PRD_000771
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| 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 | 1.47Å | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.51Å | 1.56Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | doub | 1.21Å | 1.24Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | C7 | sing | 1.46Å | 1.49Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | doub | 1.21Å | 1.24Å | |
| C9 | O5 | sing | 1.43Å | 1.42Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| N4 | C10 | sing | 1.47Å | 1.48Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.58Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.24Å | |
| C12 | O7 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O7 | H18 | sing | 0.97Å | 0.95Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N5 | C14 | sing | 1.47Å | 1.47Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | O8 | doub | 1.21Å | 1.25Å | |
| C16 | O9 | sing | 1.43Å | 1.42Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| O9 | H26 | sing | 0.97Å | 0.95Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | O10 | sing | 1.43Å | 1.43Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| N6 | C18 | sing | 1.47Å | 1.47Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| O10 | H30 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| O11 | C20 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C20 | N7 | sing | 1.35Å | 1.33Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.30Å | |
| C4 | N3 | sing | 1.35Å | 1.34Å | |
| C8 | N4 | sing | 1.35Å | 1.34Å | |
| C11 | N5 | sing | 1.35Å | 1.34Å | |
| C15 | N6 | sing | 1.35Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.8° | 120.0° |
| O1 | C1 | N1 | 121.7° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.4° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.4° |
| C2 | C1 | N1 | 114.8° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.2° | 120.0° |
| N1 | C3 | C4 | 111.9° | 109.5° |
| N1 | C3 | C5 | 111.1° | 109.5° |
| N1 | C3 | H5 | 107.6° | 109.5° |
| C3 | N1 | C1 | 123.6° | 120.0° |
| H4 | N1 | C1 | 118.2° | 120.0° |
| C4 | C3 | C5 | 112.6° | 109.5° |
| C4 | C3 | H5 | 106.7° | 109.5° |
| C3 | C4 | O2 | 119.8° | 120.0° |
| C3 | C4 | N3 | 117.8° | 120.0° |
| C5 | C3 | H5 | 106.7° | 109.5° |
| C3 | C5 | C6 | 113.4° | 109.5° |
| C3 | C5 | H6 | 108.5° | 109.5° |
| C3 | C5 | H7 | 108.5° | 109.5° |
| O2 | C4 | N3 | 122.5° | 120.0° |
| C6 | C5 | H6 | 108.5° | 109.4° |
| C6 | C5 | H7 | 108.5° | 109.5° |
| C5 | C6 | O3 | 120.8° | 120.0° |
| C5 | C6 | N2 | 116.9° | 120.0° |
| H6 | C5 | H7 | 109.4° | 109.4° |
| O3 | C6 | N2 | 122.3° | 120.0° |
| C6 | N2 | H8 | 120.0° | 120.0° |
| C6 | N2 | H9 | 120.0° | 119.9° |
| H8 | N2 | H9 | 120.0° | 120.0° |
| C7 | N3 | H10 | 118.5° | 120.0° |
