A1JCH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | N6 | doub | 1.29Å | 1.29Å | Aromatic |
| N7 | N8 | sing | 1.29Å | 1.36Å | Aromatic |
| N6 | N5 | sing | 1.29Å | 1.35Å | Aromatic |
| N8 | C19 | sing | 1.35Å | 1.32Å | Aromatic |
| N5 | C19 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | O8 | sing | 1.43Å | 1.41Å | |
| O8 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C1 | sing | 1.53Å | 1.58Å | |
| O1 | P | doub | 1.48Å | 1.50Å | |
| O3 | P | sing | 1.61Å | 1.54Å | |
| C1 | O4 | sing | 1.43Å | 1.44Å | |
| C1 | P | sing | 1.82Å | 1.83Å | |
| C1 | C | sing | 1.53Å | 1.55Å | |
| O4 | C2 | sing | 1.43Å | 1.43Å | |
| P | O2 | sing | 1.61Å | 1.52Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| O5 | C3 | sing | 1.45Å | 1.44Å | |
| O5 | C4 | sing | 1.44Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C6 | sing | 1.54Å | 1.52Å | |
| O7 | C5 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | N | sing | 1.47Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| CL | C10 | sing | 1.74Å | 1.74Å | |
| N2 | C9 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| N | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C7 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C8 | C11 | doub | 1.41Å | 1.44Å | Aromatic |
| N3 | C11 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | N4 | sing | 1.38Å | 1.35Å | |
| C13 | C12 | sing | 1.54Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.49Å | |
| N4 | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.49Å | |
| C16 | C15 | sing | 1.54Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| O | H26 | sing | 0.97Å | 0.95Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å | |
| N8 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | N7 | N8 | 110.6° | 108.8° |
| N7 | N6 | N5 | 106.1° | 109.4° |
| N7 | N8 | C19 | 106.2° | 107.2° |
| N7 | N8 | H29 | 126.9° | 126.4° |
| N6 | N5 | C19 | 109.1° | 108.0° |
| N8 | C19 | N5 | 108.0° | 106.6° |
| N8 | C19 | C18 | 123.8° | 126.7° |
| C19 | N8 | H29 | 126.9° | 126.4° |
| N5 | C19 | C18 | 128.2° | 126.7° |
| C19 | C18 | O8 | 109.4° | 109.5° |
| C19 | C18 | H15 | 109.5° | 109.5° |
| C19 | C18 | H16 | 109.5° | 109.5° |
| C18 | O8 | C17 | 111.5° | 114.0° |
| O8 | C18 | H15 | 109.5° | 109.5° |
| O8 | C18 | H16 | 109.5° | 109.5° |
| O8 | C17 | C1 | 108.7° | 109.5° |
| O8 | C17 | H13 | 109.7° | 109.5° |
| O8 | C17 | H14 | 109.7° | 109.5° |
| C17 | C1 | O4 | 104.8° | 109.5° |
| C17 | C1 | P | 107.8° | 109.5° |
