PRD_000976
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.54Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | O3 | doub | 1.21Å | 1.25Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | O5 | sing | 1.34Å | 1.26Å | |
| O5 | H19 | sing | 0.97Å | 0.95Å | |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | O6 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.50Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N4 | C19 | sing | 1.47Å | 1.47Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.26Å | |
| C20 | H33 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | O8 | doub | 1.21Å | 1.23Å | |
| C22 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H36 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.58Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | N4 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.9° | 120.0° |
| O1 | C1 | N1 | 126.0° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 111.4° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 122.9° | 120.1° |
| N1 | C3 | C4 | 105.5° | 109.5° |
| N1 | C3 | C5 | 108.3° | 109.5° |
| N1 | C3 | H5 | 112.4° | 109.5° |
| C3 | N1 | C1 | 114.2° | 120.0° |
| H4 | N1 | C1 | 122.9° | 119.9° |
| C4 | C3 | C5 | 106.8° | 109.5° |
| C4 | C3 | H5 | 111.7° | 109.4° |
| C3 | C4 | O2 | 120.2° | 120.0° |
| C3 | C4 | N2 | 116.4° | 120.0° |
| C5 | C3 | H5 | 111.7° | 109.5° |
| C3 | C5 | C6 | 110.2° | 109.5° |
| C3 | C5 | C7 | 109.7° | 109.4° |
| C3 | C5 | H6 | 108.1° | 109.5° |
| O2 | C4 | N2 | 123.4° | 120.0° |
| C6 | C5 | C7 | 112.8° | 109.5° |
| C6 | C5 | H6 | 107.9° | 109.5° |
| C5 | C6 | H7 | 109.5° | 109.5° |
| C5 | C6 | H8 | 109.5° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C7 | C5 | H6 | 107.9° | 109.5° |
| C5 | C7 | H10 | 109.5° | 109.5° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H10 | C7 | H12 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.4° | 109.4° |
| C8 | N2 | H13 | 120.0° | 119.9° |
| N2 | C8 | C9 | 110.3° | 109.5° |
| N2 | C8 | C10 | 111.0° | 109.5° |
| N2 | C8 | H14 | 109.4° | 109.4° |
| C8 | N2 | C4 | 120.1° | 120.0° |
| H13 | N2 | C4 | 120.0° | 120.0° |
| C9 | C8 | C10 | 109.6° | 109.5° |
| C9 | C8 | H14 | 108.3° | 109.5° |
| C8 | C9 | O3 | 121.8° | 120.0° |
| C8 | C9 | N3 | 114.2° | 120.0° |
| C10 | C8 | H14 | 108.2° | 109.5° |
| C8 | C10 | C11 | 109.0° | 109.5° |
| C8 | C10 | H15 | 109.6° | 109.5° |
| C8 | C10 | H16 | 109.6° | 109.5° |
| O3 | C9 | N3 | 123.9° | 120.0° |
| C11 | C10 | H15 | 109.6° | 109.5° |
