J1F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| N9 | C16 | sing | 1.37Å | 1.38Å | |
| N8 | C16 | doub | 1.32Å | 1.35Å | |
| N8 | C22 | sing | 1.33Å | 1.40Å | |
| C16 | N10 | sing | 1.36Å | 1.39Å | |
| N12 | C22 | sing | 1.38Å | 1.36Å | |
| N12 | C19 | sing | 1.47Å | 1.50Å | |
| C22 | C23 | doub | 1.41Å | 1.39Å | |
| N10 | C17 | sing | 1.35Å | 1.43Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C17 | sing | 1.42Å | 1.44Å | |
| C23 | N11 | sing | 1.34Å | 1.39Å | |
| O01 | C11 | doub | 1.21Å | 1.25Å | |
| C17 | O5 | doub | 1.22Å | 1.21Å | |
| N11 | C18 | doub | 1.30Å | 1.29Å | |
| O4 | C15 | doub | 1.22Å | 1.23Å | |
| C18 | C15 | sing | 1.46Å | 1.52Å | |
| C15 | N7 | sing | 1.35Å | 1.37Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | N02 | sing | 1.35Å | 1.40Å | |
| C12 | N6 | sing | 1.46Å | 1.47Å | |
| O2 | C2 | sing | 1.43Å | 1.39Å | |
| N7 | C14 | sing | 1.46Å | 1.44Å | |
| OP1 | P01 | doub | 1.48Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| C10 | N02 | sing | 1.46Å | 1.43Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| C1 | O1 | sing | 1.44Å | 1.41Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| N6 | C13 | sing | 1.35Å | 1.39Å | |
| N6 | C01 | sing | 1.47Å | 1.47Å | |
| C13 | O6 | doub | 1.21Å | 1.23Å | |
| P01 | C01 | sing | 1.82Å | 1.94Å | |
| P01 | OP2 | sing | 1.61Å | 1.51Å | |
| P01 | OP3 | sing | 1.61Å | 1.52Å | |
| O3 | C3 | sing | 1.43Å | 1.39Å | |
| C3 | C4 | sing | 1.55Å | 1.56Å | |
| O1 | C4 | sing | 1.44Å | 1.40Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.36Å | 1.41Å | Aromatic |
| N1 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | N2 | doub | 1.30Å | 1.34Å | Aromatic |
| C9 | N5 | doub | 1.33Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.41Å | Aromatic |
| C6 | C7 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | N4 | doub | 1.32Å | 1.37Å | Aromatic |
| C7 | N4 | sing | 1.33Å | 1.37Å | Aromatic |
| C7 | N3 | sing | 1.38Å | 1.36Å | |
| C01 | H23 | sing | 1.09Å | 1.10Å | |
| C01 | H05 | sing | 1.09Å | 1.10Å | |
| C1 | H06 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H07 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H04 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H02 | sing | 1.08Å | 1.08Å | |
| C8 | H03 | sing | 1.08Å | 1.08Å | |
| N02 | H08 | sing | 0.97Å | 1.00Å | |
| N10 | H01 | sing | 0.97Å | 1.00Å | |
