PRD_000755
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| O2 | C2 | sing | 1.45Å | 1.41Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.46Å | 1.46Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.47Å | 1.48Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.24Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| N3 | C12 | sing | 1.47Å | 1.48Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.54Å | 1.53Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.26Å | |
| C14 | C15 | sing | 1.55Å | 1.49Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.55Å | 1.52Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | N4 | sing | 1.46Å | 1.48Å | |
| C17 | P1 | sing | 1.82Å | 1.60Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| P1 | O6 | doub | 1.48Å | 1.54Å | |
| P1 | O7 | sing | 1.61Å | 36.99Å | |
| P1 | O8 | sing | 1.61Å | 1.47Å | |
| O7 | H36 | sing | 0.97Å | 0.00Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| C13 | N4 | sing | 1.35Å | 1.32Å | |
| C7 | N2 | sing | 1.35Å | 1.31Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O2 | 120.2° | 120.0° |
| O1 | C1 | N1 | 124.3° | 120.0° |
| C1 | O2 | C2 | 121.9° | 117.0° |
| O2 | C1 | N1 | 115.5° | 120.0° |
| O2 | C2 | C3 | 109.7° | 109.5° |
| O2 | C2 | C4 | 107.4° | 109.5° |
| O2 | C2 | C5 | 108.9° | 109.5° |
| C3 | C2 | C4 | 113.9° | 109.5° |
| C3 | C2 | C5 | 108.3° | 109.4° |
| C2 | C3 | H1 | 109.5° | 109.4° |
| C2 | C3 | H2 | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C4 | C2 | C5 | 108.6° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.4° |
| C2 | C4 | H5 | 109.4° | 109.5° |
| C2 | C4 | H6 | 109.5° | 109.5° |
| C2 | C5 | H7 | 109.5° | 109.5° |
| C2 | C5 | H8 | 109.5° | 109.5° |
| C2 | C5 | H9 | 109.5° | 109.5° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H1 | C3 | H3 | 109.4° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H4 | C4 | H6 | 109.4° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| H7 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.4° |
| C6 | N1 | H10 | 116.7° | 120.0° |
| N1 | C6 | C7 | 109.1° | 109.5° |
| N1 | C6 | C8 | 109.7° | 109.4° |
| N1 | C6 | H11 | 109.6° | 109.5° |
| C6 | N1 | C1 | 126.5° | 120.0° |
| H10 | N1 | C1 | 116.7° | 120.0° |
| C7 | C6 | C8 | 111.2° | 109.4° |
| C7 | C6 | H11 | 108.5° | 109.5° |
| C6 | C7 | O3 | 119.4° | 120.0° |
| C6 | C7 | N2 | 114.0° | 120.0° |
| C8 | C6 | H11 | 108.7° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.4° |
| C6 | C8 | H13 | 109.5° | 109.5° |
| C6 | C8 | H14 | 109.5° | 109.5° |
| O3 | C7 | N2 | 126.6° | 120.0° |
| H12 | C8 | H13 | 109.4° | 109.4° |
| H12 | C8 | H14 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C9 | N2 | H15 | 120.7° | 120.0° |
| N2 | C9 | C10 | 106.5° | 109.4° |