| N3 | C7 | C8 | 114.7° | 109.5° |
| N3 | C7 | C9 | 110.8° | 109.5° |
| N3 | C7 | H11 | 107.2° | 109.5° |
| C7 | N3 | C4 | 122.9° | 120.0° |
| H10 | N3 | C4 | 118.6° | 120.0° |
| C8 | C7 | C9 | 110.5° | 109.5° |
| C8 | C7 | H11 | 106.6° | 109.4° |
| C7 | C8 | O4 | 120.5° | 120.0° |
| C7 | C8 | N4 | 116.2° | 120.0° |
| C9 | C7 | H11 | 106.7° | 109.5° |
| C7 | C9 | O5 | 111.5° | 109.5° |
| C7 | C9 | H12 | 109.0° | 109.5° |
| C7 | C9 | H13 | 108.9° | 109.4° |
| O4 | C8 | N4 | 123.3° | 120.1° |
| O5 | C9 | H12 | 108.9° | 109.5° |
| O5 | C9 | H13 | 109.0° | 109.5° |
| C9 | O5 | H14 | 109.5° | 114.0° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| C10 | N4 | H15 | 118.6° | 120.0° |
| N4 | C10 | C11 | 112.6° | 109.4° |
| N4 | C10 | C12 | 113.5° | 109.5° |
| N4 | C10 | H16 | 108.3° | 109.5° |
| C10 | N4 | C8 | 122.9° | 119.9° |
| H15 | N4 | C8 | 118.5° | 120.0° |
| C11 | C10 | C12 | 107.4° | 109.5° |
| C11 | C10 | H16 | 107.6° | 109.4° |
| C10 | C11 | O6 | 120.6° | 120.0° |
| C10 | C11 | N5 | 116.2° | 120.0° |
| C12 | C10 | H16 | 107.1° | 109.5° |
| C10 | C12 | O7 | 111.0° | 109.5° |
| C10 | C12 | C13 | 111.2° | 109.4° |
| C10 | C12 | H17 | 107.5° | 109.5° |
| O6 | C11 | N5 | 123.2° | 120.0° |
| O7 | C12 | C13 | 109.7° | 109.5° |
| O7 | C12 | H17 | 109.4° | 109.4° |
| C12 | O7 | H18 | 109.5° | 114.0° |
| C13 | C12 | H17 | 107.9° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.4° |
| C12 | C13 | H20 | 109.5° | 109.4° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H19 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| C14 | N5 | H22 | 118.5° | 120.0° |
| N5 | C14 | C15 | 109.8° | 109.5° |
| N5 | C14 | C16 | 110.7° | 109.5° |
| N5 | C14 | H23 | 109.7° | 109.5° |
| C14 | N5 | C11 | 122.9° | 120.0° |
| H22 | N5 | C11 | 118.5° | 120.0° |
| C15 | C14 | C16 | 108.8° | 109.5° |
| C15 | C14 | H23 | 108.9° | 109.5° |
| C14 | C15 | O8 | 120.0° | 120.0° |
| C14 | C15 | N6 | 131.4° | 120.0° |
| C16 | C14 | H23 | 108.9° | 109.5° |
| C14 | C16 | O9 | 111.9° | 109.5° |
| C14 | C16 | H24 | 108.9° | 109.4° |
| C14 | C16 | H25 | 108.9° | 109.5° |
| O8 | C15 | N6 | 102.0° | 120.0° |
| O9 | C16 | H24 | 108.8° | 109.5° |
| O9 | C16 | H25 | 108.9° | 109.5° |
| C16 | O9 | H26 | 109.5° | 114.0° |
| H24 | C16 | H25 | 109.5° | 109.4° |
| C18 | C17 | O10 | 111.9° | 109.4° |
| C18 | C17 | H27 | 108.8° | 109.5° |
| C18 | C17 | H28 | 108.8° | 109.5° |
| C17 | C18 | N6 | 109.6° | 109.4° |
| C17 | C18 | C19 | 111.3° | 109.5° |
| C17 | C18 | H31 | 107.5° | 109.4° |
| O10 | C17 | H27 | 108.9° | 109.5° |
| O10 | C17 | H28 | 108.8° | 109.5° |
| C17 | O10 | H30 | 109.5° | 113.9° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| C18 | N6 | H29 | 115.9° | 120.0° |
| N6 | C18 | C19 | 112.1° | 109.5° |
| N6 | C18 | H31 | 108.4° | 109.5° |