| C11 | C10 | H16 | 109.6° | 109.5° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C10 | C11 | H17 | 108.4° | 109.5° |
| C10 | C11 | H18 | 108.4° | 109.5° |
| H15 | C10 | H16 | 109.4° | 109.4° |
| C12 | C11 | H17 | 108.4° | 109.4° |
| C12 | C11 | H18 | 108.4° | 109.5° |
| C11 | C12 | O4 | 118.1° | 120.0° |
| C11 | C12 | O5 | 117.7° | 120.0° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| O4 | C12 | O5 | 124.1° | 120.0° |
| C12 | O5 | H19 | 109.5° | 117.0° |
| C13 | N3 | H20 | 119.2° | 120.0° |
| N3 | C13 | C14 | 113.3° | 109.5° |
| N3 | C13 | C15 | 107.8° | 109.5° |
| N3 | C13 | H21 | 109.3° | 109.5° |
| C13 | N3 | C9 | 121.5° | 120.0° |
| H20 | N3 | C9 | 119.3° | 120.0° |
| C14 | C13 | C15 | 109.7° | 109.5° |
| C14 | C13 | H21 | 108.4° | 109.4° |
| C13 | C14 | O6 | 120.8° | 120.0° |
| C13 | C14 | N4 | 116.9° | 120.0° |
| C15 | C13 | H21 | 108.2° | 109.5° |
| C13 | C15 | C16 | 109.8° | 109.5° |
| C13 | C15 | C17 | 110.8° | 109.5° |
| C13 | C15 | H22 | 108.1° | 109.5° |
| O6 | C14 | N4 | 122.3° | 120.1° |
| C16 | C15 | C17 | 111.0° | 109.5° |
| C16 | C15 | H22 | 108.3° | 109.4° |
| C15 | C16 | C18 | 113.9° | 109.5° |
| C15 | C16 | H23 | 108.4° | 109.5° |
| C15 | C16 | H24 | 108.3° | 109.5° |
| C17 | C15 | H22 | 108.7° | 109.5° |
| C15 | C17 | H25 | 109.5° | 109.5° |
| C15 | C17 | H26 | 109.5° | 109.5° |
| C15 | C17 | H27 | 109.5° | 109.5° |
| C18 | C16 | H23 | 108.3° | 109.5° |
| C18 | C16 | H24 | 108.4° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| H23 | C16 | H24 | 109.5° | 109.4° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H25 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H28 | C18 | H30 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| C19 | N4 | H31 | 118.9° | 119.9° |
| N4 | C19 | C20 | 113.1° | 109.5° |
| N4 | C19 | C21 | 110.6° | 109.5° |
| N4 | C19 | H32 | 108.3° | 109.4° |
| C19 | N4 | C14 | 122.2° | 120.0° |
| H31 | N4 | C14 | 118.9° | 120.1° |
| C20 | C19 | C21 | 109.4° | 109.5° |
| C20 | C19 | H32 | 107.6° | 109.5° |
| C19 | C20 | O7 | 121.9° | 120.0° |
| C19 | C20 | H33 | 119.0° | 120.0° |
| C21 | C19 | H32 | 107.7° | 109.5° |
| C19 | C21 | C22 | 111.8° | 109.5° |
| C19 | C21 | H34 | 108.9° | 109.5° |
| C19 | C21 | H35 | 108.9° | 109.4° |
| O7 | C20 | H33 | 119.1° | 120.0° |
| C22 | C21 | H34 | 108.9° | 109.5° |
| C22 | C21 | H35 | 108.9° | 109.5° |
| C21 | C22 | O8 | 118.1° | 120.0° |
| C21 | C22 | O9 | 118.4° | 120.0° |
| H34 | C21 | H35 | 109.5° | 109.5° |
| O8 | C22 | O9 | 123.5° | 120.0° |
| C22 | O9 | H36 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 165.6° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | H2 | 120.0° | 120.0° |