| C17 | C1 | C | 109.5° | 109.4° |
| C1 | C17 | H13 | 109.7° | 109.5° |
| C1 | C17 | H14 | 109.7° | 109.5° |
| O1 | P | O3 | 112.5° | 109.4° |
| O1 | P | C1 | 107.1° | 109.5° |
| O1 | P | O2 | 113.0° | 109.4° |
| O3 | P | C1 | 113.6° | 109.5° |
| O3 | P | O2 | 106.8° | 109.5° |
| P | O3 | H28 | 109.5° | 114.0° |
| O4 | C1 | P | 116.9° | 109.5° |
| O4 | C1 | C | 111.1° | 109.5° |
| C1 | O4 | C2 | 120.4° | 114.0° |
| P | C1 | C | 106.7° | 109.5° |
| C1 | P | O2 | 103.7° | 109.5° |
| C1 | C | O | 110.4° | 109.5° |
| C1 | C | H24 | 109.3° | 109.5° |
| C1 | C | H25 | 109.2° | 109.4° |
| O4 | C2 | C3 | 109.0° | 109.5° |
| O4 | C2 | H1 | 109.6° | 109.4° |
| O4 | C2 | H2 | 109.6° | 109.4° |
| P | O2 | H27 | 109.5° | 113.9° |
| O | C | H24 | 109.2° | 109.5° |
| O | C | H25 | 109.3° | 109.5° |
| C | O | H26 | 109.5° | 114.0° |
| C3 | O5 | C4 | 110.3° | 105.3° |
| O5 | C3 | C2 | 108.7° | 110.4° |
| O5 | C3 | C6 | 104.5° | 104.8° |
| O5 | C3 | H3 | 110.3° | 110.4° |
| O5 | C4 | C5 | 107.4° | 104.9° |
| O5 | C4 | N | 110.5° | 110.4° |
| O5 | C4 | H4 | 109.2° | 110.5° |
| C2 | C3 | C6 | 114.7° | 110.4° |
| C3 | C2 | H1 | 109.6° | 109.5° |
| C3 | C2 | H2 | 109.6° | 109.5° |
| C2 | C3 | H3 | 109.4° | 110.4° |
| C3 | C6 | O6 | 113.6° | 110.5° |
| C3 | C6 | C5 | 102.5° | 104.0° |
| C6 | C3 | H3 | 109.2° | 110.4° |
| C3 | C6 | H6 | 109.0° | 110.5° |
| O7 | C5 | C4 | 108.8° | 110.5° |
| O7 | C5 | C6 | 114.8° | 110.6° |
| O7 | C5 | H5 | 111.4° | 110.5° |
| C5 | O7 | H22 | 109.5° | 114.0° |
| C5 | C4 | N | 112.9° | 110.4° |
| C4 | C5 | C6 | 101.8° | 104.1° |
| C5 | C4 | H4 | 107.8° | 110.4° |
| C4 | C5 | H5 | 109.9° | 110.5° |
| C4 | N | C9 | 127.4° | 125.9° |
| C4 | N | N1 | 121.5° | 125.8° |
| N | C4 | H4 | 108.9° | 110.3° |
| O6 | C6 | C5 | 111.9° | 110.5° |
| O6 | C6 | H6 | 110.4° | 110.5° |
| C6 | O6 | H23 | 109.5° | 114.0° |
| C6 | C5 | H5 | 109.8° | 110.5° |
| C5 | C6 | H6 | 109.0° | 110.6° |
| CL | C10 | N2 | 115.0° | 118.7° |
| CL | C10 | N3 | 115.1° | 118.7° |
| C9 | N2 | C10 | 112.2° | 120.7° |
| N2 | C9 | N | 126.5° | 134.6° |
| N2 | C9 | C8 | 126.4° | 118.9° |
| N2 | C10 | N3 | 129.9° | 122.6° |
| C9 | N | N1 | 111.1° | 108.3° |
| N | C9 | C8 | 107.0° | 106.6° |
| N | N1 | C7 | 106.1° | 109.7° |
| C9 | C8 | C7 | 104.4° | 107.0° |
| C9 | C8 | C11 | 114.2° | 118.3° |
| C10 | N3 | C11 | 116.8° | 121.2° |
| N1 | C7 | C8 | 111.4° | 108.4° |
| N1 | C7 | H7 | 124.3° | 125.8° |
| C7 | C8 | C11 | 141.4° | 134.7° |
| C8 | C7 | H7 | 124.3° | 125.8° |