| N12 | H19 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N7 | H15 | sing | 0.97Å | 1.00Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å | |
| N9 | H25 | sing | 0.97Å | 1.00Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HP3 | sing | 0.97Å | 0.95Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | N12 | 104.8° | 109.7° |
| C20 | C19 | C18 | 107.6° | 109.5° |
| C20 | C19 | C21 | 112.7° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| C19 | C20 | H31 | 109.4° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| N9 | C16 | N8 | 118.1° | 119.0° |
| N9 | C16 | N10 | 116.6° | 119.0° |
| C16 | N9 | H16 | 120.0° | 120.0° |
| C16 | N9 | H25 | 120.0° | 120.0° |
| C16 | N8 | C22 | 114.7° | 121.0° |
| N8 | C16 | N10 | 125.3° | 122.0° |
| N8 | C22 | N12 | 117.8° | 121.6° |
| N8 | C22 | C23 | 123.0° | 120.0° |
| C16 | N10 | C17 | 121.9° | 120.6° |
| C16 | N10 | H01 | 119.0° | 119.7° |
| C22 | N12 | C19 | 122.2° | 117.3° |
| N12 | C22 | C23 | 119.2° | 118.4° |
| C22 | N12 | H19 | 106.2° | 121.4° |
| N12 | C19 | C18 | 109.7° | 109.0° |
| N12 | C19 | C21 | 108.7° | 109.6° |
| C19 | N12 | H19 | 106.2° | 121.3° |
| C22 | C23 | C17 | 122.2° | 118.3° |
| C22 | C23 | N11 | 123.3° | 120.3° |
| N10 | C17 | C23 | 112.8° | 118.2° |
| N10 | C17 | O5 | 115.9° | 120.9° |
| C17 | N10 | H01 | 119.0° | 119.7° |
| C18 | C19 | C21 | 113.0° | 109.5° |
| C19 | C18 | N11 | 124.1° | 121.3° |
| C19 | C18 | C15 | 119.0° | 119.3° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H30 | 109.5° | 109.5° |
| C19 | C21 | H04 | 109.5° | 109.4° |
| C17 | C23 | N11 | 114.5° | 121.4° |
| C23 | C17 | O5 | 131.3° | 120.9° |
| C23 | N11 | C18 | 117.9° | 121.8° |
| O01 | C11 | C12 | 123.0° | 119.9° |
| O01 | C11 | N02 | 119.2° | 120.1° |
| N11 | C18 | C15 | 113.1° | 119.3° |
| O4 | C15 | C18 | 122.8° | 120.0° |
| O4 | C15 | N7 | 123.4° | 120.0° |
| C18 | C15 | N7 | 113.9° | 120.0° |
| C15 | N7 | C14 | 120.9° | 120.0° |
| C15 | N7 | H15 | 119.5° | 119.9° |
| C12 | C11 | N02 | 117.8° | 120.0° |
| C11 | C12 | N6 | 114.6° | 109.5° |
| C11 | C12 | H27 | 108.2° | 109.5° |
| C11 | C12 | H18 | 108.2° | 109.5° |
| C11 | N02 | C10 | 122.8° | 120.0° |
| C11 | N02 | H08 | 118.6° | 120.0° |
| C12 | N6 | C13 | 122.6° | 120.0° |
| C12 | N6 | C01 | 115.5° | 120.0° |
| N6 | C12 | H27 | 108.2° | 109.5° |
| N6 | C12 | H18 | 108.2° | 109.5° |
| O2 | C2 | C1 | 112.4° | 110.5° |
| O2 | C2 | C3 | 109.6° | 110.5° |
| O2 | C2 | H07 | 111.8° | 110.5° |
| C2 | O2 | H10 | 109.5° | 114.0° |