| O1 | C1 | C2 | H3 | 120.0° | 120.0° |
| O1 | C1 | N1 | C3 | 11.5° | 0.0° |
| O1 | C1 | N1 | H4 | 168.5° | 180.0° |
| 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 | 176.2° | 179.8° |
| C2 | C1 | N1 | H4 | 3.8° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.1° |
| H1 | C2 | C1 | N1 | 165.6° | 179.7° |
| H2 | C2 | C1 | N1 | 74.4° | 59.7° |
| H3 | C2 | C1 | N1 | 45.6° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 115.2° | 120.1° |
| N1 | C3 | C4 | H5 | 122.4° | 120.0° |
| N1 | C3 | C5 | H5 | 124.3° | 120.0° |
| N1 | C3 | C4 | O2 | 42.8° | 22.2° |
| N1 | C3 | C5 | C6 | 178.9° | 65.6° |
| N1 | C3 | C5 | C7 | 54.0° | 54.4° |
| N1 | C3 | C5 | H6 | 63.4° | 174.3° |
| N1 | C3 | C4 | N2 | 137.5° | 157.9° |
| H4 | N1 | C3 | C4 | 72.3° | 25.0° |
| H4 | N1 | C3 | C5 | 41.9° | 95.0° |
| H4 | N1 | C3 | H5 | 165.7° | 145.0° |
| C4 | C3 | C5 | H5 | 122.4° | 119.9° |
| C3 | C4 | O2 | N2 | 179.7° | 180.0° |
| C4 | C3 | C5 | C6 | 67.9° | 174.3° |
| C4 | C3 | C5 | C7 | 167.3° | 65.7° |
| C4 | C3 | C5 | H6 | 49.8° | 54.3° |
| C3 | C4 | N2 | C8 | 179.5° | 175.3° |
| C3 | C4 | N2 | H13 | 0.5° | 4.6° |
| C4 | C3 | N1 | C1 | 107.7° | 155.0° |
| C5 | C3 | C4 | O2 | 72.4° | 97.9° |
| C3 | C5 | C6 | C7 | 123.0° | 120.0° |
| C3 | C5 | C6 | H6 | 117.8° | 120.0° |
| C3 | C5 | C7 | H6 | 117.6° | 120.0° |
| C3 | C5 | C6 | H7 | 180.0° | 59.9° |
| C3 | C5 | C6 | H8 | 60.0° | 180.0° |
| C3 | C5 | C6 | H9 | 60.0° | 60.0° |
| C3 | C5 | C7 | H10 | 180.0° | 175.5° |
| C3 | C5 | C7 | H11 | 60.0° | 55.6° |
| C3 | C5 | C7 | H12 | 60.0° | 64.4° |
| C5 | C3 | N1 | C1 | 138.2° | 85.0° |
| C5 | C3 | C4 | N2 | 107.4° | 82.1° |
| H5 | C3 | C4 | O2 | 165.2° | 142.1° |
| H5 | C3 | C5 | C6 | 54.6° | 54.4° |
| H5 | C3 | C5 | C7 | 70.3° | 174.4° |
| H5 | C3 | C5 | H6 | 172.3° | 65.7° |
| H5 | C3 | N1 | C1 | 14.3° | 35.1° |
| H5 | C3 | C4 | N2 | 15.1° | 37.9° |
| O2 | C4 | N2 | C8 | 0.8° | 4.7° |
| O2 | C4 | N2 | H13 | 179.2° | 175.3° |
| C6 | C5 | C7 | H6 | 119.1° | 120.1° |
| C5 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C6 | H7 | H9 | 120.0° | 120.0° |
| C5 | C6 | H8 | H9 | 120.0° | 120.0° |
| C6 | C5 | C7 | H10 | 56.7° | 55.6° |
| C6 | C5 | C7 | H11 | 63.3° | 64.4° |
| C6 | C5 | C7 | H12 | 176.7° | 175.7° |
| C7 | C5 | C6 | H7 | 57.0° | 60.0° |
| C7 | C5 | C6 | H8 | 177.0° | 60.0° |
| C7 | C5 | C6 | H9 | 63.0° | 180.0° |
| C5 | C7 | H10 | H11 | 120.0° | 120.0° |