| C8 | C11 | N3 | 120.4° | 118.4° |
| C8 | C11 | N4 | 121.7° | 120.8° |
| N3 | C11 | N4 | 117.9° | 120.8° |
| C11 | N4 | C12 | 129.0° | 120.0° |
| C11 | N4 | H17 | 104.4° | 120.0° |
| C12 | C13 | C14 | 103.8° | 104.2° |
| C13 | C12 | N4 | 113.0° | 110.1° |
| C13 | C12 | C16 | 103.5° | 106.6° |
| C13 | C12 | H8 | 109.4° | 110.0° |
| C12 | C13 | H20 | 110.9° | 110.5° |
| C12 | C13 | H21 | 110.9° | 110.5° |
| C13 | C14 | C15 | 103.1° | 102.8° |
| C13 | C14 | H18 | 111.0° | 110.7° |
| C13 | C14 | H19 | 111.0° | 110.9° |
| C14 | C13 | H20 | 110.9° | 110.5° |
| C14 | C13 | H21 | 110.8° | 110.5° |
| N4 | C12 | C16 | 111.1° | 110.1° |
| N4 | C12 | H8 | 110.3° | 110.0° |
| C12 | N4 | H17 | 104.4° | 120.0° |
| C12 | C16 | C15 | 105.2° | 106.6° |
| C16 | C12 | H8 | 109.3° | 110.0° |
| C12 | C16 | H11 | 110.5° | 110.0° |
| C12 | C16 | H12 | 110.5° | 110.0° |
| C14 | C15 | C16 | 107.5° | 104.2° |
| C14 | C15 | H9 | 110.0° | 110.5° |
| C14 | C15 | H10 | 110.0° | 110.6° |
| C15 | C14 | H18 | 111.0° | 110.8° |
| C15 | C14 | H19 | 111.0° | 110.7° |
| C16 | C15 | H9 | 109.9° | 110.4° |
| C16 | C15 | H10 | 109.9° | 110.5° |
| C15 | C16 | H11 | 110.5° | 110.1° |
| C15 | C16 | H12 | 110.5° | 110.1° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 110.4° |
| H11 | C16 | H12 | 109.5° | 110.1° |
| H13 | C17 | H14 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 110.7° |
| H20 | C13 | H21 | 109.5° | 110.5° |
| H24 | C | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | N7 | N8 | C19 | 0.5° | 0.0° |
| N7 | N6 | N5 | C19 | 0.7° | 0.3° |
| N6 | N7 | N8 | H29 | 179.5° | 180.0° |
| N8 | N7 | N6 | N5 | 0.7° | 0.2° |
| N7 | N8 | C19 | H29 | 180.0° | 180.0° |
| N7 | N8 | C19 | N5 | 0.0° | 0.2° |
| N7 | N8 | C19 | C18 | 179.9° | 180.0° |
| N6 | N5 | C19 | N8 | 0.5° | 0.3° |
| N6 | N5 | C19 | C18 | 179.4° | 179.9° |
| N8 | C19 | N5 | C18 | 179.9° | 179.8° |
| N8 | C19 | C18 | O8 | 113.4° | 0.0° |
| N8 | C19 | C18 | H15 | 126.6° | 120.0° |
| N8 | C19 | C18 | H16 | 6.6° | 120.0° |
| N5 | C19 | C18 | O8 | 66.5° | 179.7° |
| N5 | C19 | C18 | H15 | 53.5° | 60.3° |
| N5 | C19 | C18 | H16 | 173.5° | 59.7° |
| N5 | C19 | N8 | H29 | 180.0° | 179.8° |
| C19 | C18 | O8 | H15 | 120.0° | 120.0° |
| C19 | C18 | O8 | H16 | 120.0° | 120.0° |
| C19 | C18 | O8 | C17 | 179.4° | 180.0° |
| C19 | C18 | H15 | H16 | 120.1° | 120.0° |
| C18 | C19 | N8 | H29 | 0.1° | 0.0° |
| C18 | O8 | C17 | C1 | 167.9° | 180.0° |
| C18 | O8 | C17 | H13 | 72.3° | 60.0° |