| N2 | C9 | C11 | 112.1° | 109.4° |
| N2 | C9 | H16 | 109.4° | 109.5° |
| C9 | N2 | C7 | 118.7° | 120.0° |
| H15 | N2 | C7 | 120.6° | 120.0° |
| C10 | C9 | C11 | 111.2° | 109.5° |
| C10 | C9 | H16 | 108.7° | 109.5° |
| C9 | C10 | O4 | 117.7° | 120.0° |
| C9 | C10 | N3 | 115.7° | 120.0° |
| C11 | C9 | H16 | 108.9° | 109.5° |
| C9 | C11 | H17 | 109.5° | 109.4° |
| C9 | C11 | H18 | 109.4° | 109.5° |
| C9 | C11 | H19 | 109.5° | 109.5° |
| O4 | C10 | N3 | 126.6° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H19 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C12 | N3 | C16 | 113.4° | 108.7° |
| N3 | C12 | C13 | 106.7° | 109.9° |
| N3 | C12 | C14 | 102.4° | 107.3° |
| N3 | C12 | H20 | 111.7° | 109.9° |
| C12 | N3 | C10 | 120.4° | 125.7° |
| N3 | C16 | C15 | 105.2° | 104.7° |
| N3 | C16 | H25 | 110.5° | 110.4° |
| N3 | C16 | H26 | 110.5° | 110.4° |
| C16 | N3 | C10 | 126.0° | 125.6° |
| C13 | C12 | C14 | 113.9° | 109.9° |
| C13 | C12 | H20 | 110.9° | 109.8° |
| C12 | C13 | O5 | 117.1° | 120.0° |
| C12 | C13 | N4 | 121.2° | 120.0° |
| C14 | C12 | H20 | 110.9° | 110.0° |
| C12 | C14 | C15 | 108.9° | 102.9° |
| C12 | C14 | H21 | 109.6° | 110.7° |
| C12 | C14 | H22 | 109.6° | 110.7° |
| O5 | C13 | N4 | 121.7° | 120.0° |
| C15 | C14 | H21 | 109.6° | 110.7° |
| C15 | C14 | H22 | 109.6° | 110.7° |
| C14 | C15 | C16 | 107.2° | 101.5° |
| C14 | C15 | H23 | 110.0° | 111.0° |
| C14 | C15 | H24 | 110.1° | 111.0° |
| H21 | C14 | H22 | 109.5° | 110.8° |
| C16 | C15 | H23 | 110.1° | 111.2° |
| C16 | C15 | H24 | 110.1° | 110.9° |
| C15 | C16 | H25 | 110.5° | 110.5° |
| C15 | C16 | H26 | 110.5° | 110.3° |
| H23 | C15 | H24 | 109.4° | 110.9° |
| H25 | C16 | H26 | 109.5° | 110.4° |
| C18 | C17 | N4 | 108.2° | 109.5° |
| C18 | C17 | P1 | 114.3° | 109.4° |
| C18 | C17 | H27 | 106.8° | 109.5° |
| C17 | C18 | C19 | 111.5° | 109.4° |
| C17 | C18 | C20 | 113.9° | 109.5° |
| C17 | C18 | H28 | 107.8° | 109.5° |
| N4 | C17 | P1 | 113.2° | 109.4° |
| N4 | C17 | H27 | 107.6° | 109.5° |
| C17 | N4 | H35 | 117.9° | 120.0° |
| C17 | N4 | C13 | 124.2° | 120.0° |
| P1 | C17 | H27 | 106.3° | 109.4° |
| C17 | P1 | O6 | 117.3° | 109.5° |
| C17 | P1 | O7 | 141.1° | 109.5° |
| C17 | P1 | O8 | 113.5° | 109.5° |
| C19 | C18 | C20 | 107.3° | 109.4° |
| C19 | C18 | H28 | 108.1° | 109.5° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.5° | 109.5° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C20 | C18 | H28 | 108.1° | 109.5° |
| C18 | C20 | H32 | 109.5° | 109.5° |
| C18 | C20 | H33 | 109.5° | 109.5° |
| C18 | C20 | H34 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.5° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.4° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H32 | C20 | H34 | 109.5° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.4° |