| C5 | C7 | H10 | H12 | 120.0° | 120.1° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| H6 | C5 | C6 | H7 | 62.2° | 180.0° |
| H6 | C5 | C6 | H8 | 57.8° | 60.0° |
| H6 | C5 | C6 | H9 | 177.8° | 60.0° |
| H6 | C5 | C7 | H10 | 62.4° | 64.5° |
| H6 | C5 | C7 | H11 | 177.6° | 175.5° |
| H6 | C5 | C7 | H12 | 57.6° | 55.6° |
| H7 | C6 | H8 | H9 | 120.0° | 119.9° |
| H10 | C7 | H11 | H12 | 120.0° | 120.0° |
| C8 | N2 | H13 | C4 | 180.0° | 179.9° |
| N2 | C8 | C9 | C10 | 122.5° | 120.0° |
| N2 | C8 | C9 | H14 | 119.6° | 119.9° |
| N2 | C8 | C10 | H14 | 120.0° | 120.0° |
| N2 | C8 | C9 | O3 | 21.3° | 0.0° |
| N2 | C8 | C10 | C11 | 61.5° | 65.0° |
| N2 | C8 | C10 | H15 | 58.4° | 55.1° |
| N2 | C8 | C10 | H16 | 178.5° | 175.0° |
| N2 | C8 | C9 | N3 | 158.3° | 180.0° |
| H13 | N2 | C8 | C9 | 53.2° | 25.1° |
| H13 | N2 | C8 | C10 | 68.4° | 95.0° |
| H13 | N2 | C8 | H14 | 172.2° | 145.0° |
| C9 | C8 | C10 | H14 | 117.9° | 120.0° |
| C8 | C9 | O3 | N3 | 179.6° | 180.0° |
| C9 | C8 | C10 | C11 | 176.4° | 175.0° |
| C9 | C8 | C10 | H15 | 63.6° | 65.0° |
| C9 | C8 | C10 | H16 | 56.5° | 55.0° |
| C8 | C9 | N3 | C13 | 179.3° | 180.0° |
| C8 | C9 | N3 | H20 | 0.6° | 0.0° |
| C9 | C8 | N2 | C4 | 126.8° | 155.0° |
| C10 | C8 | C9 | O3 | 101.2° | 120.0° |
| C8 | C10 | C11 | H15 | 120.0° | 120.0° |
| C8 | C10 | C11 | H16 | 119.9° | 120.0° |
| C8 | C10 | H15 | H16 | 120.2° | 120.0° |
| C8 | C10 | C11 | C12 | 170.0° | 180.0° |
| C8 | C10 | C11 | H17 | 49.4° | 60.0° |
| C8 | C10 | C11 | H18 | 69.3° | 60.0° |
| C10 | C8 | N2 | C4 | 111.5° | 85.0° |
| C10 | C8 | C9 | N3 | 79.2° | 60.0° |
| H14 | C8 | C9 | O3 | 141.0° | 120.0° |
| H14 | C8 | C10 | C11 | 58.5° | 55.0° |
| H14 | C8 | C10 | H15 | 178.5° | 175.0° |
| H14 | C8 | C10 | H16 | 61.4° | 65.0° |
| H14 | C8 | N2 | C4 | 7.8° | 35.0° |
| H14 | C8 | C9 | N3 | 38.7° | 60.0° |
| O3 | C9 | N3 | C13 | 1.0° | 0.0° |
| O3 | C9 | N3 | H20 | 179.0° | 180.0° |
| C11 | C10 | H15 | H16 | 120.2° | 120.0° |
| C10 | C11 | C12 | H17 | 120.6° | 120.0° |
| C10 | C11 | C12 | H18 | 120.6° | 120.1° |
| C10 | C11 | H17 | H18 | 118.1° | 120.0° |
| C10 | C11 | C12 | O4 | 33.6° | 0.0° |
| C10 | C11 | C12 | O5 | 149.4° | 180.0° |
| H15 | C10 | C11 | C12 | 70.0° | 60.0° |
| H15 | C10 | C11 | H17 | 169.4° | 180.0° |
| H15 | C10 | C11 | H18 | 50.6° | 60.1° |
| H16 | C10 | C11 | C12 | 50.1° | 60.0° |
| H16 | C10 | C11 | H17 | 70.5° | 60.0° |
| H16 | C10 | C11 | H18 | 170.7° | 180.0° |
| C12 | C11 | H17 | H18 | 118.1° | 120.0° |
| C11 | C12 | O4 | O5 | 176.8° | 180.0° |
| C11 | C12 | O5 | H19 | 176.8° | 180.0° |
| H17 | C11 | C12 | O4 | 154.2° | 120.0° |