| C18 | O8 | C17 | H14 | 48.0° | 60.0° |
| O8 | C18 | H15 | H16 | 120.0° | 120.0° |
| O8 | C17 | C1 | H13 | 119.9° | 120.0° |
| O8 | C17 | C1 | H14 | 119.9° | 120.0° |
| O8 | C17 | C1 | O4 | 57.8° | 180.0° |
| O8 | C17 | C1 | P | 67.3° | 60.0° |
| O8 | C17 | C1 | C | 177.0° | 60.0° |
| O8 | C17 | H13 | H14 | 120.4° | 120.0° |
| C17 | O8 | C18 | H15 | 59.4° | 60.0° |
| C17 | O8 | C18 | H16 | 60.6° | 60.0° |
| C17 | C1 | P | O1 | 51.1° | 44.6° |
| C17 | C1 | P | O3 | 73.7° | 75.4° |
| C17 | C1 | O4 | P | 119.2° | 120.0° |
| C17 | C1 | O4 | C | 118.1° | 120.0° |
| C17 | C1 | P | C | 117.5° | 120.0° |
| C17 | C1 | O4 | C2 | 176.6° | 176.6° |
| C17 | C1 | P | O2 | 170.8° | 164.6° |
| C17 | C1 | C | O | 56.0° | 60.0° |
| C1 | C17 | H13 | H14 | 120.4° | 120.0° |
| C17 | C1 | C | H24 | 176.1° | 180.0° |
| C17 | C1 | C | H25 | 64.2° | 60.0° |
| O1 | P | O3 | C1 | 121.8° | 120.0° |
| O1 | P | O3 | O2 | 124.5° | 119.9° |
| O1 | P | C1 | O4 | 168.7° | 164.6° |
| O1 | P | C1 | O2 | 119.7° | 120.0° |
| O1 | P | C1 | C | 66.4° | 75.4° |
| O1 | P | O2 | H27 | 0.0° | 173.7° |
| O1 | P | O3 | H28 | 0.0° | 60.0° |
| O3 | P | C1 | O4 | 43.9° | 44.6° |
| O3 | P | C1 | O2 | 115.5° | 120.0° |
| O3 | P | C1 | C | 168.8° | 164.6° |
| O3 | P | O2 | H27 | 124.2° | 66.3° |
| O4 | C1 | P | C | 124.9° | 120.0° |
| O4 | C1 | P | O2 | 71.7° | 75.4° |
| O4 | C1 | C | O | 59.3° | 60.0° |
| C1 | O4 | C2 | C3 | 167.5° | 174.5° |
| C1 | O4 | C2 | H1 | 72.6° | 54.5° |
| C1 | O4 | C2 | H2 | 47.5° | 65.5° |
| O4 | C1 | C17 | H13 | 177.7° | 60.0° |
| O4 | C1 | C17 | H14 | 62.1° | 60.0° |
| O4 | C1 | C | H24 | 60.9° | 60.0° |
| O4 | C1 | C | H25 | 179.4° | 180.0° |
| P | C1 | O4 | C2 | 57.4° | 56.6° |
| P | C1 | C | O | 172.3° | 180.0° |
| P | C1 | C17 | H13 | 52.6° | 60.0° |
| P | C1 | C17 | H14 | 172.8° | 180.0° |
| P | C1 | C | H24 | 67.6° | 60.0° |
| P | C1 | C | H25 | 52.2° | 60.0° |
| C1 | P | O2 | H27 | 115.6° | 53.7° |
| C1 | P | O3 | H28 | 121.8° | 180.0° |
| C | C1 | O4 | C2 | 65.3° | 63.4° |
| C | C1 | P | O2 | 53.3° | 44.6° |
| C1 | C | O | H24 | 120.1° | 120.0° |
| C1 | C | O | H25 | 120.1° | 120.0° |
| C | C1 | C17 | H13 | 63.1° | 180.0° |
| C | C1 | C17 | H14 | 57.1° | 60.0° |
| C1 | C | H24 | H25 | 119.6° | 119.9° |
| C1 | C | O | H26 | 180.0° | 180.0° |
| O4 | C2 | C3 | O5 | 103.2° | 69.6° |
| O4 | C2 | C3 | H1 | 119.9° | 120.0° |
| O4 | C2 | C3 | H2 | 119.9° | 120.0° |
| O4 | C2 | C3 | C6 | 140.4° | 175.0° |
| O4 | C2 | H1 | H2 | 120.2° | 120.0° |