| C18 | N6 | C15 | 128.3° | 120.0° |
| H29 | N6 | C15 | 115.8° | 120.0° |
| C19 | C18 | H31 | 107.7° | 109.5° |
| C18 | C19 | C21 | 109.5° | 109.5° |
| C18 | C19 | H32 | 109.4° | 109.4° |
| C18 | C19 | H33 | 109.5° | 109.5° |
| C21 | C19 | H32 | 109.5° | 109.5° |
| C21 | C19 | H33 | 109.4° | 109.5° |
| C19 | C21 | C20 | 109.2° | 109.5° |
| C19 | C21 | H34 | 109.6° | 109.4° |
| C19 | C21 | H35 | 109.5° | 109.4° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| O11 | C20 | C21 | 120.0° | 120.0° |
| O11 | C20 | N7 | 124.9° | 120.0° |
| C21 | C20 | N7 | 115.1° | 119.9° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.6° | 109.5° |
| C20 | N7 | H36 | 120.0° | 120.1° |
| C20 | N7 | H37 | 120.0° | 120.0° |
| H34 | C21 | H35 | 109.4° | 109.5° |
| H36 | N7 | H37 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 165.1° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.1° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 72.6° | 4.6° |
| O1 | C1 | N1 | H4 | 107.4° | 175.4° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 122.2° | 175.1° |
| C2 | C1 | N1 | H4 | 57.8° | 4.9° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 165.1° | 89.7° |
| H2 | C2 | C1 | N1 | 45.1° | 30.3° |
| H3 | C2 | C1 | N1 | 74.9° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 125.9° | 120.0° |
| N1 | C3 | C4 | H5 | 117.4° | 120.0° |
| N1 | C3 | C5 | H5 | 117.0° | 120.0° |
| N1 | C3 | C4 | O2 | 21.7° | 0.0° |
| N1 | C3 | C5 | C6 | 64.6° | 63.8° |
| N1 | C3 | C5 | H6 | 56.0° | 56.1° |
| N1 | C3 | C5 | H7 | 174.8° | 176.1° |
| N1 | C3 | C4 | N3 | 159.0° | 180.0° |
| H4 | N1 | C3 | C4 | 59.0° | 94.7° |
| H4 | N1 | C3 | C5 | 67.7° | 25.3° |
| H4 | N1 | C3 | H5 | 175.8° | 145.3° |
| C4 | C3 | C5 | H5 | 116.6° | 120.0° |
| C3 | C4 | O2 | N3 | 179.3° | 180.0° |
| C4 | C3 | C5 | C6 | 169.1° | 176.1° |
| C4 | C3 | C5 | H6 | 70.3° | 63.9° |
| C4 | C3 | C5 | H7 | 48.5° | 56.1° |
| C3 | C4 | N3 | C7 | 180.0° | 180.0° |
| C3 | C4 | N3 | H10 | 0.0° | 0.0° |
| C4 | C3 | N1 | C1 | 121.0° | 85.3° |
| C5 | C3 | C4 | O2 | 147.6° | 120.0° |
| C3 | C5 | C6 | H6 | 120.6° | 120.0° |
| C3 | C5 | C6 | H7 | 120.6° | 120.1° |
| C3 | C5 | H6 | H7 | 118.2° | 120.0° |
| C3 | C5 | C6 | O3 | 129.6° | 5.6° |
| C3 | C5 | C6 | N2 | 51.6° | 174.4° |
| C5 | C3 | N1 | C1 | 112.3° | 154.7° |
| C5 | C3 | C4 | N3 | 33.1° | 60.0° |
| H5 | C3 | C4 | O2 | 95.8° | 120.0° |
| H5 | C3 | C5 | C6 | 52.5° | 56.2° |
| H5 | C3 | C5 | H6 | 173.1° | 176.1° |
| H5 | C3 | C5 | H7 | 68.1° | 63.9° |
| H5 | C3 | N1 | C1 | 4.2° | 34.7° |
| H5 | C3 | C4 | N3 | 83.6° | 60.0° |
| O2 | C4 | N3 | C7 | 0.6° | 0.0° |
| O2 | C4 | N3 | H10 | 179.4° | 180.0° |
| C6 | C5 | H6 | H7 | 118.2° | 120.0° |
| C5 | C6 | O3 | N2 | 178.8° | 180.0° |
| C5 | C6 | N2 | H8 | 178.9° | 0.0° |
| C5 | C6 | N2 | H9 | 1.1° | 180.0° |