| N7 | C14 | C13 | 118.6° | 109.5° |
| N7 | C14 | H20 | 107.1° | 109.5° |
| N7 | C14 | H28 | 107.1° | 109.5° |
| C14 | N7 | H15 | 119.5° | 120.1° |
| OP1 | P01 | C01 | 103.7° | 109.5° |
| OP1 | P01 | OP2 | 115.9° | 109.5° |
| OP1 | P01 | OP3 | 114.6° | 109.5° |
| C14 | C13 | N6 | 119.3° | 120.0° |
| C14 | C13 | O6 | 115.9° | 120.0° |
| C13 | C14 | H20 | 107.1° | 109.5° |
| C13 | C14 | H28 | 107.2° | 109.4° |
| N02 | C10 | C1 | 111.0° | 109.5° |
| N02 | C10 | H26 | 109.1° | 109.5° |
| N02 | C10 | H17 | 109.1° | 109.5° |
| C10 | N02 | H08 | 118.6° | 120.0° |
| C10 | C1 | C2 | 110.6° | 110.4° |
| C10 | C1 | O1 | 109.6° | 110.4° |
| C10 | C1 | H06 | 109.2° | 110.4° |
| C1 | C10 | H26 | 109.1° | 109.4° |
| C1 | C10 | H17 | 109.1° | 109.4° |
| C2 | C1 | O1 | 107.0° | 104.8° |
| C1 | C2 | C3 | 103.6° | 104.1° |
| C2 | C1 | H06 | 109.2° | 110.4° |
| C1 | C2 | H07 | 109.6° | 110.5° |
| C1 | O1 | C4 | 109.9° | 105.3° |
| O1 | C1 | H06 | 111.2° | 110.4° |
| C2 | C3 | O3 | 111.0° | 110.5° |
| C2 | C3 | C4 | 102.6° | 104.0° |
| C3 | C2 | H07 | 109.6° | 110.5° |
| C2 | C3 | H11 | 110.3° | 110.6° |
| C13 | N6 | C01 | 121.9° | 120.0° |
| N6 | C13 | O6 | 124.8° | 119.9° |
| N6 | C01 | P01 | 112.5° | 109.5° |
| N6 | C01 | H23 | 108.7° | 109.5° |
| N6 | C01 | H05 | 108.7° | 109.4° |
| C01 | P01 | OP2 | 103.0° | 109.5° |
| C01 | P01 | OP3 | 98.1° | 109.5° |
| P01 | C01 | H23 | 108.7° | 109.5° |
| P01 | C01 | H05 | 108.7° | 109.5° |
| OP2 | P01 | OP3 | 117.7° | 109.5° |
| P01 | OP2 | HP2 | 109.5° | 113.9° |
| P01 | OP3 | HP3 | 109.5° | 114.1° |
| O3 | C3 | C4 | 109.8° | 110.5° |
| O3 | C3 | H11 | 112.6° | 110.5° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C3 | C4 | O1 | 109.2° | 104.8° |
| C3 | C4 | N1 | 115.4° | 110.4° |
| C4 | C3 | H11 | 110.1° | 110.5° |
| C3 | C4 | H14 | 108.9° | 110.3° |
| O1 | C4 | N1 | 101.7° | 110.4° |
| O1 | C4 | H14 | 111.2° | 110.5° |
| C4 | N1 | C5 | 130.0° | 126.3° |
| C4 | N1 | C9 | 122.2° | 126.3° |
| N1 | C4 | H14 | 110.2° | 110.3° |
| C5 | N1 | C9 | 107.7° | 107.5° |
| N1 | C5 | N2 | 111.5° | 110.0° |
| N1 | C5 | H02 | 124.2° | 125.0° |
| N1 | C9 | N5 | 128.5° | 134.9° |
| N1 | C9 | C6 | 105.3° | 106.0° |
| C5 | N2 | C6 | 104.6° | 109.4° |
| N2 | C5 | H02 | 124.3° | 125.0° |
| N5 | C9 | C6 | 126.2° | 119.1° |
| C9 | N5 | C8 | 111.2° | 120.6° |
| C9 | C6 | N2 | 110.8° | 107.2° |
| C9 | C6 | C7 | 116.3° | 118.1° |
| N5 | C8 | N4 | 129.2° | 122.5° |
| N5 | C8 | H03 | 115.4° | 118.7° |