| H35 | N4 | C13 | 117.9° | 120.0° |
| O6 | P1 | O7 | 56.1° | 109.5° |
| O6 | P1 | O8 | 112.5° | 109.5° |
| O7 | P1 | O8 | 56.4° | 109.5° |
| P1 | O7 | H36 | 90.0° | 114.0° |
| P1 | O8 | H37 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O2 | N1 | 178.9° | 179.8° |
| O1 | C1 | O2 | C2 | 0.1° | 0.0° |
| O1 | C1 | N1 | C6 | 175.8° | 0.1° |
| O1 | C1 | N1 | H10 | 4.2° | 180.0° |
| C1 | O2 | C2 | C3 | 59.6° | 60.0° |
| C1 | O2 | C2 | C4 | 64.6° | 180.0° |
| C1 | O2 | C2 | C5 | 178.0° | 60.0° |
| O2 | C1 | N1 | C6 | 5.3° | 179.7° |
| O2 | C1 | N1 | H10 | 174.6° | 0.2° |
| O2 | C2 | C3 | C4 | 120.4° | 120.0° |
| O2 | C2 | C3 | C5 | 118.7° | 120.0° |
| O2 | C2 | C4 | C5 | 117.6° | 120.0° |
| O2 | C2 | C3 | H1 | 180.0° | 60.0° |
| O2 | C2 | C3 | H2 | 60.0° | 180.0° |
| O2 | C2 | C3 | H3 | 60.0° | 60.0° |
| O2 | C2 | C4 | H4 | 180.0° | 60.0° |
| O2 | C2 | C4 | H5 | 60.0° | 180.0° |
| O2 | C2 | C4 | H6 | 60.0° | 60.0° |
| O2 | C2 | C5 | H7 | 180.0° | 60.0° |
| O2 | C2 | C5 | H8 | 60.0° | 180.0° |
| O2 | C2 | C5 | H9 | 60.0° | 60.1° |
| C2 | O2 | C1 | N1 | 178.8° | 179.8° |
| C3 | C2 | C4 | C5 | 120.8° | 119.9° |
| C2 | C3 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | H1 | H3 | 120.0° | 120.0° |
| C2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C3 | C2 | C4 | H4 | 58.4° | 180.0° |
| C3 | C2 | C4 | H5 | 61.6° | 60.0° |
| C3 | C2 | C4 | H6 | 178.3° | 60.1° |
| C3 | C2 | C5 | H7 | 60.8° | 60.0° |
| C3 | C2 | C5 | H8 | 179.2° | 60.0° |
| C3 | C2 | C5 | H9 | 59.2° | 180.0° |
| C4 | C2 | C3 | H1 | 59.6° | 60.0° |
| C4 | C2 | C3 | H2 | 179.6° | 59.9° |
| C4 | C2 | C3 | H3 | 60.4° | 180.0° |
| C2 | C4 | H4 | H5 | 120.0° | 120.0° |
| C2 | C4 | H4 | H6 | 120.0° | 120.0° |
| C2 | C4 | H5 | H6 | 120.0° | 120.1° |
| C4 | C2 | C5 | H7 | 63.4° | 180.0° |
| C4 | C2 | C5 | H8 | 56.7° | 59.9° |
| C4 | C2 | C5 | H9 | 176.7° | 60.0° |
| C5 | C2 | C3 | H1 | 61.3° | 180.0° |
| C5 | C2 | C3 | H2 | 58.7° | 60.0° |
| C5 | C2 | C3 | H3 | 178.7° | 60.0° |
| C5 | C2 | C4 | H4 | 62.4° | 60.0° |
| C5 | C2 | C4 | H5 | 177.6° | 59.9° |
| C5 | C2 | C4 | H6 | 57.6° | 180.0° |
| C2 | C5 | H7 | H8 | 120.0° | 120.1° |
| C2 | C5 | H7 | H9 | 120.0° | 120.0° |
| C2 | C5 | H8 | H9 | 120.0° | 120.0° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H4 | C4 | H5 | H6 | 119.9° | 120.0° |
| H7 | C5 | H8 | H9 | 120.0° | 120.0° |
| C6 | N1 | H10 | C1 | 180.0° | 179.9° |
| N1 | C6 | C7 | C8 | 121.1° | 119.9° |
| N1 | C6 | C7 | H11 | 119.3° | 120.1° |
| N1 | C6 | C8 | H11 | 119.8° | 120.0° |
| N1 | C6 | C7 | O3 | 38.2° | 0.0° |
| N1 | C6 | C8 | H12 | 180.0° | 180.0° |
| N1 | C6 | C8 | H13 | 60.0° | 60.1° |
| N1 | C6 | C8 | H14 | 60.0° | 60.0° |
