PRD_001013
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| 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 | 1.46Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.46Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | doub | 1.21Å | 1.24Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | doub | 1.21Å | 1.25Å | |
| C9 | O5 | sing | 1.34Å | 1.25Å | |
| O5 | H13 | sing | 0.97Å | 0.95Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | O6 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | C15 | sing | 1.47Å | 1.47Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | O7 | doub | 1.21Å | 1.23Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | C18 | sing | 1.47Å | 1.47Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | O8 | doub | 1.21Å | 1.24Å | |
| C19 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | O9 | doub | 1.21Å | 1.25Å | |
| C21 | O10 | sing | 1.34Å | 1.25Å | |
| O10 | H33 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | sing | 1.35Å | 1.34Å | |
| C11 | N4 | sing | 1.35Å | 1.33Å | |
| C16 | N5 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.6° | 120.0° |
| O1 | C1 | N1 | 122.8° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 115.3° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| C3 | N1 | H4 | 118.2° | 120.0° |
| N1 | C3 | C4 | 112.6° | 109.5° |
| N1 | C3 | C5 | 110.3° | 109.5° |
| N1 | C3 | H5 | 108.5° | 109.5° |
| C3 | N1 | C1 | 123.5° | 120.0° |
| H4 | N1 | C1 | 118.2° | 120.0° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H5 | 107.7° | 109.5° |
| C3 | C4 | O2 | 121.4° | 120.0° |
| C3 | C4 | N2 | 115.1° | 120.0° |
| C5 | C3 | H5 | 107.7° | 109.4° |
| C3 | C5 | H6 | 109.5° | 109.4° |
| C3 | C5 | H7 | 109.5° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| O2 | C4 | N2 | 123.4° | 120.0° |
| H6 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H8 | 109.5° | 109.4° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C6 | N2 | H9 | 118.9° | 120.0° |
| N2 | C6 | C7 | 112.4° | 109.5° |
| N2 | C6 | C8 | 109.3° | 109.5° |
| N2 | C6 | H10 | 108.0° | 109.5° |
| C6 | N2 | C4 | 122.2° | 120.0° |
| H9 | N2 | C4 | 118.9° | 120.0° |
| C7 | C6 | C8 | 112.6° | 109.5° |
| C7 | C6 | H10 | 107.1° | 109.5° |
| C6 | C7 | O3 | 120.7° | 120.0° |
| C6 | C7 | N3 | 115.9° | 120.0° |
| C8 | C6 | H10 | 107.2° | 109.5° |
| C6 | C8 | C9 | 112.2° | 109.5° |
| C6 | C8 | H11 | 108.8° | 109.5° |
| C6 | C8 | H12 | 108.8° | 109.5° |