| H17 | C11 | C12 | O5 | 28.8° | 60.0° |
| H18 | C11 | C12 | O4 | 87.0° | 120.0° |
| H18 | C11 | C12 | O5 | 90.0° | 59.9° |
| O4 | C12 | O5 | H19 | 0.0° | 0.0° |
| C13 | N3 | H20 | C9 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 120.5° | 120.0° |
| N3 | C13 | C14 | H21 | 121.5° | 120.0° |
| N3 | C13 | C15 | H21 | 118.1° | 120.0° |
| N3 | C13 | C14 | O6 | 46.9° | 0.0° |
| N3 | C13 | C15 | C16 | 60.5° | 60.0° |
| N3 | C13 | C15 | C17 | 176.6° | 60.0° |
| N3 | C13 | C15 | H22 | 57.5° | 180.0° |
| N3 | C13 | C14 | N4 | 130.3° | 180.0° |
| H20 | N3 | C13 | C14 | 87.7° | 25.0° |
| H20 | N3 | C13 | C15 | 33.8° | 95.0° |
| H20 | N3 | C13 | H21 | 151.2° | 144.9° |
| C14 | C13 | C15 | H21 | 118.1° | 120.0° |
| C13 | C14 | O6 | N4 | 177.0° | 180.0° |
| C14 | C13 | C15 | C16 | 175.7° | 60.0° |
| C14 | C13 | C15 | C17 | 52.8° | 180.0° |
| C14 | C13 | C15 | H22 | 66.3° | 60.0° |
| C13 | C14 | N4 | C19 | 179.0° | 180.0° |
| C13 | C14 | N4 | H31 | 1.0° | 0.1° |
| C14 | C13 | N3 | C9 | 92.2° | 155.0° |
| C15 | C13 | C14 | O6 | 73.6° | 120.0° |
| C13 | C15 | C16 | C17 | 122.9° | 120.0° |
| C13 | C15 | C16 | H22 | 117.8° | 120.0° |
| C13 | C15 | C17 | H22 | 118.7° | 120.0° |
| C13 | C15 | C16 | C18 | 48.7° | 175.0° |
| C13 | C15 | C16 | H23 | 71.9° | 65.0° |
| C13 | C15 | C16 | H24 | 169.4° | 54.9° |
| C13 | C15 | C17 | H25 | 180.0° | 60.0° |
| C13 | C15 | C17 | H26 | 60.0° | 179.9° |
| C13 | C15 | C17 | H27 | 60.0° | 60.0° |
| C15 | C13 | N3 | C9 | 146.2° | 85.0° |
| C15 | C13 | C14 | N4 | 109.2° | 60.0° |
| H21 | C13 | C14 | O6 | 168.4° | 120.0° |
| H21 | C13 | C15 | C16 | 57.6° | 180.0° |
| H21 | C13 | C15 | C17 | 65.3° | 60.0° |
| H21 | C13 | C15 | H22 | 175.6° | 60.0° |
| H21 | C13 | N3 | C9 | 28.8° | 35.0° |
| H21 | C13 | C14 | N4 | 8.8° | 60.0° |
| O6 | C14 | N4 | C19 | 3.8° | 0.0° |
| O6 | C14 | N4 | H31 | 176.2° | 180.0° |
| C16 | C15 | C17 | H22 | 119.0° | 120.0° |
| C15 | C16 | C18 | H23 | 120.7° | 120.0° |
| C15 | C16 | C18 | H24 | 120.6° | 120.1° |
| C15 | C16 | H23 | H24 | 118.0° | 120.0° |
| C16 | C15 | C17 | H25 | 57.8° | 60.0° |
| C16 | C15 | C17 | H26 | 177.8° | 60.0° |
| C16 | C15 | C17 | H27 | 62.2° | 180.0° |
| C15 | C16 | C18 | H28 | 180.0° | 180.0° |
| C15 | C16 | C18 | H29 | 60.0° | 60.0° |
| C15 | C16 | C18 | H30 | 60.0° | 60.0° |
| C17 | C15 | C16 | C18 | 74.1° | 65.0° |
| C17 | C15 | C16 | H23 | 165.2° | 55.0° |
| C17 | C15 | C16 | H24 | 46.5° | 175.0° |
| C15 | C17 | H25 | H26 | 120.0° | 120.0° |
| C15 | C17 | H25 | H27 | 120.0° | 120.0° |