| N1 | C6 | C7 | N2 | 141.6° | 180.0° |
| H10 | N1 | C6 | C7 | 124.5° | 24.9° |
| H10 | N1 | C6 | C8 | 2.4° | 95.0° |
| H10 | N1 | C6 | H11 | 116.8° | 145.0° |
| C7 | C6 | C8 | H11 | 119.4° | 120.0° |
| C6 | C7 | O3 | N2 | 179.7° | 180.0° |
| C7 | C6 | C8 | H12 | 59.2° | 60.0° |
| C7 | C6 | C8 | H13 | 179.2° | 179.9° |
| C7 | C6 | C8 | H14 | 60.8° | 60.0° |
| C6 | C7 | N2 | C9 | 177.7° | 180.0° |
| C6 | C7 | N2 | H15 | 2.3° | 0.0° |
| C7 | C6 | N1 | C1 | 55.5° | 155.0° |
| C8 | C6 | C7 | O3 | 83.0° | 120.0° |
| C6 | C8 | H12 | H13 | 120.0° | 120.0° |
| C6 | C8 | H12 | H14 | 120.0° | 120.1° |
| C6 | C8 | H13 | H14 | 120.0° | 120.1° |
| C8 | C6 | N1 | C1 | 177.6° | 85.1° |
| C8 | C6 | C7 | N2 | 97.3° | 60.0° |
| H11 | C6 | C7 | O3 | 157.5° | 120.0° |
| H11 | C6 | C8 | H12 | 60.2° | 60.0° |
| H11 | C6 | C8 | H13 | 59.8° | 60.0° |
| H11 | C6 | C8 | H14 | 179.8° | 180.0° |
| H11 | C6 | N1 | C1 | 63.2° | 34.9° |
| H11 | C6 | C7 | N2 | 22.2° | 60.0° |
| O3 | C7 | N2 | C9 | 2.6° | 0.0° |
| O3 | C7 | N2 | H15 | 177.4° | 180.0° |
| H12 | C8 | H13 | H14 | 120.0° | 120.0° |
| C9 | N2 | H15 | C7 | 180.0° | 180.0° |
| N2 | C9 | C10 | C11 | 122.3° | 120.0° |
| N2 | C9 | C10 | H16 | 117.8° | 120.0° |
| N2 | C9 | C11 | H16 | 121.2° | 120.0° |
| N2 | C9 | C10 | O4 | 33.0° | 25.6° |
| N2 | C9 | C11 | H17 | 180.0° | 175.0° |
| N2 | C9 | C11 | H18 | 60.0° | 55.1° |
| N2 | C9 | C11 | H19 | 60.0° | 65.0° |
| N2 | C9 | C10 | N3 | 147.9° | 154.4° |
| H15 | N2 | C9 | C10 | 41.4° | 25.0° |
| H15 | N2 | C9 | C11 | 80.4° | 95.0° |
| H15 | N2 | C9 | H16 | 158.7° | 145.0° |
| C10 | C9 | C11 | H16 | 119.8° | 120.1° |
| C9 | C10 | O4 | N3 | 178.9° | 180.0° |
| C10 | C9 | C11 | H17 | 61.0° | 65.0° |
| C10 | C9 | C11 | H18 | 179.0° | 175.0° |
| C10 | C9 | C11 | H19 | 59.0° | 55.0° |
| C9 | C10 | N3 | C12 | 175.2° | 175.7° |
| C9 | C10 | N3 | C16 | 0.8° | 4.0° |
| C10 | C9 | N2 | C7 | 138.6° | 155.0° |
| C11 | C9 | C10 | O4 | 89.3° | 94.4° |
| C9 | C11 | H17 | H18 | 120.0° | 120.0° |
| C9 | C11 | H17 | H19 | 120.0° | 120.0° |
| C9 | C11 | H18 | H19 | 120.0° | 120.0° |
| C11 | C9 | N2 | C7 | 99.7° | 85.0° |
| C11 | C9 | C10 | N3 | 89.8° | 85.6° |
| H16 | C9 | C10 | O4 | 150.8° | 145.6° |
| H16 | C9 | C11 | H17 | 58.8° | 55.0° |
| H16 | C9 | C11 | H18 | 61.2° | 64.9° |
| H16 | C9 | C11 | H19 | 178.8° | 175.0° |
| H16 | C9 | N2 | C7 | 21.3° | 35.0° |
| H16 | C9 | C10 | N3 | 30.1° | 34.4° |
| O4 | C10 | N3 | C12 | 3.8° | 4.4° |
| O4 | C10 | N3 | C16 | 178.2° | 175.9° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
| C12 | N3 | C16 | C10 | 174.8° | 179.7° |
| N3 | C12 | C13 | C14 | 112.2° | 117.8° |
| N3 | C12 | C13 | H20 | 121.8° | 121.0° |
| N3 | C12 | C14 | H20 | 119.3° | 119.5° |
| N3 | C12 | C13 | O5 | 29.9° | 0.0° |
