PRD_000350
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 | 75.21Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C3 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | O3 | doub | 1.21Å | 1.21Å | |
| N1 | C5 | sing | 1.46Å | 1.48Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.49Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | doub | 1.21Å | 1.22Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.44Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.47Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O5 | doub | 1.21Å | 1.23Å | |
| 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 | 1.48Å | |
| N3 | C15 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C13 | sing | 1.54Å | 1.52Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | doub | 1.21Å | 1.24Å | |
| 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 | 1.52Å | |
| 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 | 1.47Å | 1.44Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.50Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.22Å | |
| C17 | O8 | sing | 1.34Å | 69.42Å | |
| C18 | C19 | sing | 1.53Å | 1.48Å | |
| 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 | C21 | sing | 1.53Å | 1.43Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | N5 | sing | 1.47Å | 1.51Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| N5 | H33 | sing | 1.01Å | 1.00Å | |
| N5 | H34 | sing | 1.01Å | 1.00Å | |
| N5 | H35 | sing | 1.01Å | 1.00Å | |
| O8 | H36 | sing | 0.97Å | 0.00Å | |
| C4 | N1 | sing | 1.35Å | 1.33Å | |
| C6 | N2 | sing | 1.35Å | 1.32Å | |
| C9 | N3 | sing | 1.35Å | 1.34Å | |
| C12 | N4 | sing | 1.35Å | 1.33Å |
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° | 120.0° |
| C1 | O2 | H1 | 90.0° | 117.0° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| 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° | 109.4° |
| C2 | C3 | H5 | 90.0° | 109.4° |
| H2 | C2 | H3 | 90.0° | 109.4° |
| C4 | C3 | H4 | 90.0° | 109.5° |
| C4 | C3 | H5 | 90.0° | 109.5° |
| C3 | C4 | O3 | 27.6° | 120.0° |
| C3 | C4 | N1 | 145.1° | 120.0° |
| H4 | C3 | H5 | 90.0° | 109.5° |
| O3 | C4 | N1 | 147.1° | 120.0° |
| C5 | N1 | H6 | 127.3° | 120.1° |
| N1 | C5 | C6 | 111.3° | 109.5° |
| N1 | C5 | C7 | 110.6° | 109.5° |
| N1 | C5 | H7 | 108.7° | 109.5° |
| C5 | N1 | C4 | 105.5° | 120.0° |
| H6 | N1 | C4 | 127.2° | 119.9° |
| C6 | C5 | C7 | 109.1° | 109.5° |
| C6 | C5 | H7 | 108.3° | 109.5° |
| C5 | C6 | O4 | 120.7° | 120.0° |
| C5 | C6 | N2 | 116.1° | 120.0° |
| C7 | C5 | H7 | 108.7° | 109.4° |
| C5 | C7 | H8 | 109.5° | 109.5° |
| C5 | C7 | H9 | 109.5° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| O4 | C6 | N2 | 123.2° | 120.0° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.4° |