| N2 | C6 | C7 | 132.9° | 134.7° |
| C6 | C7 | N4 | 120.3° | 118.5° |
| C6 | C7 | N3 | 119.6° | 120.8° |
| C8 | N4 | C7 | 116.7° | 121.1° |
| N4 | C8 | H03 | 115.4° | 118.8° |
| N4 | C7 | N3 | 120.2° | 120.7° |
| C7 | N3 | H12 | 109.5° | 120.0° |
| C7 | N3 | H24 | 109.5° | 120.0° |
| H23 | C01 | H05 | 109.5° | 109.4° |
| H26 | C10 | H17 | 109.5° | 109.4° |
| H27 | C12 | H18 | 109.5° | 109.4° |
| H20 | C14 | H28 | 109.5° | 109.5° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H29 | C20 | H21 | 109.4° | 109.5° |
| H31 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H30 | 109.5° | 109.5° |
| H22 | C21 | H04 | 109.4° | 109.5° |
| H30 | C21 | H04 | 109.5° | 109.4° |
| H12 | N3 | H24 | 109.5° | 120.0° |
| H16 | N9 | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | N12 | C22 | 105.2° | 159.4° |
| C20 | C19 | N12 | C18 | 115.2° | 119.9° |
| C20 | C19 | N12 | C21 | 120.7° | 120.3° |
| C20 | C19 | C18 | C21 | 125.1° | 120.2° |
| C20 | C19 | C18 | N11 | 91.7° | 147.4° |
| C20 | C19 | C18 | C15 | 64.8° | 32.6° |
| C19 | C20 | H29 | H31 | 120.0° | 120.0° |
| C19 | C20 | H29 | H21 | 120.0° | 120.0° |
| C19 | C20 | H31 | H21 | 120.0° | 120.0° |
| C20 | C19 | C21 | H22 | 180.0° | 60.2° |
| C20 | C19 | C21 | H30 | 60.0° | 59.9° |
| C20 | C19 | C21 | H04 | 60.0° | 179.8° |
| C20 | C19 | N12 | H19 | 16.5° | 20.6° |
| N9 | C16 | N8 | N10 | 179.6° | 179.8° |
| N9 | C16 | N8 | C22 | 179.9° | 180.0° |
| N9 | C16 | N10 | C17 | 179.7° | 179.8° |
| N9 | C16 | N10 | H01 | 0.2° | 0.2° |
| C16 | N9 | H16 | H25 | 180.0° | 179.9° |
| C16 | N8 | C22 | N12 | 179.5° | 179.2° |
| C16 | N8 | C22 | C23 | 0.5° | 0.5° |
| N8 | C16 | N10 | C17 | 0.1° | 0.4° |
| N8 | C16 | N10 | H01 | 179.9° | 179.6° |
| N8 | C16 | N9 | H16 | 0.0° | 179.7° |
| N8 | C16 | N9 | H25 | 180.0° | 0.2° |
| C22 | N8 | C16 | N10 | 0.5° | 0.2° |
| N8 | C22 | N12 | C23 | 179.9° | 179.7° |
| N8 | C22 | N12 | C19 | 179.3° | 151.4° |
| N8 | C22 | C23 | C17 | 0.1° | 1.0° |
| N8 | C22 | C23 | N11 | 179.9° | 178.7° |
| N8 | C22 | N12 | H19 | 57.5° | 28.6° |
| C16 | N10 | C17 | H01 | 180.0° | 180.0° |
| C16 | N10 | C17 | C23 | 0.3° | 0.1° |
| C16 | N10 | C17 | O5 | 179.6° | 179.8° |
| N10 | C16 | N9 | H16 | 179.6° | 0.1° |
| N10 | C16 | N9 | H25 | 0.4° | 180.0° |
| C22 | N12 | C19 | H19 | 121.8° | 180.0° |
| C22 | N12 | C19 | C18 | 10.0° | 39.5° |
| C22 | N12 | C19 | C21 | 134.0° | 80.3° |
| N12 | C22 | C23 | C17 | 179.9° | 178.8° |