| N3 | C12 | C14 | C15 | 17.0° | 22.2° |
| N3 | C12 | C14 | H21 | 136.9° | 140.6° |
| N3 | C12 | C14 | H22 | 102.9° | 96.2° |
| C12 | N3 | C16 | C15 | 8.5° | 24.4° |
| C12 | N3 | C16 | H25 | 127.8° | 94.5° |
| C12 | N3 | C16 | H26 | 110.8° | 143.2° |
| N3 | C12 | C13 | N4 | 148.9° | 180.0° |
| C16 | N3 | C12 | C13 | 104.1° | 120.7° |
| C16 | N3 | C12 | C14 | 15.8° | 1.3° |
| C16 | N3 | C12 | H20 | 134.5° | 118.3° |
| N3 | C16 | C15 | C14 | 2.9° | 37.3° |
| N3 | C16 | C15 | H25 | 119.3° | 118.9° |
| N3 | C16 | C15 | H26 | 119.3° | 118.8° |
| N3 | C16 | C15 | H23 | 116.7° | 80.8° |
| N3 | C16 | C15 | H24 | 122.6° | 155.3° |
| N3 | C16 | H25 | H26 | 122.0° | 122.3° |
| C13 | C12 | C14 | H20 | 126.0° | 121.1° |
| C12 | C13 | O5 | N4 | 178.8° | 180.0° |
| C13 | C12 | C14 | C15 | 97.8° | 97.3° |
| C13 | C12 | C14 | H21 | 22.1° | 21.1° |
| C13 | C12 | C14 | H22 | 142.3° | 144.4° |
| C12 | C13 | N4 | C17 | 179.0° | 180.0° |
| C12 | C13 | N4 | H35 | 0.9° | 0.0° |
| C13 | C12 | N3 | C10 | 70.9° | 59.5° |
| C14 | C12 | C13 | O5 | 82.3° | 117.8° |
| C12 | C14 | C15 | H21 | 119.9° | 118.4° |
| C12 | C14 | C15 | H22 | 119.9° | 118.3° |
| C12 | C14 | H21 | H22 | 120.3° | 123.2° |
| C12 | C14 | C15 | C16 | 12.7° | 35.6° |
| C12 | C14 | C15 | H23 | 107.0° | 82.6° |
| C12 | C14 | C15 | H24 | 132.4° | 153.6° |
| C14 | C12 | C13 | N4 | 98.9° | 62.2° |
| C14 | C12 | N3 | C10 | 169.1° | 179.0° |
| H20 | C12 | C13 | O5 | 151.7° | 121.0° |
| H20 | C12 | C14 | C15 | 136.2° | 141.7° |
| H20 | C12 | C14 | H21 | 103.9° | 99.9° |
| H20 | C12 | C14 | H22 | 16.4° | 23.3° |
| H20 | C12 | C13 | N4 | 27.0° | 59.0° |
| H20 | C12 | N3 | C10 | 50.4° | 61.4° |
| O5 | C13 | N4 | C17 | 2.3° | 0.0° |
| O5 | C13 | N4 | H35 | 177.8° | 180.0° |
| C15 | C14 | H21 | H22 | 120.3° | 123.3° |
| C14 | C15 | C16 | H23 | 119.6° | 118.1° |
| C14 | C15 | C16 | H24 | 119.7° | 118.0° |
| C14 | C15 | H23 | H24 | 121.0° | 123.9° |
| C14 | C15 | C16 | H25 | 116.4° | 81.6° |
| C14 | C15 | C16 | H26 | 122.2° | 156.1° |
| H21 | C14 | C15 | C16 | 132.6° | 154.0° |
| H21 | C14 | C15 | H23 | 12.9° | 35.8° |
| H21 | C14 | C15 | H24 | 107.7° | 88.1° |
| H22 | C14 | C15 | C16 | 107.2° | 82.7° |
| H22 | C14 | C15 | H23 | 133.1° | 159.1° |
| H22 | C14 | C15 | H24 | 12.5° | 35.2° |
| C16 | C15 | H23 | H24 | 121.1° | 123.9° |
| C15 | C16 | H25 | H26 | 122.0° | 122.3° |
| C15 | C16 | N3 | C10 | 176.7° | 155.8° |
| H23 | C15 | C16 | H25 | 124.0° | 160.3° |
| H23 | C15 | C16 | H26 | 2.6° | 38.0° |
| H24 | C15 | C16 | H25 | 3.3° | 36.4° |
| H24 | C15 | C16 | H26 | 118.1° | 85.9° |
| H25 | C16 | N3 | C10 | 57.4° | 85.2° |
| H26 | C16 | N3 | C10 | 63.9° | 37.1° |
| C18 | C17 | N4 | P1 | 127.8° | 119.9° |
| C18 | C17 | N4 | H27 | 115.0° | 120.1° |