| O3 | C7 | N3 | 123.4° | 120.0° |
| C9 | C8 | H11 | 108.8° | 109.5° |
| C9 | C8 | H12 | 108.8° | 109.4° |
| C8 | C9 | O4 | 118.4° | 120.0° |
| C8 | C9 | O5 | 120.0° | 119.9° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| O4 | C9 | O5 | 121.6° | 120.1° |
| C9 | O5 | H13 | 109.5° | 116.9° |
| C10 | N3 | H14 | 118.0° | 120.0° |
| N3 | C10 | C11 | 111.1° | 109.5° |
| N3 | C10 | C12 | 112.4° | 109.5° |
| N3 | C10 | H15 | 108.8° | 109.5° |
| C10 | N3 | C7 | 124.1° | 120.0° |
| H14 | N3 | C7 | 118.0° | 120.0° |
| C11 | C10 | C12 | 108.6° | 109.5° |
| C11 | C10 | H15 | 108.0° | 109.4° |
| C10 | C11 | O6 | 120.2° | 120.0° |
| C10 | C11 | N4 | 116.4° | 120.0° |
| C12 | C10 | H15 | 107.7° | 109.5° |
| C10 | C12 | C13 | 111.2° | 109.5° |
| C10 | C12 | C14 | 111.5° | 109.5° |
| C10 | C12 | H16 | 107.2° | 109.5° |
| O6 | C11 | N4 | 123.4° | 120.0° |
| C13 | C12 | C14 | 111.7° | 109.4° |
| C13 | C12 | H16 | 107.5° | 109.5° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H18 | 109.4° | 109.5° |
| C12 | C13 | H19 | 109.4° | 109.4° |
| C14 | C12 | H16 | 107.5° | 109.5° |
| C12 | C14 | H20 | 109.5° | 109.4° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C12 | C14 | H22 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| C15 | N4 | H23 | 118.5° | 120.0° |
| N4 | C15 | C16 | 113.2° | 109.5° |
| N4 | C15 | C17 | 110.2° | 109.4° |
| N4 | C15 | H24 | 108.1° | 109.4° |
| C15 | N4 | C11 | 123.0° | 120.0° |
| H23 | N4 | C11 | 118.5° | 120.0° |
| C16 | C15 | C17 | 110.3° | 109.5° |
| C16 | C15 | H24 | 107.3° | 109.5° |
| C15 | C16 | O7 | 120.9° | 120.0° |
| C15 | C16 | N5 | 116.0° | 120.0° |
| C17 | C15 | H24 | 107.4° | 109.4° |
| C15 | C17 | H25 | 109.5° | 109.5° |
| C15 | C17 | H26 | 109.5° | 109.5° |
| C15 | C17 | H27 | 109.5° | 109.5° |
| O7 | C16 | N5 | 123.0° | 120.0° |
| H25 | C17 | H26 | 109.5° | 109.4° |
| H25 | C17 | H27 | 109.5° | 109.4° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| C18 | N5 | H28 | 118.5° | 120.0° |
| N5 | C18 | C19 | 113.0° | 109.4° |
| N5 | C18 | C20 | 110.6° | 109.5° |
| N5 | C18 | H29 | 107.9° | 109.5° |
| C18 | N5 | C16 | 122.9° | 120.0° |
| H28 | N5 | C16 | 118.6° | 120.0° |
| C19 | C18 | C20 | 111.0° | 109.5° |
| C19 | C18 | H29 | 107.1° | 109.4° |
| C18 | C19 | O8 | 122.1° | 120.0° |
| C18 | C19 | H30 | 118.9° | 120.0° |
| C20 | C18 | H29 | 107.0° | 109.5° |
| C18 | C20 | C21 | 112.3° | 109.5° |
| C18 | C20 | H31 | 108.8° | 109.5° |