| N12 | C22 | C23 | N11 | 0.0° | 1.6° |
| C19 | N12 | C22 | C23 | 0.8° | 28.9° |
| N12 | C19 | C18 | C21 | 121.5° | 119.9° |
| N12 | C19 | C18 | N11 | 21.7° | 27.5° |
| N12 | C19 | C18 | C15 | 178.2° | 152.5° |
| N12 | C19 | C20 | H29 | 180.0° | 70.3° |
| N12 | C19 | C20 | H31 | 60.0° | 49.6° |
| N12 | C19 | C20 | H21 | 60.0° | 169.6° |
| N12 | C19 | C21 | H22 | 64.3° | 179.5° |
| N12 | C19 | C21 | H30 | 175.7° | 60.5° |
| N12 | C19 | C21 | H04 | 55.7° | 59.4° |
| C22 | C23 | C17 | N10 | 0.3° | 0.8° |
| C22 | C23 | C17 | N11 | 179.8° | 179.6° |
| C22 | C23 | C17 | O5 | 179.5° | 179.2° |
| C22 | C23 | N11 | C18 | 10.7° | 11.8° |
| C23 | C22 | N12 | H19 | 122.6° | 151.1° |
| N10 | C17 | C23 | O5 | 179.2° | 180.0° |
| N10 | C17 | C23 | N11 | 179.5° | 178.8° |
| C19 | C18 | N11 | C23 | 22.5° | 2.9° |
| C19 | C18 | N11 | C15 | 157.7° | 180.0° |
| C19 | C18 | C15 | O4 | 9.4° | 5.2° |
| C19 | C18 | C15 | N7 | 170.4° | 174.8° |
| C18 | C19 | C20 | H29 | 63.3° | 49.2° |
| C18 | C19 | C20 | H31 | 56.7° | 169.2° |
| C18 | C19 | C20 | H21 | 176.7° | 70.9° |
| C18 | C19 | C21 | H22 | 57.8° | 60.0° |
| C18 | C19 | C21 | H30 | 62.2° | 180.0° |
| C18 | C19 | C21 | H04 | 177.7° | 60.1° |
| C18 | C19 | N12 | H19 | 131.7° | 140.5° |
| C21 | C19 | C18 | N11 | 143.2° | 92.4° |
| C21 | C19 | C18 | C15 | 60.3° | 87.6° |
| C21 | C19 | C20 | H29 | 62.0° | 169.3° |
| C21 | C19 | C20 | H31 | 178.0° | 70.7° |
| C21 | C19 | C20 | H21 | 58.0° | 49.3° |
| C19 | C21 | H22 | H30 | 120.0° | 120.0° |
| C19 | C21 | H22 | H04 | 120.0° | 120.0° |
| C19 | C21 | H30 | H04 | 120.0° | 119.9° |
| C21 | C19 | N12 | H19 | 104.2° | 99.7° |
| C17 | C23 | N11 | C18 | 169.1° | 167.8° |
| C23 | C17 | N10 | H01 | 179.7° | 179.9° |
| N11 | C23 | C17 | O5 | 0.3° | 1.2° |
| C23 | N11 | C18 | C15 | 179.8° | 177.1° |
| O01 | C11 | C12 | N02 | 179.4° | 179.9° |
| O01 | C11 | C12 | N6 | 172.3° | 5.2° |
| O01 | C11 | N02 | C10 | 1.2° | 0.0° |
| O01 | C11 | C12 | H27 | 51.6° | 125.2° |
| O01 | C11 | C12 | H18 | 67.0° | 114.8° |
| O01 | C11 | N02 | H08 | 178.8° | 180.0° |
| O5 | C17 | N10 | H01 | 0.4° | 0.1° |
| N11 | C18 | C15 | O4 | 149.5° | 174.8° |
| N11 | C18 | C15 | N7 | 30.6° | 5.1° |
| O4 | C15 | C18 | N7 | 179.8° | 179.9° |
| O4 | C15 | N7 | C14 | 2.4° | 0.0° |
| O4 | C15 | N7 | H15 | 177.6° | 179.9° |
| C18 | C15 | N7 | C14 | 177.8° | 180.0° |
| C18 | C15 | N7 | H15 | 2.2° | 0.0° |
| C15 | N7 | C14 | H15 | 180.0° | 180.0° |
