C4 | O3 | 90.0° | 120.0° |
| H5 | C3 | C4 | N1 | 90.0° | 59.9° |
| O3 | C4 | N1 | C5 | 10.6° | 0.0° |
| O3 | C4 | N1 | H6 | 169.4° | 179.9° |
| C5 | N1 | H6 | C4 | 180.0° | 179.9° |
| N1 | C5 | C6 | C7 | 122.7° | 120.0° |
| N1 | C5 | C6 | H7 | 118.7° | 120.0° |
| N1 | C5 | C7 | H7 | 120.0° | 120.0° |
| N1 | C5 | C6 | O4 | 44.2° | 0.0° |
| N1 | C5 | C7 | H8 | 180.0° | 180.0° |
| N1 | C5 | C7 | H9 | 60.0° | 60.0° |
| N1 | C5 | C7 | H10 | 60.0° | 60.0° |
| N1 | C5 | C6 | N2 | 135.1° | 180.0° |
| H6 | N1 | C5 | C6 | 112.0° | 24.9° |
| H6 | N1 | C5 | C7 | 10.3° | 95.1° |
| H6 | N1 | C5 | H7 | 129.8° | 144.9° |
| C6 | C5 | C7 | H7 | 118.6° | 120.0° |
| C5 | C6 | O4 | N2 | 179.3° | 180.0° |
| C6 | C5 | C7 | H8 | 58.6° | 60.0° |
| C6 | C5 | C7 | H9 | 178.6° | 180.0° |
| C6 | C5 | C7 | H10 | 61.4° | 60.0° |
| C5 | C6 | N2 | C8 | 178.2° | 180.0° |
| C5 | C6 | N2 | H11 | 1.9° | 0.0° |
| C6 | C5 | N1 | C4 | 68.0° | 155.0° |
| C7 | C5 | C6 | O4 | 78.5° | 120.0° |
| C5 | C7 | H8 | H9 | 120.0° | 120.0° |
| C5 | C7 | H8 | H10 | 120.0° | 120.0° |
| C5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C7 | C5 | N1 | C4 | 169.7° | 85.0° |
| C7 | C5 | C6 | N2 | 102.2° | 60.0° |
| H7 | C5 | C6 | O4 | 162.9° | 120.0° |
| H7 | C5 | C7 | H8 | 60.0° | 60.0° |
| H7 | C5 | C7 | H9 | 60.0° | 60.0° |
| H7 | C5 | C7 | H10 | 180.0° | 180.0° |
| H7 | C5 | N1 | C4 | 50.2° | 35.0° |
| H7 | C5 | C6 | N2 | 16.4° | 60.0° |
| O4 | C6 | N2 | C8 | 1.2° | 0.0° |
| O4 | C6 | N2 | H11 | 178.8° | 180.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.1° |
| C8 | N2 | H11 | C6 | 180.0° | 180.0° |
| N2 | C8 | C9 | C10 | 120.4° | 120.0° |
| N2 | C8 | C9 | H12 | 120.0° | 120.0° |
| N2 | C8 | C10 | H12 | 121.0° | 120.0° |
| N2 | C8 | C9 | O5 | 35.5° | 25.3° |
| N2 | C8 | C10 | H13 | 180.0° | 65.0° |
| N2 | C8 | C10 | H14 | 60.0° | 175.0° |
| N2 | C8 | C10 | H15 | 60.0° | 55.0° |
| N2 | C8 | C9 | N3 | 147.3° | 154.7° |
| H11 | N2 | C8 | C9 | 29.7° | 25.0° |
| H11 | N2 | C8 | C10 | 90.4° | 95.0° |
| H11 | N2 | C8 | H12 | 149.1° | 145.0° |
| C9 | C8 | C10 | H12 | 119.6° | 120.0° |
| C8 | C9 | O5 | N3 | 177.0° | 180.0° |
| C9 | C8 | C10 | H13 | 60.5° | 55.1° |
| C9 | C8 | C10 | H14 | 179.5° | 64.9° |
| C9 | C8 | C10 | H15 | 59.4° | 175.0° |
| C8 | C9 | N3 | C11 | 173.2° | 175.4° |
