J21
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C7 | doub | 1.21Å | 1.19Å | |
| O6 | C7 | sing | 1.34Å | 1.32Å | |
| C7 | C6 | sing | 1.51Å | 1.48Å | |
| O7 | C12 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.46Å | 1.42Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| N1 | C5 | sing | 1.35Å | 1.33Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C12 | N2 | sing | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.47Å | 1.49Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | N | sing | 1.35Å | 1.34Å | |
| C5 | O4 | doub | 1.22Å | 1.26Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C13 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C18 | O8 | sing | 1.36Å | 1.40Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | BR | sing | 1.89Å | 1.89Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| O8 | C19 | sing | 1.43Å | 1.46Å | |
| O2 | C4 | doub | 1.21Å | 1.25Å | |
| C | O1 | doub | 1.21Å | 1.27Å | |
| C | O | sing | 1.34Å | 1.33Å | |
| C4 | O3 | sing | 1.34Å | 1.33Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| N3 | C21 | sing | 1.35Å | 1.37Å | |
| N3 | C20 | sing | 1.46Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | O9 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N | H25 | sing | 0.97Å | 1.00Å | |
| O | H26 | sing | 0.97Å | 0.95Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C7 | O6 | 119.0° | 120.0° |
| O5 | C7 | C6 | 122.3° | 120.0° |
| O6 | C7 | C6 | 118.6° | 120.0° |
| C7 | O6 | H23 | 109.5° | 117.0° |
| C7 | C6 | N1 | 109.4° | 109.5° |
| C7 | C6 | C8 | 111.7° | 109.4° |
| C7 | C6 | H6 | 109.8° | 109.5° |
| O7 | C12 | N2 | 124.8° | 120.0° |
| O7 | C12 | C13 | 117.7° | 120.0° |
| N1 | C6 | C8 | 106.0° | 109.5° |
| C6 | N1 | C5 | 125.8° | 120.0° |
| N1 | C6 | H6 | 110.7° | 109.5° |
| C6 | N1 | H24 | 117.1° | 120.0° |
| C6 | C8 | C9 | 114.5° | 109.4° |
| C8 | C6 | H6 | 109.2° | 109.4° |
| C6 | C8 | H21 | 108.2° | 109.4° |
| C6 | C8 | H22 | 108.2° | 109.5° |
| N1 | C5 | N | 117.0° | 120.0° |
| N1 | C5 | O4 | 123.9° | 120.1° |
| C5 | N1 | H24 | 117.1° | 120.0° |
| N2 | C11 | C10 | 116.3° | 109.4° |
| C11 | N2 | C12 | 124.1° | 120.0° |
| N2 | C11 | H16 | 107.7° | 109.5° |
| C11 | N2 | H30 | 117.9° | 120.0° |
| N2 | C11 | H31 | 107.7° | 109.5° |
| C11 | C10 | C9 | 105.5° | 109.5° |
| C10 | C11 | H16 | 107.8° | 109.5° |
| C11 | C10 | H17 | 110.5° | 109.5° |
| C11 | C10 | H18 | 110.4° | 109.5° |
| C10 | C11 | H31 | 107.8° | 109.4° |
| N2 | C12 | C13 | 117.5° | 120.0° |