| C15 | N7 | C14 | C13 | 68.4° | 180.0° |
| C15 | N7 | C14 | H20 | 170.4° | 60.0° |
| C15 | N7 | C14 | H28 | 53.0° | 60.0° |
| C11 | C12 | N6 | H27 | 120.8° | 120.0° |
| C11 | C12 | N6 | H18 | 120.7° | 120.0° |
| C12 | C11 | N02 | C10 | 178.3° | 180.0° |
| C11 | C12 | N6 | C13 | 79.4° | 94.2° |
| C11 | C12 | N6 | C01 | 100.2° | 85.8° |
| C11 | C12 | H27 | H18 | 117.7° | 120.0° |
| C12 | C11 | N02 | H08 | 1.7° | 0.0° |
| N02 | C11 | C12 | N6 | 7.1° | 174.9° |
| C11 | N02 | C10 | H08 | 180.0° | 180.0° |
| C11 | N02 | C10 | C1 | 82.2° | 180.0° |
| C11 | N02 | C10 | H26 | 157.5° | 60.1° |
| C11 | N02 | C10 | H17 | 38.0° | 60.0° |
| N02 | C11 | C12 | H27 | 127.9° | 54.8° |
| N02 | C11 | C12 | H18 | 113.6° | 65.1° |
| C12 | N6 | C13 | C14 | 1.7° | 179.9° |
| C12 | N6 | C13 | C01 | 179.6° | 180.0° |
| C12 | N6 | C13 | O6 | 179.3° | 0.0° |
| C12 | N6 | C01 | P01 | 82.9° | 83.9° |
| C12 | N6 | C01 | H23 | 156.7° | 156.0° |
| C12 | N6 | C01 | H05 | 37.5° | 36.1° |
| N6 | C12 | H27 | H18 | 117.7° | 120.0° |
| O2 | C2 | C1 | C10 | 94.6° | 98.5° |
| O2 | C2 | C1 | C3 | 118.2° | 118.7° |
| O2 | C2 | C1 | H07 | 124.9° | 122.7° |
| O2 | C2 | C1 | O1 | 146.1° | 142.7° |
| O2 | C2 | C3 | H07 | 123.0° | 122.7° |
| O2 | C2 | C3 | O3 | 21.5° | 0.0° |
| O2 | C2 | C3 | C4 | 138.8° | 118.7° |
| O2 | C2 | C1 | H06 | 25.6° | 23.8° |
| O2 | C2 | C3 | H11 | 104.0° | 122.7° |
| N7 | C14 | C13 | H20 | 121.3° | 120.1° |
| N7 | C14 | C13 | H28 | 121.3° | 120.0° |
| N7 | C14 | C13 | N6 | 126.0° | 180.0° |
| N7 | C14 | C13 | O6 | 56.1° | 0.1° |
| N7 | C14 | H20 | H28 | 115.9° | 120.0° |
| OP1 | P01 | C01 | N6 | 56.4° | 56.1° |
| OP1 | P01 | C01 | OP2 | 121.2° | 120.0° |
| OP1 | P01 | C01 | OP3 | 117.9° | 120.0° |
| OP1 | P01 | OP2 | OP3 | 141.0° | 120.0° |
| OP1 | P01 | C01 | H23 | 176.8° | 176.2° |
| OP1 | P01 | C01 | H05 | 64.1° | 63.9° |
| OP1 | P01 | OP2 | HP2 | 0.0° | 180.0° |
| OP1 | P01 | OP3 | HP3 | 0.0° | 60.1° |
| C14 | C13 | N6 | O6 | 177.7° | 179.9° |
| C14 | C13 | N6 | C01 | 178.0° | 0.1° |
| C13 | C14 | H20 | H28 | 115.9° | 120.0° |
| C13 | C14 | N7 | H15 | 111.7° | 0.1° |
| N02 | C10 | C1 | H26 | 120.2° | 120.0° |
| N02 | C10 | C1 | H17 | 120.2° | 120.0° |
| N02 | C10 | C1 | C2 | 177.7° | 175.0° |
| N02 | C10 | C1 | O1 | 59.9° | 69.6° |
| N02 | C10 | C1 | H06 | 62.1° | 52.7° |
| N02 | C10 | H26 | H17 | 119.3° | 120.1° |
| C10 | C1 | C2 | O1 | 119.3° | 118.8° |
| C10 | C1 | C2 | H06 | 120.2° | 122.3° |