| H6 | C5 | C6 | O3 | 9.0° | 125.6° |
| H6 | C5 | C6 | N2 | 172.2° | 54.4° |
| H7 | C5 | C6 | O3 | 109.8° | 114.5° |
| H7 | C5 | C6 | N2 | 69.0° | 65.5° |
| O3 | C6 | N2 | H8 | 0.0° | 180.0° |
| O3 | C6 | N2 | H9 | 180.0° | 0.0° |
| C6 | N2 | H8 | H9 | 180.0° | 180.0° |
| C7 | N3 | H10 | C4 | 180.0° | 180.0° |
| N3 | C7 | C8 | C9 | 126.1° | 120.0° |
| N3 | C7 | C8 | H11 | 118.4° | 120.0° |
| N3 | C7 | C9 | H11 | 116.3° | 120.0° |
| N3 | C7 | C8 | O4 | 29.3° | 0.0° |
| N3 | C7 | C9 | O5 | 30.6° | 65.0° |
| N3 | C7 | C9 | H12 | 150.9° | 175.0° |
| N3 | C7 | C9 | H13 | 89.7° | 55.0° |
| N3 | C7 | C8 | N4 | 150.1° | 180.0° |
| H10 | N3 | C7 | C8 | 38.1° | 25.0° |
| H10 | N3 | C7 | C9 | 87.8° | 95.0° |
| H10 | N3 | C7 | H11 | 156.2° | 145.0° |
| C8 | C7 | C9 | H11 | 115.4° | 119.9° |
| C7 | C8 | O4 | N4 | 179.4° | 180.0° |
| C8 | C7 | C9 | O5 | 97.7° | 55.0° |
| C8 | C7 | C9 | H12 | 22.6° | 65.0° |
| C8 | C7 | C9 | H13 | 142.0° | 175.0° |
| C7 | C8 | N4 | C10 | 174.1° | 180.0° |
| C7 | C8 | N4 | H15 | 6.0° | 0.0° |
| C8 | C7 | N3 | C4 | 141.9° | 155.0° |
| C9 | C7 | C8 | O4 | 96.8° | 120.0° |
| C7 | C9 | O5 | H12 | 120.3° | 120.0° |
| C7 | C9 | O5 | H13 | 120.3° | 120.0° |
| C7 | C9 | H12 | H13 | 119.1° | 120.0° |
| C7 | C9 | O5 | H14 | 180.0° | 180.0° |
| C9 | C7 | N3 | C4 | 92.2° | 85.0° |
| C9 | C7 | C8 | N4 | 83.8° | 60.0° |
| H11 | C7 | C8 | O4 | 147.7° | 120.0° |
| H11 | C7 | C9 | O5 | 146.9° | 175.0° |
| H11 | C7 | C9 | H12 | 92.8° | 55.0° |
| H11 | C7 | C9 | H13 | 26.6° | 65.0° |
| H11 | C7 | N3 | C4 | 23.8° | 35.0° |
| H11 | C7 | C8 | N4 | 31.7° | 60.0° |
| O4 | C8 | N4 | C10 | 6.5° | 0.0° |
| O4 | C8 | N4 | H15 | 173.5° | 180.0° |
| O5 | C9 | H12 | H13 | 119.1° | 120.0° |
| H12 | C9 | O5 | H14 | 59.7° | 60.0° |
| H13 | C9 | O5 | H14 | 59.7° | 60.0° |
| C10 | N4 | H15 | C8 | 180.0° | 180.0° |
| N4 | C10 | C11 | C12 | 125.7° | 120.0° |
| N4 | C10 | C11 | H16 | 119.3° | 120.0° |
| N4 | C10 | C12 | H16 | 119.5° | 120.1° |
| N4 | C10 | C11 | O6 | 74.7° | 16.3° |
| N4 | C10 | C12 | O7 | 36.9° | 59.0° |
| N4 | C10 | C12 | C13 | 159.3° | 61.1° |
| N4 | C10 | C12 | H17 | 82.7° | 178.9° |
| N4 | C10 | C11 | N5 | 105.9° | 163.7° |
| H15 | N4 | C10 | C11 | 95.4° | 25.0° |
| H15 | N4 | C10 | C12 | 26.9° | 94.9° |
| H15 | N4 | C10 | H16 | 145.7° | 145.0° |
| C11 | C10 | C12 | H16 | 115.3° | 120.0° |
| C10 | C11 | O6 | N5 | 179.4° | 180.0° |
| C11 | C10 | C12 | O7 | 162.1° | 61.0° |
| C11 | C10 | C12 | C13 | 75.5° | 179.0° |
| C11 | C10 | C12 | H17 | 42.5° | 59.0° |
| C10 | C11 | N5 | C14 | 164.1° | 175.3° |
| C10 | C11 | N5 | H22 | 15.9° | 4.8° |
| C11 | C10 | N4 | C8 | 84.6° | 155.0° |
| C12 | C10 | C11 | O6 | 51.0° | 103.7° |
| C10 | C12 | O7 | C13 | 123.3° | 120.0° |
| C10 | C12 | O7 | H17 | 118.5° | 120.0° |