| C15 | C17 | H26 | H27 | 120.0° | 120.0° |
| H22 | C15 | C16 | C18 | 166.6° | 55.0° |
| H22 | C15 | C16 | H23 | 45.9° | 175.0° |
| H22 | C15 | C16 | H24 | 72.8° | 65.0° |
| H22 | C15 | C17 | H25 | 61.3° | 180.0° |
| H22 | C15 | C17 | H26 | 58.7° | 60.0° |
| H22 | C15 | C17 | H27 | 178.7° | 60.0° |
| C18 | C16 | H23 | H24 | 118.0° | 120.0° |
| C16 | C18 | H28 | H29 | 120.0° | 120.0° |
| C16 | C18 | H28 | H30 | 120.1° | 120.0° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| H23 | C16 | C18 | H28 | 59.4° | 60.0° |
| H23 | C16 | C18 | H29 | 179.3° | 180.0° |
| H23 | C16 | C18 | H30 | 60.7° | 60.0° |
| H24 | C16 | C18 | H28 | 59.3° | 60.0° |
| H24 | C16 | C18 | H29 | 60.6° | 60.1° |
| H24 | C16 | C18 | H30 | 179.4° | 179.9° |
| H25 | C17 | H26 | H27 | 120.0° | 120.0° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| C19 | N4 | H31 | C14 | 180.0° | 179.9° |
| N4 | C19 | C20 | C21 | 123.7° | 120.0° |
| N4 | C19 | C20 | H32 | 119.6° | 120.0° |
| N4 | C19 | C21 | H32 | 118.2° | 119.9° |
| N4 | C19 | C20 | O7 | 168.8° | 0.0° |
| N4 | C19 | C20 | H33 | 11.3° | 180.0° |
| N4 | C19 | C21 | C22 | 102.9° | 65.0° |
| N4 | C19 | C21 | H34 | 17.5° | 55.1° |
| N4 | C19 | C21 | H35 | 136.8° | 175.0° |
| H31 | N4 | C19 | C20 | 92.1° | 95.1° |
| H31 | N4 | C19 | C21 | 30.9° | 25.0° |
| H31 | N4 | C19 | H32 | 148.7° | 144.9° |
| C20 | C19 | C21 | H32 | 116.7° | 120.0° |
| C19 | C20 | O7 | H33 | 180.0° | 180.0° |
| C20 | C19 | C21 | C22 | 132.0° | 175.0° |
| C20 | C19 | C21 | H34 | 107.6° | 65.0° |
| C20 | C19 | C21 | H35 | 11.6° | 55.0° |
| C20 | C19 | N4 | C14 | 87.9° | 85.0° |
| C21 | C19 | C20 | O7 | 45.0° | 120.0° |
| C21 | C19 | C20 | H33 | 135.0° | 60.0° |
| C19 | C21 | C22 | H34 | 120.4° | 120.0° |
| C19 | C21 | C22 | H35 | 120.3° | 120.0° |
| C19 | C21 | H34 | H35 | 118.9° | 120.0° |
| C19 | C21 | C22 | O8 | 168.8° | 0.0° |
| C19 | C21 | C22 | O9 | 10.0° | 180.0° |
| C21 | C19 | N4 | C14 | 149.1° | 155.0° |
| H32 | C19 | C20 | O7 | 71.7° | 120.0° |
| H32 | C19 | C20 | H33 | 108.3° | 60.0° |
| H32 | C19 | C21 | C22 | 15.3° | 55.0° |
| H32 | C19 | C21 | H34 | 135.7° | 175.0° |
| H32 | C19 | C21 | H35 | 105.0° | 65.0° |
| H32 | C19 | N4 | C14 | 31.3° | 35.0° |
| C22 | C21 | H34 | H35 | 118.9° | 120.0° |
| C21 | C22 | O8 | O9 | 178.8° | 179.9° |
| C21 | C22 | O9 | H36 | 178.8° | 180.0° |
| H34 | C21 | C22 | O8 | 48.5° | 120.1° |
| H34 | C21 | C22 | O9 | 130.4° | 60.0° |
| H35 | C21 | C22 | O8 | 70.8° | 119.9° |
| H35 | C21 | C22 | O9 | 110.3° | 60.0° |
| O8 | C22 | O9 | H36 | 0.0° | 0.1° |