| C12 | N2 | H30 | 118.0° | 120.0° |
| C12 | C13 | C14 | 117.3° | 120.2° |
| C12 | C13 | C18 | 120.9° | 120.2° |
| C8 | C9 | C10 | 113.3° | 109.5° |
| C8 | C9 | H19 | 108.5° | 109.5° |
| C8 | C9 | H20 | 108.5° | 109.5° |
| C9 | C8 | H21 | 108.2° | 109.4° |
| C9 | C8 | H22 | 108.2° | 109.5° |
| C9 | C10 | H17 | 110.4° | 109.5° |
| C9 | C10 | H18 | 110.5° | 109.5° |
| C10 | C9 | H19 | 108.5° | 109.5° |
| C10 | C9 | H20 | 108.5° | 109.5° |
| C13 | C14 | C15 | 121.8° | 119.9° |
| C14 | C13 | C18 | 121.7° | 119.7° |
| C13 | C14 | H15 | 119.1° | 120.1° |
| C14 | C15 | C16 | 116.4° | 120.3° |
| C14 | C15 | H14 | 121.8° | 119.9° |
| C15 | C14 | H15 | 119.1° | 120.0° |
| N | C5 | O4 | 119.1° | 120.0° |
| C5 | N | C1 | 119.7° | 120.0° |
| C5 | N | H25 | 120.1° | 120.0° |
| N | C1 | C2 | 115.1° | 109.5° |
| N | C1 | C | 107.6° | 109.4° |
| N | C1 | H1 | 110.0° | 109.5° |
| C1 | N | H25 | 120.1° | 120.0° |
| C13 | C18 | O8 | 122.7° | 120.2° |
| C13 | C18 | C17 | 116.5° | 119.7° |
| C15 | C16 | C17 | 123.4° | 120.4° |
| C15 | C16 | BR | 119.5° | 119.8° |
| C16 | C15 | H14 | 121.8° | 119.8° |
| C2 | C1 | C | 105.6° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C2 | C1 | H1 | 109.0° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.4° |
| C1 | C | O1 | 124.1° | 120.0° |
| C1 | C | O | 116.0° | 120.0° |
| C | C1 | H1 | 109.5° | 109.4° |
| O8 | C18 | C17 | 120.8° | 120.1° |
| C18 | O8 | C19 | 122.7° | 117.0° |
| C18 | C17 | C16 | 120.1° | 120.1° |
| C18 | C17 | H13 | 119.9° | 120.0° |
| C17 | C16 | BR | 117.1° | 119.8° |
| C16 | C17 | H13 | 119.9° | 120.0° |
| C2 | C3 | C4 | 113.0° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C3 | C2 | H3 | 109.2° | 109.5° |
| C2 | C3 | H4 | 108.6° | 109.5° |
| C2 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | O2 | 120.5° | 120.0° |
| C3 | C4 | O3 | 120.8° | 120.0° |
| C4 | C3 | H4 | 108.6° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| O8 | C19 | C20 | 116.7° | 109.5° |
| O8 | C19 | H11 | 107.6° | 109.5° |
| O8 | C19 | H12 | 107.6° | 109.5° |
| O2 | C4 | O3 | 118.7° | 120.0° |
| O1 | C | O | 119.8° | 120.0° |
| C | O | H26 | 109.5° | 117.0° |
| C4 | O3 | H27 | 109.5° | 116.9° |
| C22 | C21 | N3 | 119.5° | 120.0° |
| C22 | C21 | O9 | 117.3° | 120.0° |
| C21 | C22 | H7 | 109.5° | 109.5° |
| C21 | C22 | H8 | 109.5° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.4° |
| C21 | N3 | C20 | 123.1° | 120.0° |
| N3 | C21 | O9 | 123.2° | 120.0° |