| C8 | N2 | H11 | 119.6° | 120.0° |
| N2 | C8 | C9 | 109.5° | 109.5° |
| N2 | C8 | C10 | 109.6° | 109.4° |
| N2 | C8 | H12 | 110.4° | 109.4° |
| C8 | N2 | C6 | 120.8° | 120.0° |
| H11 | N2 | C6 | 119.6° | 120.0° |
| C9 | C8 | C10 | 108.2° | 109.5° |
| C9 | C8 | H12 | 109.1° | 109.5° |
| C8 | C9 | O5 | 121.4° | 120.0° |
| C8 | C9 | N3 | 116.7° | 120.0° |
| C10 | C8 | H12 | 109.9° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.4° | 109.4° |
| O5 | C9 | N3 | 121.8° | 120.0° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| C11 | N3 | C15 | 113.2° | 108.7° |
| N3 | C11 | C12 | 112.6° | 109.9° |
| N3 | C11 | C13 | 103.6° | 107.3° |
| N3 | C11 | H16 | 110.4° | 109.9° |
| C11 | N3 | C9 | 120.0° | 125.6° |
| N3 | C15 | C14 | 98.5° | 104.7° |
| N3 | C15 | H21 | 112.2° | 110.3° |
| N3 | C15 | H22 | 112.2° | 110.4° |
| C15 | N3 | C9 | 126.8° | 125.7° |
| C12 | C11 | C13 | 110.5° | 109.9° |
| C12 | C11 | H16 | 109.7° | 109.9° |
| C11 | C12 | O6 | 119.9° | 120.0° |
| C11 | C12 | N4 | 118.0° | 120.0° |
| C13 | C11 | H16 | 109.9° | 110.0° |
| C11 | C13 | C14 | 104.0° | 102.9° |
| C11 | C13 | H17 | 110.8° | 110.7° |
| C11 | C13 | H18 | 110.8° | 110.7° |
| O6 | C12 | N4 | 122.1° | 120.0° |
| C14 | C13 | H17 | 110.8° | 110.8° |
| C14 | C13 | H18 | 110.8° | 110.7° |
| C13 | C14 | C15 | 108.1° | 101.5° |
| C13 | C14 | H19 | 109.8° | 111.0° |
| C13 | C14 | H20 | 109.8° | 111.0° |
| H17 | C13 | H18 | 109.5° | 110.7° |
| C15 | C14 | H19 | 109.8° | 111.3° |
| C15 | C14 | H20 | 109.8° | 110.9° |
| C14 | C15 | H21 | 112.1° | 110.5° |
| C14 | C15 | H22 | 112.1° | 110.3° |
| H19 | C14 | H20 | 109.5° | 110.8° |
| H21 | C15 | H22 | 109.5° | 110.5° |
| C16 | N4 | H23 | 118.6° | 120.0° |
| N4 | C16 | C17 | 112.8° | 109.5° |
| N4 | C16 | C18 | 109.1° | 109.4° |
| N4 | C16 | H24 | 110.3° | 109.5° |
| C16 | N4 | C12 | 122.9° | 120.0° |
| H23 | N4 | C12 | 118.6° | 120.0° |
| C17 | C16 | C18 | 105.9° | 109.5° |
| C17 | C16 | H24 | 109.2° | 109.5° |
| C16 | C17 | O7 | 119.9° | 120.0° |
| C16 | C17 | O8 | 106.4° | 120.0° |
| C18 | C16 | H24 | 109.4° | 109.4° |
| C16 | C18 | C19 | 112.0° | 109.5° |
| C16 | C18 | H25 | 108.9° | 109.4° |
| C16 | C18 | H26 | 108.9° | 109.5° |
| O7 | C17 | O8 | 30.0° | 120.0° |
| C17 | O8 | H36 | 90.0° | 117.0° |
| C19 | C18 | H25 | 108.8° | 109.5° |
| C19 | C18 | H26 | 108.8° | 109.5° |
| C18 | C19 | C20 | 104.7° | 109.5° |
| C18 | C19 | H27 | 110.7° | 109.4° |
| C18 | C19 | H28 | 110.6° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| C20 | C19 | H27 | 110.7° | 109.5° |
| C20 | C19 | H28 | 110.6° | 109.5° |
| C19 | C20 | C21 | 113.3° | 109.5° |
| C19 | C20 | H29 | 108.5° | 109.5° |