| C18 | C20 | H32 | 108.8° | 109.5° |
| O8 | C19 | H30 | 118.9° | 120.0° |
| C21 | C20 | H31 | 108.8° | 109.5° |
| C21 | C20 | H32 | 108.8° | 109.5° |
| C20 | C21 | O9 | 118.9° | 120.0° |
| C20 | C21 | O10 | 117.6° | 120.0° |
| H31 | C20 | H32 | 109.4° | 109.4° |
| O9 | C21 | O10 | 123.5° | 120.0° |
| C21 | O10 | H33 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 173.8° | 179.8° |
| 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 | 29.4° | 0.0° |
| O1 | C1 | N1 | H4 | 150.6° | 179.9° |
| 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 | 157.0° | 179.8° |
| C2 | C1 | N1 | H4 | 23.0° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 173.8° | 179.7° |
| H2 | C2 | C1 | N1 | 66.2° | 59.8° |
| H3 | C2 | C1 | N1 | 53.7° | 60.3° |
| C3 | N1 | H4 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 123.4° | 120.0° |
| N1 | C3 | C4 | H5 | 119.5° | 120.0° |
| N1 | C3 | C5 | H5 | 118.2° | 120.0° |
| N1 | C3 | C4 | O2 | 24.5° | 0.0° |
| N1 | C3 | C5 | H6 | 180.0° | 60.0° |
| N1 | C3 | C5 | H7 | 60.0° | 180.0° |
| N1 | C3 | C5 | H8 | 60.0° | 59.9° |
| N1 | C3 | C4 | N2 | 156.6° | 180.0° |
| H4 | N1 | C3 | C4 | 76.2° | 25.0° |
| H4 | N1 | C3 | C5 | 47.0° | 95.0° |
| H4 | N1 | C3 | H5 | 164.8° | 145.1° |
| C4 | C3 | C5 | H5 | 117.0° | 120.0° |
| C3 | C4 | O2 | N2 | 178.7° | 180.0° |
| C4 | C3 | C5 | H6 | 55.3° | 60.0° |
| C4 | C3 | C5 | H7 | 175.3° | 60.0° |
| C4 | C3 | C5 | H8 | 64.7° | 179.9° |
| C3 | C4 | N2 | C6 | 176.0° | 175.1° |
| C3 | C4 | N2 | H9 | 4.0° | 4.9° |
| C4 | C3 | N1 | C1 | 103.8° | 155.0° |
| C5 | C3 | C4 | O2 | 98.9° | 120.0° |
| C3 | C5 | H6 | H7 | 120.0° | 120.0° |
| C3 | C5 | H6 | H8 | 120.0° | 120.0° |
| C3 | C5 | H7 | H8 | 120.0° | 120.1° |
| C5 | C3 | N1 | C1 | 133.0° | 85.0° |
| C5 | C3 | C4 | N2 | 80.0° | 60.0° |
| H5 | C3 | C4 | O2 | 144.1° | 120.0° |
| H5 | C3 | C5 | H6 | 61.7° | 180.0° |
| H5 | C3 | C5 | H7 | 58.2° | 60.1° |
| H5 | C3 | C5 | H8 | 178.2° | 60.0° |
| H5 | C3 | N1 | C1 | 15.2° | 35.0° |
| H5 | C3 | C4 | N2 | 37.1° | 60.0° |
| O2 | C4 | N2 | C6 | 2.8° | 4.9° |
| O2 | C4 | N2 | H9 | 177.2° | 175.1° |
| H6 | C5 | H7 | H8 | 120.0° | 120.0° |
| C6 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 124.0° | 120.0° |
| N2 | C6 | C7 | H10 | 118.5° | 120.0° |
| N2 | C6 | C8 | H10 | 116.9° | 120.0° |
| N2 | C6 | C7 | O3 | 46.1° | 0.0° |
| N2 | C6 | C8 | C9 | 64.8° | 65.7° |
| N2 | C6 | C8 | H11 | 55.7° | 54.3° |