| C21 | N3 | H28 | 118.4° | 120.0° |
| N3 | C20 | C19 | 118.3° | 109.5° |
| N3 | C20 | H10 | 107.2° | 109.5° |
| C20 | N3 | H28 | 118.5° | 120.0° |
| N3 | C20 | H29 | 107.2° | 109.4° |
| C19 | C20 | H10 | 107.2° | 109.5° |
| C20 | C19 | H11 | 107.6° | 109.4° |
| C20 | C19 | H12 | 107.6° | 109.5° |
| C19 | C20 | H29 | 107.2° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H7 | C22 | H9 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H10 | C20 | H29 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H16 | C11 | H31 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.5° | 109.4° |
| H21 | C8 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C7 | O6 | C6 | 179.4° | 179.9° |
| O5 | C7 | C6 | N1 | 133.7° | 0.1° |
| O5 | C7 | C6 | C8 | 109.2° | 120.1° |
| O5 | C7 | C6 | H6 | 12.0° | 120.0° |
| O5 | C7 | O6 | H23 | 0.0° | 0.1° |
| O6 | C7 | C6 | N1 | 45.7° | 180.0° |
| O6 | C7 | C6 | C8 | 71.4° | 60.0° |
| O6 | C7 | C6 | H6 | 167.4° | 59.9° |
| C7 | C6 | N1 | C8 | 120.5° | 120.0° |
| C7 | C6 | N1 | H6 | 121.1° | 120.1° |
| C7 | C6 | C8 | H6 | 121.6° | 120.0° |
| C7 | C6 | N1 | C5 | 153.1° | 85.0° |
| C7 | C6 | C8 | C9 | 64.3° | 175.0° |
| C7 | C6 | C8 | H21 | 175.0° | 65.1° |
| C7 | C6 | C8 | H22 | 56.4° | 55.0° |
| C6 | C7 | O6 | H23 | 179.4° | 180.0° |
| C7 | C6 | N1 | H24 | 26.9° | 94.9° |
| O7 | C12 | N2 | C11 | 1.6° | 0.1° |
| O7 | C12 | N2 | C13 | 179.9° | 180.0° |
| O7 | C12 | C13 | C14 | 8.7° | 180.0° |
| O7 | C12 | C13 | C18 | 174.0° | 0.5° |
| O7 | C12 | N2 | H30 | 178.4° | 180.0° |
| N1 | C6 | C8 | H6 | 119.4° | 120.0° |
| C6 | N1 | C5 | H24 | 180.0° | 179.9° |
| N1 | C6 | C8 | C9 | 176.7° | 65.0° |
| C6 | N1 | C5 | N | 173.9° | 180.0° |
| C6 | N1 | C5 | O4 | 4.1° | 0.0° |
| N1 | C6 | C8 | H21 | 55.9° | 55.0° |
| N1 | C6 | C8 | H22 | 62.6° | 175.0° |
| C8 | C6 | N1 | C5 | 86.4° | 155.0° |
| C6 | C8 | C9 | H21 | 120.7° | 119.9° |
| C6 | C8 | C9 | H22 | 120.7° | 120.1° |
| C6 | C8 | C9 | C10 | 166.9° | 180.0° |
| C6 | C8 | C9 | H19 | 46.4° | 60.0° |
| C6 | C8 | C9 | H20 | 72.5° | 60.0° |
| C6 | C8 | H21 | H22 | 117.7° | 120.1° |
| C8 | C6 | N1 | H24 | 93.6° | 25.1° |
| N1 | C5 | N | O4 | 178.2° | 179.9° |
| N1 | C5 | N | C1 | 161.7° | 180.0° |
| C5 | N1 | C6 | H6 | 32.0° | 35.1° |
| N1 | C5 | N | H25 | 18.3° | 0.1° |
| N2 | C11 | C10 | H16 | 121.0° | 120.0° |
| N2 | C11 | C10 | H31 | 121.0° | 119.9° |
| C11 | N2 | C12 | H30 | 180.0° | 179.9° |
| C11 | N2 | C12 | C13 | 178.5° | 180.0° |
| N2 | C11 | C10 | C9 | 169.2° | 180.0° |