| C19 | C20 | H30 | 108.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.4° |
| C21 | C20 | H29 | 108.5° | 109.5° |
| C21 | C20 | H30 | 108.5° | 109.4° |
| C20 | C21 | N5 | 110.2° | 109.5° |
| C20 | C21 | H31 | 109.3° | 109.5° |
| C20 | C21 | H32 | 109.3° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| N5 | C21 | H31 | 109.3° | 109.5° |
| N5 | C21 | H32 | 109.3° | 109.5° |
| C21 | N5 | H33 | 109.5° | 109.5° |
| C21 | N5 | H34 | 109.5° | 109.5° |
| C21 | N5 | H35 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| H33 | N5 | H34 | 109.5° | 109.5° |
| H33 | N5 | H35 | 109.4° | 109.4° |
| H34 | N5 | H35 | 109.5° | 109.5° |
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° | 0.0° |
| O1 | C1 | C2 | C3 | 90.0° | 0.1° |
| O1 | C1 | C2 | H2 | 90.0° | 120.1° |
| 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° | 59.6° |
| C2 | C1 | O2 | H1 | 90.0° | 179.7° |
| C1 | C2 | C3 | H2 | 90.0° | 120.0° |
| C1 | C2 | C3 | H3 | 90.0° | 120.1° |
| 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° | 119.9° |
| C2 | C3 | C4 | H5 | 90.0° | 120.0° |
| C2 | C3 | H4 | H5 | 90.0° | 120.0° |
| C2 | C3 | C4 | O3 | 90.0° | 0.1° |
| C2 | C3 | C4 | N1 | 90.0° | 180.0° |
| H2 | C2 | C3 | C4 | 90.0° | 60.0° |
| H2 | C2 | C3 | H4 | 90.0° | 180.0° |
| H2 | C2 | C3 | H5 | 90.0° | 60.0° |
| H3 | C2 | C3 | C4 | 90.0° | 59.9° |
| H3 | C2 | C3 | H4 | 90.0° | 60.0° |
| H3 | C2 | C3 | H5 | 90.0° | 180.0° |
| C4 | C3 | H4 | H5 | 90.0° | 120.1° |
| C3 | C4 | O3 | N1 | 107.5° | 180.0° |
| C3 | C4 | N1 | C5 | 45.9° | 180.0° |
| C3 | C4 | N1 | H6 | 134.1° | 0.0° |
| H4 | C3 | C4 | O3 | 90.0° | 120.0° |
| H4 | C3 | C4 | N1 | 90.0° | 60.0° |
| H5 | C3 | C4 | O3 | 90.0° | 119.9° |
| H5 | C3 | C4 | N1 | 90.0° | 60.0° |
| O3 | C4 | N1 | C5 | 4.6° | 0.0° |
| O3 | C4 | N1 | H6 | 175.4° | 180.0° |
| C5 | N1 | H6 | C4 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 122.3° | 120.0° |
| N1 | C5 | C6 | H7 | 119.5° | 120.0° |
| N1 | C5 | C7 | H7 | 119.3° | 120.0° |
| N1 | C5 | C6 | O4 | 49.5° | 0.0° |
| N1 | C5 | C7 | H8 | 180.0° | 60.0° |
| N1 | C5 | C7 | H9 | 60.0° | 180.0° |
| N1 | C5 | C7 | H10 | 60.0° | 60.0° |
| N1 | C5 | C6 | N2 | 131.2° | 180.0° |
| H6 | N1 | C5 | C6 | 117.6° | 25.0° |
| H6 | N1 | C5 | C7 | 3.9° | 95.0° |
| H6 | N1 | C5 | H7 | 123.2° | 145.0° |
| C6 | C5 | C7 | H7 | 117.9° | 120.0° |
| C5 | C6 | O4 | N2 | 179.3° | 180.0° |
| C6 | C5 | C7 | H8 | 57.3° | 60.0° |
| C6 | C5 | C7 | H9 | 177.3° | 60.0° |
| C6 | C5 | C7 | H10 | 62.8° | 180.0° |
| C5 | C6 | N2 | C8 | 179.6° | 180.0° |
| C5 | C6 | N2 | H11 | 0.4° | 0.0° |
| C6 | C5 | N1 | C4 | 62.4° | 155.0° |
| C7 | C5 | C6 | O4 | 72.9° | 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 | 176.1° | 85.0° |
| C7 | C5 | C6 | N2 | 106.4° | 60.0° |