| C10 | C12 | C13 | H17 | 117.7° | 120.0° |
| C10 | C12 | O7 | H18 | 180.0° | 60.0° |
| C10 | C12 | C13 | H19 | 180.0° | 66.6° |
| C10 | C12 | C13 | H20 | 60.0° | 173.4° |
| C10 | C12 | C13 | H21 | 60.0° | 53.4° |
| C12 | C10 | N4 | C8 | 153.1° | 85.0° |
| C12 | C10 | C11 | N5 | 128.4° | 76.3° |
| H16 | C10 | C11 | O6 | 166.0° | 136.3° |
| H16 | C10 | C12 | O7 | 82.6° | 179.0° |
| H16 | C10 | C12 | C13 | 39.8° | 59.0° |
| H16 | C10 | C12 | H17 | 157.8° | 61.0° |
| H16 | C10 | N4 | C8 | 34.3° | 35.1° |
| H16 | C10 | C11 | N5 | 13.4° | 43.7° |
| O6 | C11 | N5 | C14 | 15.3° | 4.7° |
| O6 | C11 | N5 | H22 | 164.7° | 175.2° |
| O7 | C12 | C13 | H17 | 119.1° | 120.0° |
| O7 | C12 | C13 | H19 | 56.8° | 53.4° |
| O7 | C12 | C13 | H20 | 176.8° | 66.5° |
| O7 | C12 | C13 | H21 | 63.2° | 173.4° |
| C13 | C12 | O7 | H18 | 56.7° | 179.9° |
| C12 | C13 | H19 | H20 | 120.0° | 119.9° |
| C12 | C13 | H19 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| H17 | C12 | O7 | H18 | 61.5° | 60.0° |
| H17 | C12 | C13 | H19 | 62.3° | 173.4° |
| H17 | C12 | C13 | H20 | 57.7° | 53.5° |
| H17 | C12 | C13 | H21 | 177.7° | 66.6° |
| H19 | C13 | H20 | H21 | 120.0° | 120.0° |
| C14 | N5 | H22 | C11 | 180.0° | 179.9° |
| N5 | C14 | C15 | C16 | 121.3° | 120.0° |
| N5 | C14 | C15 | H23 | 120.1° | 120.0° |
| N5 | C14 | C16 | H23 | 120.7° | 120.0° |
| N5 | C14 | C15 | O8 | 65.2° | 0.1° |
| N5 | C14 | C16 | O9 | 62.3° | 64.9° |
| N5 | C14 | C16 | H24 | 58.0° | 175.0° |
| N5 | C14 | C16 | H25 | 177.3° | 55.1° |
| N5 | C14 | C15 | N6 | 81.0° | 180.0° |
| H22 | N5 | C14 | C15 | 118.5° | 24.9° |
| H22 | N5 | C14 | C16 | 1.7° | 95.0° |
| H22 | N5 | C14 | H23 | 121.8° | 145.0° |
| C15 | C14 | C16 | H23 | 118.6° | 120.0° |
| C14 | C15 | O8 | N6 | 154.8° | 180.0° |
| C15 | C14 | C16 | O9 | 177.0° | 55.0° |
| C15 | C14 | C16 | H24 | 62.7° | 65.1° |
| C15 | C14 | C16 | H25 | 56.6° | 175.0° |
| C14 | C15 | N6 | C18 | 175.9° | 180.0° |
| C14 | C15 | N6 | H29 | 4.2° | 0.1° |
| C15 | C14 | N5 | C11 | 61.5° | 155.0° |
| C16 | C14 | C15 | O8 | 56.1° | 120.0° |
| C14 | C16 | O9 | H24 | 120.4° | 120.0° |
| C14 | C16 | O9 | H25 | 120.4° | 120.0° |
| C14 | C16 | H24 | H25 | 118.9° | 119.9° |
| C14 | C16 | O9 | H26 | 180.0° | 180.0° |
| C16 | C14 | N5 | C11 | 178.3° | 85.1° |
| C16 | C14 | C15 | N6 | 157.7° | 60.0° |
| H23 | C14 | C15 | O8 | 174.6° | 119.9° |
| H23 | C14 | C16 | O9 | 58.4° | 175.0° |
| H23 | C14 | C16 | H24 | 178.7° | 55.0° |
| H23 | C14 | C16 | H25 | 62.0° | 65.0° |
| H23 | C14 | N5 | C11 | 58.2° | 35.0° |
| H23 | C14 | C15 | N6 | 39.1° | 60.0° |
| O8 | C15 | N6 | C18 | 33.6° | 0.0° |
| O8 | C15 | N6 | H29 | 146.4° | 179.9° |
| O9 | C16 | H24 | H25 | 118.9° | 120.0° |
| H24 | C16 | O9 | H26 | 59.6° | 59.9° |
| H25 | C16 | O9 | H26 | 59.7° | 60.1° |