| N2 | C11 | H16 | H31 | 116.9° | 120.0° |
| N2 | C11 | C10 | H17 | 49.8° | 60.0° |
| N2 | C11 | C10 | H18 | 71.4° | 60.0° |
| C10 | C11 | N2 | C12 | 172.2° | 180.0° |
| C11 | C10 | C9 | C8 | 95.3° | 180.0° |
| C11 | C10 | C9 | H17 | 119.4° | 120.0° |
| C11 | C10 | C9 | H18 | 119.4° | 120.0° |
| C10 | C11 | H16 | H31 | 116.9° | 120.0° |
| C11 | C10 | H17 | H18 | 121.8° | 120.0° |
| C11 | C10 | C9 | H19 | 25.3° | 60.0° |
| C11 | C10 | C9 | H20 | 144.2° | 60.0° |
| C10 | C11 | N2 | H30 | 7.8° | 0.0° |
| N2 | C12 | C13 | C14 | 171.5° | 0.0° |
| N2 | C12 | C13 | C18 | 5.8° | 179.5° |
| C12 | N2 | C11 | H16 | 66.8° | 60.0° |
| C12 | N2 | C11 | H31 | 51.2° | 60.1° |
| C12 | C13 | C14 | C18 | 177.3° | 179.5° |
| C12 | C13 | C14 | C15 | 178.3° | 180.0° |
| C12 | C13 | C18 | O8 | 1.9° | 0.3° |
| C12 | C13 | C18 | C17 | 178.4° | 180.0° |
| C12 | C13 | C14 | H15 | 1.8° | 0.5° |
| C13 | C12 | N2 | H30 | 1.4° | 0.0° |
| C8 | C9 | C10 | H19 | 120.6° | 120.0° |
| C8 | C9 | C10 | H20 | 120.6° | 120.0° |
| C9 | C8 | C6 | H6 | 57.3° | 55.0° |
| C8 | C9 | C10 | H17 | 24.1° | 60.0° |
| C8 | C9 | C10 | H18 | 145.4° | 60.0° |
| C8 | C9 | H19 | H20 | 118.3° | 120.0° |
| C9 | C8 | H21 | H22 | 117.7° | 120.0° |
| C9 | C10 | C11 | H16 | 69.8° | 60.0° |
| C9 | C10 | H17 | H18 | 121.8° | 120.0° |
| C10 | C9 | H19 | H20 | 118.2° | 120.0° |
| C10 | C9 | C8 | H21 | 72.3° | 60.0° |
| C10 | C9 | C8 | H22 | 46.2° | 60.0° |
| C9 | C10 | C11 | H31 | 48.3° | 60.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.5° |
| C13 | C14 | C15 | C16 | 0.6° | 0.3° |
| C14 | C13 | C18 | O8 | 179.1° | 179.7° |
| C14 | C13 | C18 | C17 | 1.3° | 0.6° |
| C13 | C14 | C15 | H14 | 179.4° | 179.7° |
| C15 | C14 | C13 | C18 | 1.0° | 0.5° |
| C14 | C15 | C16 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 2.0° | 0.0° |
| C14 | C15 | C16 | BR | 176.8° | 180.0° |
| C5 | N | C1 | H25 | 180.0° | 180.0° |
| C5 | N | C1 | C2 | 170.8° | 155.0° |
| C5 | N | C1 | C | 53.5° | 85.0° |
| C5 | N | C1 | H1 | 65.6° | 35.0° |
| N | C5 | N1 | H24 | 6.1° | 0.0° |
| O4 | C5 | N | C1 | 16.5° | 0.0° |
| O4 | C5 | N1 | H24 | 175.9° | 179.9° |
| O4 | C5 | N | H25 | 163.5° | 180.0° |
| N | C1 | C2 | C | 118.4° | 120.0° |
| N | C1 | C2 | H1 | 124.1° | 120.0° |
| N | C1 | C | H1 | 119.6° | 120.0° |
| N | C1 | C2 | C3 | 51.4° | 65.0° |
| N | C1 | C | O1 | 28.4° | 0.0° |
| N | C1 | C | O | 153.6° | 180.0° |
| N | C1 | C2 | H2 | 171.5° | 55.0° |
| N | C1 | C2 | H3 | 68.7° | 175.0° |