| N2 | C6 | C8 | H12 | 174.8° | 174.4° |
| N2 | C6 | C7 | N3 | 132.8° | 180.0° |
| H9 | N2 | C6 | C7 | 97.9° | 98.4° |
| H9 | N2 | C6 | C8 | 27.9° | 21.6° |
| H9 | N2 | C6 | H10 | 144.2° | 141.6° |
| C7 | C6 | C8 | H10 | 117.5° | 120.0° |
| C6 | C7 | O3 | N3 | 178.8° | 179.9° |
| C7 | C6 | C8 | C9 | 169.5° | 174.3° |
| C7 | C6 | C8 | H11 | 70.0° | 65.7° |
| C7 | C6 | C8 | H12 | 49.1° | 54.4° |
| C6 | C7 | N3 | C10 | 177.8° | 180.0° |
| C6 | C7 | N3 | H14 | 2.2° | 0.0° |
| C7 | C6 | N2 | C4 | 82.1° | 81.6° |
| C8 | C6 | C7 | O3 | 77.9° | 120.0° |
| C6 | C8 | C9 | H11 | 120.4° | 120.0° |
| C6 | C8 | C9 | H12 | 120.4° | 120.0° |
| C6 | C8 | H11 | H12 | 118.7° | 120.0° |
| C6 | C8 | C9 | O4 | 51.8° | 5.5° |
| C6 | C8 | C9 | O5 | 129.5° | 174.5° |
| C8 | C6 | N2 | C4 | 152.1° | 158.4° |
| C8 | C6 | C7 | N3 | 103.2° | 60.0° |
| H10 | C6 | C7 | O3 | 164.5° | 120.1° |
| H10 | C6 | C8 | C9 | 52.1° | 54.3° |
| H10 | C6 | C8 | H11 | 172.5° | 174.4° |
| H10 | C6 | C8 | H12 | 68.3° | 65.6° |
| H10 | C6 | N2 | C4 | 35.8° | 38.4° |
| H10 | C6 | C7 | N3 | 14.3° | 60.0° |
| O3 | C7 | N3 | C10 | 3.4° | 0.1° |
| O3 | C7 | N3 | H14 | 176.6° | 180.0° |
| C9 | C8 | H11 | H12 | 118.7° | 120.0° |
| C8 | C9 | O4 | O5 | 178.6° | 180.0° |
| C8 | C9 | O5 | H13 | 178.6° | 179.9° |
| H11 | C8 | C9 | O4 | 172.3° | 125.5° |
| H11 | C8 | C9 | O5 | 9.1° | 54.5° |
| H12 | C8 | C9 | O4 | 68.6° | 114.5° |
| H12 | C8 | C9 | O5 | 110.1° | 65.5° |
| O4 | C9 | O5 | H13 | 0.0° | 0.2° |
| C10 | N3 | H14 | C7 | 180.0° | 179.9° |
| N3 | C10 | C11 | C12 | 124.1° | 120.1° |
| N3 | C10 | C11 | H15 | 119.3° | 119.9° |
| N3 | C10 | C12 | H15 | 119.9° | 120.0° |
| N3 | C10 | C11 | O6 | 10.9° | 0.1° |
| N3 | C10 | C12 | C13 | 64.5° | 60.0° |
| N3 | C10 | C12 | C14 | 60.8° | 60.0° |
| N3 | C10 | C12 | H16 | 178.2° | 180.0° |
| N3 | C10 | C11 | N4 | 170.1° | 180.0° |
| H14 | N3 | C10 | C11 | 48.9° | 25.1° |
| H14 | N3 | C10 | C12 | 73.1° | 95.0° |
| H14 | N3 | C10 | H15 | 167.7° | 145.0° |
| C11 | C10 | C12 | H15 | 116.8° | 119.9° |
| C10 | C11 | O6 | N4 | 178.9° | 179.9° |
| C11 | C10 | C12 | C13 | 172.1° | 180.0° |
| C11 | C10 | C12 | C14 | 62.6° | 60.0° |
| C11 | C10 | C12 | H16 | 54.8° | 60.0° |
| C10 | C11 | N4 | C15 | 177.5° | 179.9° |
| C10 | C11 | N4 | H23 | 2.5° | 0.1° |
| C11 | C10 | N3 | C7 | 131.1° | 155.0° |
| C12 | C10 | C11 | O6 | 113.3° | 120.0° |
| C10 | C12 | C13 | C14 | 125.2° | 120.0° |