| C18 | C17 | P1 | H27 | 117.5° | 120.0° |
| C17 | C18 | C19 | C20 | 125.3° | 120.0° |
| C17 | C18 | C19 | H28 | 118.3° | 120.0° |
| C17 | C18 | C20 | H28 | 119.8° | 120.1° |
| C17 | C18 | C19 | H29 | 180.0° | 65.0° |
| C17 | C18 | C19 | H30 | 60.0° | 175.0° |
| C17 | C18 | C19 | H31 | 60.0° | 55.0° |
| C17 | C18 | C20 | H32 | 180.0° | 54.2° |
| C17 | C18 | C20 | H33 | 60.0° | 65.9° |
| C17 | C18 | C20 | H34 | 60.0° | 174.2° |
| C18 | C17 | N4 | H35 | 66.6° | 44.9° |
| C18 | C17 | P1 | O6 | 168.6° | 59.9° |
| C18 | C17 | P1 | O7 | 99.7° | 179.9° |
| C18 | C17 | P1 | O8 | 34.7° | 60.1° |
| C18 | C17 | N4 | C13 | 113.4° | 135.0° |
| N4 | C17 | P1 | H27 | 117.9° | 120.0° |
| N4 | C17 | C18 | C19 | 60.9° | 66.3° |
| N4 | C17 | C18 | C20 | 60.7° | 53.6° |
| N4 | C17 | C18 | H28 | 179.4° | 173.7° |
| C17 | N4 | H35 | C13 | 180.0° | 180.0° |
| N4 | C17 | P1 | O6 | 66.9° | 60.1° |
| N4 | C17 | P1 | O7 | 135.8° | 59.9° |
| N4 | C17 | P1 | O8 | 159.2° | 179.9° |
| P1 | C17 | C18 | C19 | 66.3° | 173.8° |
| P1 | C17 | C18 | C20 | 172.1° | 66.3° |
| P1 | C17 | C18 | H28 | 52.2° | 53.8° |
| P1 | C17 | N4 | H35 | 61.2° | 75.0° |
| C17 | P1 | O6 | O7 | 135.2° | 120.0° |
| C17 | P1 | O6 | O8 | 134.3° | 120.0° |
| C17 | P1 | O7 | O8 | 86.4° | 120.0° |
| C17 | P1 | O7 | H36 | 90.0° | 60.0° |
| C17 | P1 | O8 | H37 | 136.1° | 65.0° |
| P1 | C17 | N4 | C13 | 118.8° | 105.0° |
| H27 | C17 | C18 | C19 | 176.5° | 53.8° |
| H27 | C17 | C18 | C20 | 54.9° | 173.7° |
| H27 | C17 | C18 | H28 | 65.0° | 66.2° |
| H27 | C17 | N4 | H35 | 178.3° | 165.1° |
| H27 | C17 | P1 | O6 | 51.1° | 180.0° |
| H27 | C17 | P1 | O7 | 17.9° | 60.0° |
| H27 | C17 | P1 | O8 | 82.8° | 60.0° |
| H27 | C17 | N4 | C13 | 1.6° | 14.9° |
| C19 | C18 | C20 | H28 | 116.3° | 120.0° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C19 | C18 | C20 | H32 | 56.1° | 65.8° |
| C19 | C18 | C20 | H33 | 176.1° | 174.2° |
| C19 | C18 | C20 | H34 | 63.9° | 54.2° |
| C20 | C18 | C19 | H29 | 54.7° | 55.0° |
| C20 | C18 | C19 | H30 | 65.4° | 65.1° |
| C20 | C18 | C19 | H31 | 174.7° | 175.0° |
| C18 | C20 | H32 | H33 | 120.0° | 120.0° |
| C18 | C20 | H32 | H34 | 120.0° | 120.0° |
| C18 | C20 | H33 | H34 | 120.0° | 120.0° |
| H28 | C18 | C19 | H29 | 61.7° | 175.0° |
| H28 | C18 | C19 | H30 | 178.3° | 55.0° |
| H28 | C18 | C19 | H31 | 58.3° | 65.0° |
| H28 | C18 | C20 | H32 | 60.2° | 174.3° |
| H28 | C18 | C20 | H33 | 59.8° | 54.2° |
| H28 | C18 | C20 | H34 | 179.8° | 65.7° |
| H29 | C19 | H30 | H31 | 120.0° | 120.0° |
| H32 | C20 | H33 | H34 | 120.0° | 120.0° |
| O6 | P1 | O7 | O8 | 179.0° | 120.0° |
| O6 | P1 | O7 | H36 | 90.0° | 60.0° |
| O6 | P1 | O8 | H37 | 0.0° | 55.0° |
| O7 | P1 | O8 | H37 | 0.9° | 175.0° |
| O8 | P1 | O7 | H36 | 90.0° | 180.0° |