| C13 | C18 | O8 | C17 | 179.6° | 179.7° |
| C13 | C18 | C17 | C16 | 0.0° | 0.3° |
| C13 | C18 | O8 | C19 | 178.4° | 179.7° |
| C13 | C18 | C17 | H13 | 180.0° | 179.8° |
| C18 | C13 | C14 | H15 | 179.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.7° | 0.0° |
| C15 | C16 | C17 | BR | 178.7° | 180.0° |
| C15 | C16 | C17 | H13 | 178.3° | 180.0° |
| C16 | C15 | C14 | H15 | 179.4° | 179.7° |
| C2 | C1 | C | H1 | 117.1° | 120.0° |
| C1 | C2 | C3 | H2 | 120.1° | 120.0° |
| C1 | C2 | C3 | H3 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 169.6° | 180.0° |
| C2 | C1 | C | O1 | 94.9° | 120.0° |
| C2 | C1 | C | O | 83.1° | 60.0° |
| C1 | C2 | H2 | H3 | 119.6° | 120.0° |
| C1 | C2 | C3 | H4 | 69.9° | 60.0° |
| C1 | C2 | C3 | H5 | 49.1° | 60.0° |
| C2 | C1 | N | H25 | 9.1° | 25.0° |
| C | C1 | C2 | C3 | 67.0° | 175.0° |
| C1 | C | O1 | O | 178.0° | 180.0° |
| C | C1 | C2 | H2 | 53.1° | 65.0° |
| C | C1 | C2 | H3 | 172.8° | 55.0° |
| C | C1 | N | H25 | 126.4° | 95.0° |
| C1 | C | O | H26 | 178.1° | 179.9° |
| O8 | C18 | C17 | C16 | 179.6° | 180.0° |
| C18 | O8 | C19 | C20 | 171.3° | 180.0° |
| C18 | O8 | C19 | H11 | 50.2° | 60.0° |
| C18 | O8 | C19 | H12 | 67.7° | 60.0° |
| O8 | C18 | C17 | H13 | 0.4° | 0.1° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C18 | C17 | C16 | BR | 177.1° | 180.0° |
| C17 | C18 | O8 | C19 | 1.9° | 0.0° |
| C17 | C16 | C15 | H14 | 178.1° | 179.9° |
| BR | C16 | C17 | H13 | 2.9° | 0.0° |
| BR | C16 | C15 | H14 | 3.2° | 0.1° |
| C2 | C3 | C4 | H4 | 120.5° | 120.1° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C2 | C3 | C4 | O2 | 158.7° | 0.1° |
| C2 | C3 | C4 | O3 | 21.3° | 180.0° |
| C3 | C2 | C1 | H1 | 175.5° | 55.0° |
| C3 | C2 | H2 | H3 | 119.6° | 120.0° |
| C2 | C3 | H4 | H5 | 118.4° | 120.0° |
| C3 | C4 | O2 | O3 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 49.5° | 60.0° |
| C4 | C3 | C2 | H3 | 70.2° | 60.0° |
| C4 | C3 | H4 | H5 | 118.4° | 120.0° |
| C3 | C4 | O3 | H27 | 180.0° | 180.0° |
| O8 | C19 | C20 | N3 | 36.2° | 65.0° |
| O8 | C19 | C20 | H11 | 121.0° | 120.0° |
| O8 | C19 | C20 | H12 | 121.0° | 120.0° |
| O8 | C19 | C20 | H10 | 157.5° | 55.0° |
| O8 | C19 | H11 | H12 | 116.7° | 120.0° |
| O8 | C19 | C20 | H29 | 85.0° | 175.0° |
| O2 | C4 | C3 | H4 | 38.2° | 120.0° |
| O2 | C4 | C3 | H5 | 80.8° | 120.1° |
| O2 | C4 | O3 | H27 | 0.0° | 0.1° |
| O1 | C | C1 | H1 | 148.0° | 120.0° |
| O1 | C | O | H26 | 0.0° | 0.1° |
| O | C | C1 | H1 | 34.0° | 60.0° |