| C10 | C12 | C13 | H16 | 117.1° | 120.1° |
| C10 | C12 | C14 | H16 | 117.2° | 120.1° |
| C10 | C12 | C13 | H17 | 180.0° | 59.9° |
| C10 | C12 | C13 | H18 | 60.0° | 180.0° |
| C10 | C12 | C13 | H19 | 60.0° | 60.0° |
| C10 | C12 | C14 | H20 | 180.0° | 60.0° |
| C10 | C12 | C14 | H21 | 60.0° | 180.0° |
| C10 | C12 | C14 | H22 | 60.0° | 59.9° |
| C12 | C10 | N3 | C7 | 106.9° | 85.0° |
| C12 | C10 | C11 | N4 | 65.7° | 59.9° |
| H15 | C10 | C11 | O6 | 130.2° | 120.0° |
| H15 | C10 | C12 | C13 | 55.3° | 60.1° |
| H15 | C10 | C12 | C14 | 179.3° | 180.0° |
| H15 | C10 | C12 | H16 | 62.0° | 59.9° |
| H15 | C10 | N3 | C7 | 12.3° | 35.1° |
| H15 | C10 | C11 | N4 | 50.9° | 60.1° |
| O6 | C11 | N4 | C15 | 3.5° | 0.0° |
| O6 | C11 | N4 | H23 | 176.4° | 180.0° |
| C13 | C12 | C14 | H16 | 117.7° | 119.9° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H19 | 120.0° | 119.9° |
| C12 | C13 | H18 | H19 | 120.0° | 119.9° |
| C13 | C12 | C14 | H20 | 54.9° | 180.0° |
| C13 | C12 | C14 | H21 | 65.1° | 60.0° |
| C13 | C12 | C14 | H22 | 174.9° | 60.1° |
| C14 | C12 | C13 | H17 | 54.8° | 60.1° |
| C14 | C12 | C13 | H18 | 174.8° | 60.0° |
| C14 | C12 | C13 | H19 | 65.2° | 180.0° |
| C12 | C14 | H20 | H21 | 120.0° | 120.0° |
| C12 | C14 | H20 | H22 | 120.0° | 119.9° |
| C12 | C14 | H21 | H22 | 120.0° | 120.0° |
| H16 | C12 | C13 | H17 | 62.9° | 180.0° |
| H16 | C12 | C13 | H18 | 57.1° | 59.9° |
| H16 | C12 | C13 | H19 | 177.1° | 60.0° |
| H16 | C12 | C14 | H20 | 62.8° | 60.1° |
| H16 | C12 | C14 | H21 | 177.2° | 60.0° |
| H16 | C12 | C14 | H22 | 57.2° | 180.0° |
| H17 | C13 | H18 | H19 | 120.0° | 120.0° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| C15 | N4 | H23 | C11 | 180.0° | 180.0° |
| N4 | C15 | C16 | C17 | 124.1° | 120.0° |
| N4 | C15 | C16 | H24 | 119.2° | 120.0° |
| N4 | C15 | C17 | H24 | 117.6° | 119.9° |
| N4 | C15 | C16 | O7 | 49.0° | 0.0° |
| N4 | C15 | C17 | H25 | 180.0° | 60.1° |
| N4 | C15 | C17 | H26 | 60.0° | 180.0° |
| N4 | C15 | C17 | H27 | 60.0° | 59.9° |
| N4 | C15 | C16 | N5 | 131.3° | 180.0° |
| H23 | N4 | C15 | C16 | 85.2° | 25.0° |
| H23 | N4 | C15 | C17 | 38.9° | 95.0° |
| H23 | N4 | C15 | H24 | 156.1° | 145.0° |
| C16 | C15 | C17 | H24 | 116.7° | 120.0° |
| C15 | C16 | O7 | N5 | 179.7° | 179.9° |
| C16 | C15 | C17 | H25 | 54.2° | 60.0° |
| C16 | C15 | C17 | H26 | 174.2° | 60.0° |
| C16 | C15 | C17 | H27 | 65.8° | 180.0° |
| C15 | C16 | N5 | C18 | 176.6° | 180.0° |