| O4 | C2 | C3 | H3 | 17.3° | 52.7° |
| O2 | P | O3 | H28 | 124.6° | 59.9° |
| O | C | H24 | H25 | 119.6° | 120.0° |
| O5 | C3 | C2 | C6 | 116.5° | 115.4° |
| O5 | C3 | C2 | H3 | 120.5° | 122.3° |
| O5 | C3 | C6 | H3 | 118.0° | 118.9° |
| C3 | O5 | C4 | C5 | 3.9° | 40.5° |
| C3 | O5 | C4 | N | 119.7° | 159.3° |
| O5 | C3 | C6 | O6 | 154.8° | 142.6° |
| O5 | C3 | C6 | C5 | 33.9° | 24.0° |
| O5 | C3 | C2 | H1 | 16.8° | 170.4° |
| O5 | C3 | C2 | H2 | 136.9° | 50.4° |
| C3 | O5 | C4 | H4 | 120.6° | 78.4° |
| O5 | C3 | C6 | H6 | 81.5° | 94.8° |
| C4 | O5 | C3 | C2 | 141.8° | 159.3° |
| C4 | O5 | C3 | C6 | 19.0° | 40.5° |
| O5 | C4 | C5 | O7 | 96.6° | 142.8° |
| O5 | C4 | C5 | N | 122.1° | 118.9° |
| O5 | C4 | C5 | H4 | 117.6° | 119.0° |
| O5 | C4 | N | H4 | 119.9° | 122.4° |
| O5 | C4 | C5 | C6 | 24.9° | 24.0° |
| O5 | C4 | N | C9 | 134.6° | 139.6° |
| O5 | C4 | N | N1 | 47.0° | 40.7° |
| C4 | O5 | C3 | H3 | 98.2° | 78.4° |
| O5 | C4 | C5 | H5 | 141.3° | 94.6° |
| C2 | C3 | C6 | H3 | 123.1° | 122.3° |
| C2 | C3 | C6 | O6 | 86.3° | 98.6° |
| C2 | C3 | C6 | C5 | 152.7° | 142.8° |
| C3 | C2 | H1 | H2 | 120.2° | 120.0° |
| C2 | C3 | C6 | H6 | 37.3° | 24.0° |
| C3 | C6 | C5 | O7 | 82.1° | 118.7° |
| C3 | C6 | C5 | C4 | 35.2° | 0.0° |
| C3 | C6 | O6 | C5 | 115.5° | 114.6° |
| C3 | C6 | O6 | H6 | 122.9° | 122.6° |
| C3 | C6 | C5 | H6 | 115.4° | 118.7° |
| C6 | C3 | C2 | H1 | 99.7° | 55.0° |
| C6 | C3 | C2 | H2 | 20.5° | 65.0° |
| C3 | C6 | C5 | H5 | 151.6° | 118.7° |
| C3 | C6 | O6 | H23 | 180.0° | 180.0° |
| O7 | C5 | C4 | C6 | 121.5° | 118.8° |
| O7 | C5 | C4 | H5 | 122.1° | 122.6° |
| O7 | C5 | C4 | N | 141.3° | 98.4° |
| O7 | C5 | C6 | O6 | 40.1° | 0.1° |
| O7 | C5 | C6 | H5 | 126.3° | 122.6° |
| O7 | C5 | C4 | H4 | 21.0° | 23.8° |
| O7 | C5 | C6 | H6 | 162.5° | 122.6° |
| C5 | C4 | N | H4 | 119.7° | 122.2° |
| C4 | C5 | C6 | O6 | 157.4° | 118.6° |
| C4 | C5 | C6 | H5 | 116.4° | 118.7° |
| C5 | C4 | N | C9 | 105.0° | 105.0° |
| C5 | C4 | N | N1 | 73.3° | 74.8° |
| C4 | C5 | C6 | H6 | 80.2° | 118.7° |
| C4 | C5 | O7 | H22 | 180.0° | 180.0° |
| N | C4 | C5 | C6 | 97.2° | 142.8° |
| C4 | N | C9 | N2 | 1.1° | 0.1° |
| C4 | N | C9 | N1 | 178.5° | 179.8° |
| C4 | N | C9 | C8 | 179.0° | 179.8° |
| C4 | N | N1 | C7 | 179.2° | 179.9° |
| N | C4 | C5 | H5 | 19.2° | 24.2° |
| O6 | C6 | C5 | H6 | 122.4° | 122.7° |
| O6 | C6 | C3 | H3 | 36.8° | 23.7° |
| O6 | C6 | C5 | H5 | 86.3° | 122.7° |
| C5 | C6 | C3 | H3 | 84.1° | 94.9° |