| O3 | C4 | C3 | H4 | 141.9° | 59.9° |
| O3 | C4 | C3 | H5 | 99.2° | 60.0° |
| C22 | C21 | N3 | O9 | 178.8° | 180.0° |
| C22 | C21 | N3 | C20 | 177.1° | 180.0° |
| C21 | C22 | H7 | H8 | 120.0° | 120.0° |
| C21 | C22 | H7 | H9 | 120.0° | 120.0° |
| C21 | C22 | H8 | H9 | 120.0° | 119.9° |
| C22 | C21 | N3 | H28 | 2.9° | 0.0° |
| C21 | N3 | C20 | H28 | 180.0° | 180.0° |
| C21 | N3 | C20 | C19 | 177.8° | 180.0° |
| N3 | C21 | C22 | H7 | 178.9° | 180.0° |
| N3 | C21 | C22 | H8 | 58.9° | 60.0° |
| N3 | C21 | C22 | H9 | 61.1° | 60.0° |
| C21 | N3 | C20 | H10 | 56.5° | 60.0° |
| C21 | N3 | C20 | H29 | 61.0° | 60.0° |
| N3 | C20 | C19 | H10 | 121.3° | 120.0° |
| N3 | C20 | C19 | H29 | 121.3° | 120.0° |
| C20 | N3 | C21 | O9 | 1.7° | 0.0° |
| N3 | C20 | H10 | H29 | 116.0° | 120.0° |
| N3 | C20 | C19 | H11 | 157.3° | 175.0° |
| N3 | C20 | C19 | H12 | 84.8° | 55.0° |
| C19 | C20 | H10 | H29 | 116.0° | 120.0° |
| C20 | C19 | H11 | H12 | 116.7° | 120.0° |
| C19 | C20 | N3 | H28 | 2.2° | 0.0° |
| O9 | C21 | C22 | H7 | 0.0° | 0.0° |
| O9 | C21 | C22 | H8 | 120.0° | 120.0° |
| O9 | C21 | C22 | H9 | 120.0° | 120.1° |
| O9 | C21 | N3 | H28 | 178.3° | 180.0° |
| H1 | C1 | C2 | H2 | 64.4° | 175.0° |
| H1 | C1 | C2 | H3 | 55.4° | 65.0° |
| H1 | C1 | N | H25 | 114.4° | 145.1° |
| H2 | C2 | C3 | H4 | 170.0° | NaN° |
| H2 | C2 | C3 | H5 | 71.1° | 60.0° |
| H3 | C2 | C3 | H4 | 50.3° | 60.0° |
| H3 | C2 | C3 | H5 | 169.2° | 180.0° |
| H6 | C6 | C8 | H21 | 63.4° | 175.0° |
| H6 | C6 | C8 | H22 | 178.0° | 65.0° |
| H6 | C6 | N1 | H24 | 148.0° | 145.0° |
| H7 | C22 | H8 | H9 | 120.0° | 120.1° |
| H10 | C20 | C19 | H11 | 81.5° | 65.0° |
| H10 | C20 | C19 | H12 | 36.5° | 175.0° |
| H10 | C20 | N3 | H28 | 123.5° | 120.0° |
| H11 | C19 | C20 | H29 | 36.0° | 55.0° |
| H12 | C19 | C20 | H29 | 153.9° | 65.0° |
| H14 | C15 | C14 | H15 | 0.6° | 0.2° |
| H16 | C11 | C10 | H17 | 170.8° | NaN° |
| H16 | C11 | C10 | H18 | 49.6° | 60.0° |
| H16 | C11 | N2 | H30 | 113.2° | 120.0° |
| H17 | C10 | C9 | H19 | 144.7° | 180.0° |
| H17 | C10 | C9 | H20 | 96.4° | 60.0° |
| H17 | C10 | C11 | H31 | 71.1° | 60.0° |
| H18 | C10 | C9 | H19 | 94.0° | 60.0° |
| H18 | C10 | C9 | H20 | 24.8° | 180.0° |
| H18 | C10 | C11 | H31 | 167.7° | 180.0° |
| H19 | C9 | C8 | H21 | 167.1° | 60.0° |
| H19 | C9 | C8 | H22 | 74.4° | 180.0° |
| H20 | C9 | C8 | H21 | 48.2° | 180.0° |
| H20 | C9 | C8 | H22 | 166.8° | 60.0° |
| H28 | N3 | C20 | H29 | 119.0° | 120.0° |
| H30 | N2 | C11 | H31 | 128.8° | 120.0° |