| C15 | C16 | N5 | H28 | 3.4° | 0.1° |
| C16 | C15 | N4 | C11 | 94.8° | 155.0° |
| C17 | C15 | C16 | O7 | 75.1° | 120.0° |
| C15 | C17 | H25 | H26 | 120.0° | 120.0° |
| C15 | C17 | H25 | H27 | 120.0° | 120.1° |
| C15 | C17 | H26 | H27 | 120.0° | 120.1° |
| C17 | C15 | N4 | C11 | 141.1° | 84.9° |
| C17 | C15 | C16 | N5 | 104.6° | 60.0° |
| H24 | C15 | C16 | O7 | 168.1° | 120.0° |
| H24 | C15 | C17 | H25 | 62.5° | 180.0° |
| H24 | C15 | C17 | H26 | 57.6° | 60.0° |
| H24 | C15 | C17 | H27 | 177.5° | 60.0° |
| H24 | C15 | N4 | C11 | 24.0° | 35.0° |
| H24 | C15 | C16 | N5 | 12.1° | 60.0° |
| O7 | C16 | N5 | C18 | 3.2° | 0.1° |
| O7 | C16 | N5 | H28 | 176.8° | 180.0° |
| H25 | C17 | H26 | H27 | 120.0° | 119.9° |
| C18 | N5 | H28 | C16 | 180.0° | 179.9° |
| N5 | C18 | C19 | C20 | 124.9° | 120.0° |
| N5 | C18 | C19 | H29 | 118.6° | 120.0° |
| N5 | C18 | C20 | H29 | 117.2° | 120.0° |
| N5 | C18 | C19 | O8 | 138.8° | 0.0° |
| N5 | C18 | C19 | H30 | 41.2° | 180.0° |
| N5 | C18 | C20 | C21 | 108.1° | 65.0° |
| N5 | C18 | C20 | H31 | 12.3° | 55.0° |
| N5 | C18 | C20 | H32 | 131.4° | 174.9° |
| H28 | N5 | C18 | C19 | 109.2° | 95.1° |
| H28 | N5 | C18 | C20 | 15.9° | 25.0° |
| H28 | N5 | C18 | H29 | 132.6° | 145.0° |
| C19 | C18 | C20 | H29 | 116.5° | 120.0° |
| C18 | C19 | O8 | H30 | 180.0° | 180.0° |
| C19 | C18 | C20 | C21 | 125.6° | 175.0° |
| C19 | C18 | C20 | H31 | 114.0° | 65.0° |
| C19 | C18 | C20 | H32 | 5.2° | 54.9° |
| C19 | C18 | N5 | C16 | 70.8° | 85.0° |
| C20 | C18 | C19 | O8 | 13.9° | 120.0° |
| C20 | C18 | C19 | H30 | 166.1° | 60.0° |
| C18 | C20 | C21 | H31 | 120.4° | 120.0° |
| C18 | C20 | C21 | H32 | 120.4° | 120.0° |
| C18 | C20 | H31 | H32 | 118.7° | 119.9° |
| C18 | C20 | C21 | O9 | 165.3° | 0.0° |
| C18 | C20 | C21 | O10 | 15.3° | 180.0° |
| C20 | C18 | N5 | C16 | 164.1° | 155.0° |
| H29 | C18 | C19 | O8 | 102.6° | 120.0° |
| H29 | C18 | C19 | H30 | 77.4° | 60.0° |
| H29 | C18 | C20 | C21 | 9.1° | 55.0° |
| H29 | C18 | C20 | H31 | 129.5° | 175.1° |
| H29 | C18 | C20 | H32 | 111.4° | 65.0° |
| H29 | C18 | N5 | C16 | 47.4° | 34.9° |
| C21 | C20 | H31 | H32 | 118.7° | 120.0° |
| C20 | C21 | O9 | O10 | 179.3° | 180.0° |
| C20 | C21 | O10 | H33 | 179.4° | 180.0° |
| H31 | C20 | C21 | O9 | 44.9° | 120.0° |
| H31 | C20 | C21 | O10 | 135.7° | 60.0° |
| H32 | C20 | C21 | O9 | 74.2° | 120.0° |
| H32 | C20 | C21 | O10 | 105.2° | 60.0° |
| O9 | C21 | O10 | H33 | 0.0° | 0.0° |