| C8 | C9 | N3 | C15 | 7.1° | 4.3° |
| C9 | C8 | N2 | C6 | 150.2° | 155.0° |
| C10 | C8 | C9 | O5 | 84.9° | 94.7° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.1° |
| C10 | C8 | N2 | C6 | 89.6° | 85.0° |
| C10 | C8 | C9 | N3 | 92.3° | 85.3° |
| H12 | C8 | C9 | O5 | 155.5° | 145.3° |
| H12 | C8 | C10 | H13 | 59.0° | 175.0° |
| H12 | C8 | C10 | H14 | 61.0° | 55.0° |
| H12 | C8 | C10 | H15 | 179.0° | 65.0° |
| H12 | C8 | N2 | C6 | 30.9° | 35.0° |
| H12 | C8 | C9 | N3 | 27.3° | 34.7° |
| O5 | C9 | N3 | C11 | 4.0° | 4.6° |
| O5 | C9 | N3 | C15 | 175.7° | 175.7° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| C11 | N3 | C15 | C9 | 179.7° | 179.7° |
| N3 | C11 | C12 | C13 | 114.7° | 117.8° |
| N3 | C11 | C12 | H16 | 122.8° | 121.0° |
| N3 | C11 | C13 | H16 | 117.7° | 119.5° |
| N3 | C11 | C12 | O6 | 32.0° | 0.0° |
| N3 | C11 | C13 | C14 | 17.6° | 22.2° |
| N3 | C11 | C13 | H17 | 101.9° | 140.6° |
| N3 | C11 | C13 | H18 | 137.0° | 96.2° |
| C11 | N3 | C15 | C14 | 21.6° | 24.4° |
| C11 | N3 | C15 | H21 | 140.5° | 94.5° |
| C11 | N3 | C15 | H22 | 97.3° | 143.2° |
| N3 | C11 | C12 | N4 | 149.2° | 180.0° |
| C15 | N3 | C11 | C12 | 117.9° | 120.7° |
| C15 | N3 | C11 | C13 | 2.8° | 1.3° |
| C15 | N3 | C11 | H16 | 119.8° | 118.3° |
| N3 | C15 | C14 | C13 | 32.2° | 37.3° |
| N3 | C15 | C14 | H21 | 118.9° | 118.8° |
| N3 | C15 | C14 | H22 | 118.9° | 118.8° |
| N3 | C15 | C14 | H19 | 151.7° | 80.8° |
| N3 | C15 | C14 | H20 | 87.2° | 155.3° |
| N3 | C15 | H21 | H22 | 123.2° | 122.3° |
| C12 | C11 | C13 | H16 | 122.6° | 121.1° |
| C11 | C12 | O6 | N4 | 178.7° | 180.0° |
| C12 | C11 | C13 | C14 | 137.2° | 97.2° |
| C12 | C11 | C13 | H17 | 17.8° | 21.2° |
| C12 | C11 | C13 | H18 | 103.3° | 144.4° |
| C11 | C12 | N4 | C16 | 178.7° | 180.0° |
| C11 | C12 | N4 | H23 | 1.3° | 0.0° |
| C12 | C11 | N3 | C9 | 62.4° | 59.6° |
| C13 | C11 | C12 | O6 | 82.7° | 117.8° |
| C11 | C13 | C14 | H17 | 119.4° | 118.4° |
| C11 | C13 | C14 | H18 | 119.4° | 118.3° |
| C11 | C13 | H17 | H18 | 121.6° | 123.2° |
| C11 | C13 | C14 | C15 | 31.5° | 35.6° |
| C11 | C13 | C14 | H19 | 150.9° | 82.6° |
| C11 | C13 | C14 | H20 | 87.9° | 153.6° |
| C13 | C11 | N3 | C9 | 176.9° | 179.0° |
| C13 | C11 | C12 | N4 | 96.1° | 62.2° |
| H16 | C11 | C12 | O6 | 154.8° | 121.0° |
| H16 | C11 | C13 | C14 | 100.1° | 141.7° |