| C6 | C5 | C4 | H4 | 142.5° | 95.0° |
| C6 | C5 | O7 | H22 | 66.8° | 65.2° |
| C5 | C6 | O6 | H23 | 64.5° | 65.4° |
| CL | C10 | N2 | C9 | 180.0° | 180.0° |
| CL | C10 | N2 | N3 | 180.0° | 180.0° |
| CL | C10 | N3 | C11 | 179.7° | 180.0° |
| N2 | C9 | N | C8 | 180.0° | 179.9° |
| N2 | C9 | N | N1 | 179.6° | 179.9° |
| C9 | N2 | C10 | N3 | 0.0° | 0.0° |
| N2 | C9 | C8 | C7 | 179.8° | 180.0° |
| N2 | C9 | C8 | C11 | 1.0° | 0.0° |
| C10 | N2 | C9 | N | 179.6° | 179.9° |
| C10 | N2 | C9 | C8 | 0.4° | 0.0° |
| N2 | C10 | N3 | C11 | 0.3° | 0.0° |
| C9 | N | N1 | C7 | 0.6° | 0.2° |
| N | C9 | C8 | C7 | 0.2° | 0.1° |
| N | C9 | C8 | C11 | 179.0° | 179.9° |
| C9 | N | C4 | H4 | 14.7° | 17.3° |
| N1 | N | C9 | C8 | 0.5° | 0.0° |
| N | N1 | C7 | C8 | 0.4° | 0.2° |
| N1 | N | C4 | H4 | 167.0° | 163.0° |
| N | N1 | C7 | H7 | 179.6° | 180.0° |
| C9 | C8 | C7 | N1 | 0.1° | 0.2° |
| C9 | C8 | C7 | C11 | 178.8° | 180.0° |
| C9 | C8 | C11 | N3 | 1.2° | 0.0° |
| C9 | C8 | C11 | N4 | 178.9° | 180.0° |
| C9 | C8 | C7 | H7 | 179.9° | 180.0° |
| C10 | N3 | C11 | C8 | 0.9° | 0.0° |
| C10 | N3 | C11 | N4 | 178.7° | 180.0° |
| N1 | C7 | C8 | H7 | 180.0° | 179.8° |
| N1 | C7 | C8 | C11 | 179.0° | 179.8° |
| C7 | C8 | C11 | N3 | 180.0° | 180.0° |
| C7 | C8 | C11 | N4 | 2.3° | 0.0° |
| C8 | C11 | N3 | N4 | 177.8° | 179.9° |
| C8 | C11 | N4 | C12 | 34.7° | 180.0° |
| C11 | C8 | C7 | H7 | 1.0° | 0.0° |
| C8 | C11 | N4 | H17 | 87.8° | 0.0° |
| N3 | C11 | N4 | C12 | 147.5° | 0.1° |
| N3 | C11 | N4 | H17 | 89.9° | 179.9° |
| C11 | N4 | C12 | C13 | 103.8° | 87.8° |
| C11 | N4 | C12 | H17 | 122.5° | 180.0° |
| C11 | N4 | C12 | C16 | 140.4° | 155.0° |
| C11 | N4 | C12 | H8 | 19.1° | 33.6° |
| C12 | C13 | C14 | H20 | 119.1° | 118.7° |
| C12 | C13 | C14 | H21 | 119.1° | 118.7° |
| C13 | C12 | N4 | C16 | 115.8° | 117.2° |
| C13 | C12 | N4 | H8 | 122.8° | 121.4° |
| C13 | C12 | C16 | H8 | 116.5° | 119.2° |
| C12 | C13 | C14 | C15 | 41.0° | 37.9° |
| C13 | C12 | C16 | C15 | 18.6° | 0.1° |
| C13 | C12 | C16 | H11 | 138.0° | 119.2° |
| C13 | C12 | C16 | H12 | 100.7° | 119.3° |
| C13 | C12 | N4 | H17 | 133.7° | 92.2° |
| C12 | C13 | C14 | H18 | 160.0° | 80.4° |
| C12 | C13 | C14 | H19 | 78.0° | 156.3° |
| C12 | C13 | H20 | H21 | 122.6° | 122.6° |
| C14 | C13 | C12 | N4 | 157.2° | 142.9° |
| C14 | C13 | C12 | C16 | 37.0° | 23.6° |
| C13 | C14 | C15 | H18 | 119.0° | 118.3° |
| C13 | C14 | C15 | H19 | 119.0° | 118.5° |
| C13 | C14 | C15 | C16 | 29.3° | 38.0° |