| H7 | C5 | C6 | O4 | 168.9° | 120.0° |
| H7 | C5 | C7 | H8 | 60.6° | 180.0° |
| H7 | C5 | C7 | H9 | 59.4° | 60.0° |
| H7 | C5 | C7 | H10 | 179.3° | 60.0° |
| H7 | C5 | N1 | C4 | 56.8° | 35.0° |
| H7 | C5 | C6 | N2 | 11.8° | 60.0° |
| O4 | C6 | N2 | C8 | 0.3° | 0.1° |
| O4 | C6 | N2 | H11 | 179.7° | 180.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| C8 | N2 | H11 | C6 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 119.5° | 120.0° |
| N2 | C8 | C9 | H12 | 121.0° | 120.0° |
| N2 | C8 | C10 | H12 | 121.6° | 119.9° |
| N2 | C8 | C9 | O5 | 33.7° | 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 | 151.0° | 154.6° |
| H11 | N2 | C8 | C9 | 26.6° | 24.9° |
| H11 | N2 | C8 | C10 | 92.0° | 95.0° |
| H11 | N2 | C8 | H12 | 146.8° | 145.0° |
| C9 | C8 | C10 | H12 | 119.1° | 120.1° |
| C8 | C9 | O5 | N3 | 175.0° | 179.9° |
| C9 | C8 | C10 | H13 | 60.6° | 55.0° |
| C9 | C8 | C10 | H14 | 179.4° | 65.0° |
| C9 | C8 | C10 | H15 | 59.4° | 175.0° |
| C8 | C9 | N3 | C11 | 173.8° | 175.4° |
| C8 | C9 | N3 | C15 | 6.5° | 4.4° |
| C9 | C8 | N2 | C6 | 153.3° | 155.0° |
| C10 | C8 | C9 | O5 | 85.7° | 94.7° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 119.9° | 119.9° |
| C10 | C8 | N2 | C6 | 88.1° | 85.0° |
| C10 | C8 | C9 | N3 | 89.5° | 85.4° |
| H12 | C8 | C9 | O5 | 154.7° | 145.2° |
| H12 | C8 | C10 | H13 | 58.5° | 175.1° |
| H12 | C8 | C10 | H14 | 61.6° | 55.0° |
| H12 | C8 | C10 | H15 | 178.4° | 64.9° |
| H12 | C8 | N2 | C6 | 33.2° | 35.0° |
| H12 | C8 | C9 | N3 | 30.0° | 34.7° |
| O5 | C9 | N3 | C11 | 1.5° | 4.5° |
| O5 | C9 | N3 | C15 | 178.3° | 175.7° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| C11 | N3 | C15 | C9 | 179.7° | 179.8° |
| N3 | C11 | C12 | C13 | 115.3° | 117.8° |
| N3 | C11 | C12 | H16 | 123.4° | 121.0° |
| N3 | C11 | C13 | H16 | 118.0° | 119.5° |
| N3 | C11 | C12 | O6 | 31.0° | 0.0° |
| N3 | C11 | C13 | C14 | 19.8° | 22.2° |
| N3 | C11 | C13 | H17 | 99.3° | 140.6° |
| N3 | C11 | C13 | H18 | 138.9° | 96.2° |
| C11 | N3 | C15 | C14 | 21.6° | 24.4° |
| C11 | N3 | C15 | H21 | 139.8° | 94.5° |
| C11 | N3 | C15 | H22 | 96.6° | 143.1° |
| N3 | C11 | C12 | N4 | 151.4° | 180.0° |
| C15 | N3 | C11 | C12 | 117.5° | 120.7° |
| C15 | N3 | C11 | C13 | 1.9° | 1.3° |
| C15 | N3 | C11 | H16 | 119.5° | 118.3° |
| N3 | C15 | C14 | C13 | 34.3° | 37.3° |
| N3 | C15 | C14 | H21 | 118.2° | 118.8° |
| N3 | C15 | C14 | H22 | 118.2° | 118.7° |
| N3 | C15 | C14 | H19 | 154.1° | 80.8° |
| N3 | C15 | C14 | H20 | 85.5° | 155.3° |
| N3 | C15 | H21 | H22 | 125.1° | 122.3° |
| C12 | C11 | C13 | H16 | 121.2° | 121.1° |
| C11 | C12 | O6 | N4 | 177.4° | 180.0° |
| C12 | C11 | C13 | C14 | 140.6° | 97.2° |
| C12 | C11 | C13 | H17 | 21.5° | 21.2° |