| H16 | C11 | C13 | H17 | 140.4° | 100.0° |
| H16 | C11 | C13 | H18 | 19.3° | 23.3° |
| H16 | C11 | N3 | C9 | 60.0° | 61.4° |
| H16 | C11 | C12 | N4 | 26.4° | 59.0° |
| O6 | C12 | N4 | C16 | 0.1° | 0.0° |
| O6 | C12 | N4 | H23 | 180.0° | 180.0° |
| C14 | C13 | H17 | H18 | 121.6° | 123.3° |
| C13 | C14 | C15 | H19 | 119.4° | 118.1° |
| C13 | C14 | C15 | H20 | 119.4° | 118.0° |
| C13 | C14 | H19 | H20 | 121.7° | 123.9° |
| C13 | C14 | C15 | H21 | 151.2° | 81.5° |
| C13 | C14 | C15 | H22 | 86.7° | 156.0° |
| H17 | C13 | C14 | C15 | 87.9° | 154.0° |
| H17 | C13 | C14 | H19 | 31.5° | 35.8° |
| H17 | C13 | C14 | H20 | 152.7° | 88.1° |
| H18 | C13 | C14 | C15 | 150.9° | 82.7° |
| H18 | C13 | C14 | H19 | 89.6° | 159.1° |
| H18 | C13 | C14 | H20 | 31.5° | 35.2° |
| C15 | C14 | H19 | H20 | 121.6° | 123.9° |
| C14 | C15 | H21 | H22 | 123.2° | 122.3° |
| C14 | C15 | N3 | C9 | 158.1° | 155.8° |
| H19 | C14 | C15 | H21 | 89.4° | 160.4° |
| H19 | C14 | C15 | H22 | 32.7° | 38.0° |
| H20 | C14 | C15 | H21 | 31.7° | 36.5° |
| H20 | C14 | C15 | H22 | 153.9° | 85.9° |
| H21 | C15 | N3 | C9 | 39.2° | 85.3° |
| H22 | C15 | N3 | C9 | 83.0° | 37.1° |
| C16 | N4 | H23 | C12 | 180.0° | 180.0° |
| N4 | C16 | C17 | C18 | 121.8° | 120.0° |
| N4 | C16 | C17 | H24 | 120.6° | 119.9° |
| N4 | C16 | C18 | H24 | 119.3° | 120.0° |
| N4 | C16 | C17 | O7 | 147.7° | 0.0° |
| N4 | C16 | C17 | O8 | 175.8° | 180.0° |
| N4 | C16 | C18 | C19 | 71.3° | 65.0° |
| N4 | C16 | C18 | H25 | 49.2° | 55.0° |
| N4 | C16 | C18 | H26 | 168.3° | 175.0° |
| H23 | N4 | C16 | C17 | 65.5° | 95.1° |
| H23 | N4 | C16 | C18 | 55.2° | 25.0° |
| H23 | N4 | C16 | H24 | 174.2° | 145.0° |
| C17 | C16 | C18 | H24 | 117.5° | 120.0° |
| C16 | C17 | O7 | O8 | 74.7° | 180.0° |
| C17 | C16 | C18 | C19 | 165.6° | 175.0° |
| C17 | C16 | C18 | H25 | 74.0° | 65.0° |
| C17 | C16 | C18 | H26 | 45.1° | 54.9° |
| C16 | C17 | O8 | H36 | 90.0° | 179.9° |
| C17 | C16 | N4 | C12 | 114.5° | 85.0° |
| C18 | C16 | C17 | O7 | 90.5° | 120.0° |
| C18 | C16 | C17 | O8 | 54.0° | 60.0° |
| C16 | C18 | C19 | H25 | 120.5° | 120.0° |
| C16 | C18 | C19 | H26 | 120.4° | 120.1° |
| C16 | C18 | H25 | H26 | 118.6° | 120.0° |
| C16 | C18 | C19 | C20 | 175.7° | 180.0° |
| C16 | C18 | C19 | H27 | 64.2° | 60.0° |