| C14 | C13 | C12 | H8 | 79.5° | 95.7° |
| C13 | C14 | C15 | H9 | 90.4° | 156.6° |
| C13 | C14 | C15 | H10 | 148.9° | 80.8° |
| C13 | C14 | H18 | H19 | 122.9° | 123.5° |
| C14 | C13 | H20 | H21 | 122.6° | 122.6° |
| N4 | C12 | C16 | H8 | 121.9° | 121.4° |
| N4 | C12 | C16 | C15 | 140.2° | 119.3° |
| N4 | C12 | C16 | H11 | 100.5° | 121.4° |
| N4 | C12 | C16 | H12 | 20.8° | 0.1° |
| N4 | C12 | C13 | H20 | 38.1° | 24.2° |
| N4 | C12 | C13 | H21 | 83.7° | 98.4° |
| C12 | C16 | C15 | C14 | 6.3° | 23.7° |
| C12 | C16 | C15 | H11 | 119.3° | 119.3° |
| C12 | C16 | C15 | H12 | 119.3° | 119.2° |
| C12 | C16 | C15 | H9 | 113.4° | 142.4° |
| C12 | C16 | C15 | H10 | 126.0° | 95.2° |
| C12 | C16 | H11 | H12 | 122.0° | 121.3° |
| C16 | C12 | N4 | H17 | 17.9° | 25.0° |
| C16 | C12 | C13 | H20 | 82.2° | 95.1° |
| C16 | C12 | C13 | H21 | 156.0° | 142.3° |
| C14 | C15 | C16 | H9 | 119.7° | 118.7° |
| C14 | C15 | C16 | H10 | 119.7° | 118.8° |
| C14 | C15 | H9 | H10 | 120.9° | 122.7° |
| C14 | C15 | C16 | H11 | 113.0° | 95.6° |
| C14 | C15 | C16 | H12 | 125.6° | 142.8° |
| C15 | C14 | H18 | H19 | 122.9° | 123.2° |
| C15 | C14 | C13 | H20 | 78.1° | 80.8° |
| C15 | C14 | C13 | H21 | 160.1° | 156.7° |
| C15 | C16 | C12 | H8 | 97.9° | 119.3° |
| C16 | C15 | H9 | H10 | 120.9° | 122.5° |
| C15 | C16 | H11 | H12 | 122.0° | 121.5° |
| C16 | C15 | C14 | H18 | 148.3° | 80.3° |
| C16 | C15 | C14 | H19 | 89.7° | 156.5° |
| H1 | C2 | C3 | H3 | 137.3° | 67.3° |
| H2 | C2 | C3 | H3 | 102.6° | 172.7° |
| H3 | C3 | C6 | H6 | 160.5° | 146.3° |
| H4 | C4 | C5 | H5 | 101.1° | 146.4° |
| H5 | C5 | C6 | H6 | 36.1° | 0.0° |
| H5 | C5 | O7 | H22 | 58.8° | 57.4° |
| H6 | C6 | O6 | H23 | 57.1° | 57.4° |
| H8 | C12 | C16 | H11 | 21.4° | 0.0° |
| H8 | C12 | C16 | H12 | 142.7° | 121.5° |
| H8 | C12 | N4 | H17 | 103.5° | 146.4° |
| H8 | C12 | C13 | H20 | 161.4° | 145.7° |
| H8 | C12 | C13 | H21 | 39.6° | 23.1° |
| H9 | C15 | C16 | H11 | 127.3° | 23.1° |
| H9 | C15 | C16 | H12 | 5.9° | 98.4° |
| H9 | C15 | C14 | H18 | 28.6° | 38.3° |
| H9 | C15 | C14 | H19 | 150.6° | 84.9° |
| H10 | C15 | C16 | H11 | 6.7° | 145.6° |
| H10 | C15 | C16 | H12 | 114.7° | 24.0° |
| H10 | C15 | C14 | H18 | 92.1° | 160.9° |
| H10 | C15 | C14 | H19 | 30.0° | 37.7° |
| H18 | C14 | C13 | H20 | 40.9° | 160.9° |
| H18 | C14 | C13 | H21 | 80.9° | 38.3° |
| H19 | C14 | C13 | H20 | 162.9° | 37.6° |
| H19 | C14 | C13 | H21 | 41.1° | 85.0° |
| H24 | C | O | H26 | 59.8° | 60.0° |
| H25 | C | O | H26 | 59.9° | 60.0° |