| C12 | C11 | C13 | H18 | 100.3° | 144.4° |
| C11 | C12 | N4 | C16 | 177.9° | 180.0° |
| C11 | C12 | N4 | H23 | 2.1° | 0.0° |
| C12 | C11 | N3 | C9 | 62.7° | 59.5° |
| C13 | C11 | C12 | O6 | 84.3° | 117.8° |
| C11 | C13 | C14 | H17 | 119.1° | 118.4° |
| C11 | C13 | C14 | H18 | 119.1° | 118.4° |
| C11 | C13 | H17 | H18 | 122.6° | 123.2° |
| C11 | C13 | C14 | C15 | 35.0° | 35.7° |
| C11 | C13 | C14 | H19 | 154.8° | 82.6° |
| C11 | C13 | C14 | H20 | 84.8° | 153.6° |
| C13 | C11 | N3 | C9 | 177.9° | 178.9° |
| C13 | C11 | C12 | N4 | 93.3° | 62.2° |
| H16 | C11 | C12 | O6 | 154.4° | 121.0° |
| H16 | C11 | C13 | C14 | 98.2° | 141.7° |
| H16 | C11 | C13 | H17 | 142.7° | 99.9° |
| H16 | C11 | C13 | H18 | 20.9° | 23.3° |
| H16 | C11 | N3 | C9 | 60.3° | 61.5° |
| H16 | C11 | C12 | N4 | 28.0° | 59.0° |
| O6 | C12 | N4 | C16 | 0.4° | 0.0° |
| O6 | C12 | N4 | H23 | 179.6° | 180.0° |
| C14 | C13 | H17 | H18 | 122.5° | 123.2° |
| C13 | C14 | C15 | H19 | 119.8° | 118.1° |
| C13 | C14 | C15 | H20 | 119.8° | 118.0° |
| C13 | C14 | H19 | H20 | 120.7° | 123.8° |
| C13 | C14 | C15 | H21 | 152.5° | 81.5° |
| C13 | C14 | C15 | H22 | 83.9° | 156.0° |
| H17 | C13 | C14 | C15 | 84.1° | 154.1° |
| H17 | C13 | C14 | H19 | 35.6° | 35.7° |
| H17 | C13 | C14 | H20 | 156.1° | 88.0° |
| H18 | C13 | C14 | C15 | 154.1° | 82.7° |
| H18 | C13 | C14 | H19 | 86.1° | 159.0° |
| H18 | C13 | C14 | H20 | 34.3° | 35.2° |
| C15 | C14 | H19 | H20 | 120.7° | 123.9° |
| C14 | C15 | H21 | H22 | 125.1° | 122.4° |
| C14 | C15 | N3 | C9 | 158.2° | 155.8° |
| H19 | C14 | C15 | H21 | 87.7° | 160.4° |
| H19 | C14 | C15 | H22 | 35.9° | 37.9° |
| H20 | C14 | C15 | H21 | 32.7° | 36.5° |
| H20 | C14 | C15 | H22 | 156.3° | 86.0° |
| H21 | C15 | N3 | C9 | 40.0° | 85.3° |
| H22 | C15 | N3 | C9 | 83.7° | 37.1° |
| C16 | N4 | H23 | C12 | 180.0° | 180.0° |
| N4 | C16 | C17 | C18 | 119.3° | 120.0° |
| N4 | C16 | C17 | H24 | 123.0° | 120.0° |
| N4 | C16 | C18 | H24 | 120.8° | 120.0° |
| N4 | C16 | C17 | O7 | 158.7° | 0.1° |
| N4 | C16 | C17 | O8 | 171.9° | 180.0° |
| N4 | C16 | C18 | C19 | 69.9° | 65.0° |
| N4 | C16 | C18 | H25 | 50.5° | 55.0° |
| N4 | C16 | C18 | H26 | 169.7° | 175.0° |
| H23 | N4 | C16 | C17 | 64.7° | 95.0° |
| H23 | N4 | C16 | C18 | 52.7° | 25.0° |
| H23 | N4 | C16 | H24 | 173.0° | 145.0° |
| C17 | C16 | C18 | H24 | 117.5° | 120.0° |
| C16 | C17 | O7 | O8 | 70.0° | 179.9° |
| C17 | C16 | C18 | C19 | 168.4° | 175.0° |
| C17 | C16 | C18 | H25 | 71.2° | 65.0° |
| C17 | C16 | C18 | H26 | 48.0° | 54.9° |
| C16 | C17 | O8 | H36 | 90.0° | 180.0° |
| C17 | C16 | N4 | C12 | 115.3° | 85.0° |
| C18 | C16 | C17 | O7 | 82.0° | 120.1° |
| C18 | C16 | C17 | O8 | 52.6° | 60.0° |
| C16 | C18 | C19 | H25 | 120.4° | 120.0° |