| C18 | C17 | O10 | H27 | 120.4° | 120.0° |
| C18 | C17 | O10 | H28 | 120.3° | 120.0° |
| C18 | C17 | H27 | H28 | 118.9° | 120.0° |
| C17 | C18 | N6 | C19 | 124.1° | 120.0° |
| C17 | C18 | N6 | H31 | 117.1° | 120.0° |
| C17 | C18 | N6 | H29 | 117.5° | 95.1° |
| C18 | C17 | O10 | H30 | 180.0° | 179.9° |
| C17 | C18 | C19 | H31 | 117.6° | 120.0° |
| C17 | C18 | C19 | C21 | 171.0° | 175.0° |
| C17 | C18 | C19 | H32 | 69.0° | 65.0° |
| C17 | C18 | C19 | H33 | 51.0° | 55.0° |
| C17 | C18 | N6 | C15 | 62.5° | 85.0° |
| O10 | C17 | H27 | H28 | 118.9° | 120.0° |
| O10 | C17 | C18 | N6 | 170.4° | 65.0° |
| O10 | C17 | C18 | C19 | 65.0° | 55.0° |
| O10 | C17 | C18 | H31 | 52.8° | 175.0° |
| H27 | C17 | C18 | N6 | 69.2° | 175.0° |
| H27 | C17 | O10 | H30 | 59.6° | 60.0° |
| H27 | C17 | C18 | C19 | 55.4° | 65.0° |
| H27 | C17 | C18 | H31 | 173.2° | 55.0° |
| H28 | C17 | C18 | N6 | 50.1° | 55.0° |
| H28 | C17 | O10 | H30 | 59.7° | 60.1° |
| H28 | C17 | C18 | C19 | 174.7° | 175.0° |
| H28 | C17 | C18 | H31 | 67.6° | 65.0° |
| C18 | N6 | H29 | C15 | 180.0° | 179.9° |
| N6 | C18 | C19 | H31 | 119.2° | 120.0° |
| N6 | C18 | C19 | C21 | 65.8° | 65.0° |
| N6 | C18 | C19 | H32 | 54.2° | 54.9° |
| N6 | C18 | C19 | H33 | 174.2° | 175.0° |
| H29 | N6 | C18 | C19 | 6.6° | 24.9° |
| H29 | N6 | C18 | H31 | 125.4° | 145.0° |
| C18 | C19 | C21 | H32 | 120.0° | 120.0° |
| C18 | C19 | C21 | H33 | 120.0° | 120.0° |
| C18 | C19 | H32 | H33 | 120.0° | 120.0° |
| C18 | C19 | C21 | C20 | 164.8° | 180.0° |
| C18 | C19 | C21 | H34 | 75.2° | 60.0° |
| C18 | C19 | C21 | H35 | 44.8° | 60.0° |
| C19 | C18 | N6 | C15 | 173.4° | 155.0° |
| H31 | C18 | C19 | C21 | 53.3° | 55.0° |
| H31 | C18 | C19 | H32 | 173.4° | 175.0° |
| H31 | C18 | C19 | H33 | 66.7° | 65.0° |
| H31 | C18 | N6 | C15 | 54.6° | 35.0° |
| C21 | C19 | H32 | H33 | 120.0° | 120.0° |
| C19 | C21 | C20 | O11 | 43.7° | 0.0° |
| C19 | C21 | C20 | H34 | 120.0° | 120.0° |
| C19 | C21 | C20 | H35 | 120.0° | 120.0° |
| C19 | C21 | C20 | N7 | 136.2° | 180.0° |
| C19 | C21 | H34 | H35 | 120.1° | 119.9° |
| H32 | C19 | C21 | C20 | 44.8° | 60.0° |
| H32 | C19 | C21 | H34 | 164.8° | 179.9° |
| H32 | C19 | C21 | H35 | 75.2° | 60.0° |
| H33 | C19 | C21 | C20 | 75.2° | 60.0° |
| H33 | C19 | C21 | H34 | 44.8° | 60.0° |
| H33 | C19 | C21 | H35 | 164.8° | 180.0° |
| O11 | C20 | C21 | N7 | 179.9° | 180.0° |
| O11 | C20 | C21 | H34 | 163.7° | 120.0° |
| O11 | C20 | C21 | H35 | 76.2° | 120.0° |
| O11 | C20 | N7 | H36 | 0.0° | 180.0° |
| O11 | C20 | N7 | H37 | 180.0° | 0.0° |
| C20 | C21 | H34 | H35 | 120.1° | 120.1° |
| C21 | C20 | N7 | H36 | 179.9° | 0.0° |
| C21 | C20 | N7 | H37 | 0.1° | 180.0° |
| N7 | C20 | C21 | H34 | 16.2° | 60.0° |
| N7 | C20 | C21 | H35 | 103.8° | 60.1° |
| C20 | N7 | H36 | H37 | 180.0° | 180.0° |