| C16 | C18 | C19 | H28 | 55.6° | 60.0° |
| C18 | C16 | N4 | C12 | 124.8° | 155.0° |
| H24 | C16 | C17 | O7 | 27.0° | 120.0° |
| H24 | C16 | C17 | O8 | 63.6° | 60.0° |
| H24 | C16 | C18 | C19 | 48.1° | 55.0° |
| H24 | C16 | C18 | H25 | 168.5° | 175.0° |
| H24 | C16 | C18 | H26 | 72.4° | 65.1° |
| H24 | C16 | N4 | C12 | 5.8° | 35.0° |
| O7 | C17 | O8 | H36 | 90.0° | 0.0° |
| C19 | C18 | H25 | H26 | 118.6° | 120.0° |
| C18 | C19 | C20 | H27 | 120.1° | 120.0° |
| C18 | C19 | C20 | H28 | 120.1° | 120.0° |
| C18 | C19 | H27 | H28 | 119.6° | 120.0° |
| C18 | C19 | C20 | N5 | 177.5° | 180.0° |
| C18 | C19 | C20 | H29 | 62.2° | 60.0° |
| C18 | C19 | C20 | H30 | 57.3° | 59.9° |
| H25 | C18 | C19 | C20 | 55.2° | 60.0° |
| H25 | C18 | C19 | H27 | 175.4° | 180.0° |
| H25 | C18 | C19 | H28 | 64.9° | 60.0° |
| H26 | C18 | C19 | C20 | 63.9° | 59.9° |
| H26 | C18 | C19 | H27 | 56.3° | 60.0° |
| H26 | C18 | C19 | H28 | 176.0° | 180.0° |
| C20 | C19 | H27 | H28 | 119.6° | 120.0° |
| C19 | C20 | N5 | H29 | 120.3° | 120.0° |
| C19 | C20 | N5 | H30 | 120.3° | 120.0° |
| C19 | C20 | H29 | H30 | 119.2° | 120.0° |
| C19 | C20 | N5 | C21 | 175.8° | 179.9° |
| C19 | C20 | N5 | H31 | 4.2° | 0.0° |
| H27 | C19 | C20 | N5 | 57.4° | 60.0° |
| H27 | C19 | C20 | H29 | 177.7° | 180.0° |
| H27 | C19 | C20 | H30 | 62.9° | 60.0° |
| H28 | C19 | C20 | N5 | 62.3° | 60.0° |
| H28 | C19 | C20 | H29 | 58.0° | 60.0° |
| H28 | C19 | C20 | H30 | 177.4° | 179.9° |
| N5 | C20 | H29 | H30 | 119.1° | 120.0° |
| C20 | N5 | C21 | H31 | 180.0° | 179.9° |
| C20 | N5 | C21 | N6 | 2.1° | 0.1° |
| C20 | N5 | C21 | N7 | 178.5° | 180.0° |
| H29 | C20 | N5 | C21 | 63.9° | 59.9° |
| H29 | C20 | N5 | H31 | 116.1° | 120.0° |
| H30 | C20 | N5 | C21 | 55.5° | 60.0° |
| H30 | C20 | N5 | H31 | 124.5° | 120.1° |
| N5 | C21 | N6 | N7 | 176.4° | 179.9° |
| N5 | C21 | N6 | H32 | 176.4° | 0.0° |
| N5 | C21 | N6 | H33 | 3.6° | 179.9° |
| N5 | C21 | N7 | H34 | 176.4° | 0.0° |
| N5 | C21 | N7 | H35 | 3.6° | 179.9° |
| H31 | N5 | C21 | N6 | 177.9° | 180.0° |
| H31 | N5 | C21 | N7 | 1.5° | 0.1° |
| C21 | N6 | H32 | H33 | 180.0° | 180.0° |
| N6 | C21 | N7 | H34 | 0.0° | 180.0° |
| N6 | C21 | N7 | H35 | 180.0° | 0.0° |
| N7 | C21 | N6 | H32 | 0.0° | 180.0° |
| N7 | C21 | N6 | H33 | 180.0° | 0.0° |
| C21 | N7 | H34 | H35 | 180.0° | 180.0° |