| C16 | C18 | C19 | H26 | 120.4° | 120.1° |
| C16 | C18 | H25 | H26 | 118.9° | 120.0° |
| C16 | C18 | C19 | C20 | 177.9° | 180.0° |
| C16 | C18 | C19 | H27 | 58.6° | 60.0° |
| C16 | C18 | C19 | H28 | 62.9° | 59.9° |
| C18 | C16 | N4 | C12 | 127.3° | 155.0° |
| H24 | C16 | C17 | O7 | 35.7° | 120.0° |
| H24 | C16 | C17 | O8 | 65.1° | 60.0° |
| H24 | C16 | C18 | C19 | 50.9° | 55.0° |
| H24 | C16 | C18 | H25 | 171.3° | 175.0° |
| H24 | C16 | C18 | H26 | 69.5° | 65.1° |
| H24 | C16 | N4 | C12 | 7.0° | 35.0° |
| O7 | C17 | O8 | H36 | 90.0° | 0.0° |
| C19 | C18 | H25 | H26 | 118.8° | 120.0° |
| C18 | C19 | C20 | H27 | 119.2° | 120.0° |
| C18 | C19 | C20 | H28 | 119.2° | 120.1° |
| C18 | C19 | H27 | H28 | 122.2° | 120.0° |
| C18 | C19 | C20 | C21 | 178.6° | 179.9° |
| C18 | C19 | C20 | H29 | 58.0° | 60.0° |
| C18 | C19 | C20 | H30 | 60.9° | 60.0° |
| H25 | C18 | C19 | C20 | 61.8° | 60.0° |
| H25 | C18 | C19 | H27 | 179.0° | 180.0° |
| H25 | C18 | C19 | H28 | 57.5° | 60.0° |
| H26 | C18 | C19 | C20 | 57.5° | 60.0° |
| H26 | C18 | C19 | H27 | 61.8° | 60.1° |
| H26 | C18 | C19 | H28 | 176.7° | 180.0° |
| C20 | C19 | H27 | H28 | 122.2° | 120.0° |
| C19 | C20 | C21 | H29 | 120.6° | 120.1° |
| C19 | C20 | C21 | H30 | 120.6° | 120.0° |
| C19 | C20 | H29 | H30 | 118.3° | 120.0° |
| C19 | C20 | C21 | N5 | 168.9° | 180.0° |
| C19 | C20 | C21 | H31 | 70.9° | 59.9° |
| C19 | C20 | C21 | H32 | 48.8° | 60.0° |
| H27 | C19 | C20 | C21 | 62.2° | 60.0° |
| H27 | C19 | C20 | H29 | 177.2° | 180.0° |
| H27 | C19 | C20 | H30 | 58.4° | 60.0° |
| H28 | C19 | C20 | C21 | 59.3° | 60.0° |
| H28 | C19 | C20 | H29 | 61.2° | 60.0° |
| H28 | C19 | C20 | H30 | 179.9° | 179.9° |
| C21 | C20 | H29 | H30 | 118.3° | 119.9° |
| C20 | C21 | N5 | H31 | 120.1° | 120.0° |
| C20 | C21 | N5 | H32 | 120.1° | 120.0° |
| C20 | C21 | H31 | H32 | 119.7° | 119.9° |
| C20 | C21 | N5 | H33 | 180.0° | 60.0° |
| C20 | C21 | N5 | H34 | 60.0° | 180.0° |
| C20 | C21 | N5 | H35 | 60.0° | 60.0° |
| H29 | C20 | C21 | N5 | 48.4° | 59.9° |
| H29 | C20 | C21 | H31 | 168.5° | NaN° |
| H29 | C20 | C21 | H32 | 71.7° | 60.1° |
| H30 | C20 | C21 | N5 | 70.5° | 60.0° |
| H30 | C20 | C21 | H31 | 49.6° | 60.1° |
| H30 | C20 | C21 | H32 | 169.4° | 180.0° |
| N5 | C21 | H31 | H32 | 119.7° | 120.0° |
| C21 | N5 | H33 | H34 | 120.0° | 120.0° |
| C21 | N5 | H33 | H35 | 120.0° | 120.0° |
| C21 | N5 | H34 | H35 | 120.0° | 120.0° |
| H31 | C21 | N5 | H33 | 59.9° | 60.1° |
| H31 | C21 | N5 | H34 | 179.9° | 60.0° |
| H31 | C21 | N5 | H35 | 60.1° | 180.0° |
| H32 | C21 | N5 | H33 | 59.9° | 179.9° |
| H32 | C21 | N5 | H34 | 60.1° | 60.0° |
| H32 | C21 | N5 | H35 | 179.9° | 60.0° |
| H33 | N5 | H34 | H35 | 119.9° | 119.9° |