| C10 | C1 | O1 | H06 | 120.8° | 122.3° |
| C10 | C1 | C2 | C3 | 147.2° | 142.8° |
| C10 | C1 | O1 | C4 | 146.3° | 159.4° |
| C1 | C10 | H26 | H17 | 119.3° | 119.9° |
| C10 | C1 | C2 | H07 | 30.4° | 24.2° |
| C1 | C10 | N02 | H08 | 97.8° | 0.0° |
| C2 | C1 | O1 | H06 | 119.2° | 118.8° |
| C1 | C2 | C3 | H07 | 116.9° | 118.7° |
| C1 | C2 | C3 | O3 | 98.6° | 118.6° |
| C1 | C2 | C3 | C4 | 18.7° | 0.0° |
| C2 | C1 | O1 | C4 | 26.3° | 40.5° |
| C2 | C1 | C10 | H26 | 57.5° | 55.0° |
| C2 | C1 | C10 | H17 | 62.1° | 65.0° |
| C1 | C2 | C3 | H11 | 135.9° | 118.7° |
| C1 | C2 | O2 | H10 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 27.9° | 24.0° |
| C1 | O1 | C4 | C3 | 13.7° | 40.5° |
| C1 | O1 | C4 | N1 | 136.2° | 159.4° |
| O1 | C1 | C10 | H26 | 60.3° | 170.3° |
| O1 | C1 | C10 | H17 | 179.9° | 50.4° |
| O1 | C1 | C2 | H07 | 89.0° | 94.7° |
| C1 | O1 | C4 | H14 | 106.5° | 78.3° |
| C2 | C3 | O3 | C4 | 112.8° | 114.6° |
| C2 | C3 | O3 | H11 | 124.2° | 122.7° |
| C2 | C3 | C4 | H11 | 117.4° | 118.7° |
| C2 | C3 | C4 | O1 | 4.3° | 24.0° |
| C2 | C3 | C4 | N1 | 109.5° | 142.8° |
| C3 | C2 | C1 | H06 | 92.6° | 94.9° |
| C2 | C3 | C4 | H14 | 125.9° | 95.0° |
| C3 | C2 | O2 | H10 | 65.4° | 65.3° |
| C2 | C3 | O3 | H13 | 180.0° | 61.5° |
| C13 | N6 | C01 | P01 | 97.4° | 96.1° |
| C13 | N6 | C01 | H23 | 23.0° | 24.0° |
| C13 | N6 | C01 | H05 | 142.1° | 143.9° |
| C13 | N6 | C12 | H27 | 159.8° | 145.7° |
| C13 | N6 | C12 | H18 | 41.3° | 25.8° |
| N6 | C13 | C14 | H20 | 112.7° | 59.9° |
| N6 | C13 | C14 | H28 | 4.7° | 60.0° |
| C01 | N6 | C13 | O6 | 0.3° | 180.0° |
| N6 | C01 | P01 | H23 | 120.4° | 120.0° |
| N6 | C01 | P01 | H05 | 120.5° | 120.0° |
| N6 | C01 | P01 | OP2 | 64.8° | 63.9° |
| N6 | C01 | P01 | OP3 | 174.2° | 176.1° |
| N6 | C01 | H23 | H05 | 118.6° | 120.0° |
| C01 | N6 | C12 | H27 | 20.5° | 34.2° |
| C01 | N6 | C12 | H18 | 139.0° | 154.2° |
| O6 | C13 | C14 | H20 | 65.2° | 120.0° |
| O6 | C13 | C14 | H28 | 177.4° | 120.0° |
| C01 | P01 | OP2 | OP3 | 106.5° | 120.0° |
| P01 | C01 | H23 | H05 | 118.6° | 120.0° |
| C01 | P01 | OP2 | HP2 | 112.5° | 60.0° |
| C01 | P01 | OP3 | HP3 | 109.1° | 180.0° |
| OP2 | P01 | C01 | H23 | 55.6° | 56.2° |
| OP2 | P01 | C01 | H05 | 174.7° | 176.1° |
| OP2 | P01 | OP3 | HP3 | 141.5° | 60.0° |
| OP3 | P01 | C01 | H23 | 65.3° | 63.9° |
| OP3 | P01 | C01 | H05 | 53.8° | 56.1° |
| OP3 | P01 | OP2 | HP2 | 141.0° | 60.0° |
| O3 | C3 | C4 | H11 | 124.5° | 122.7° |
| O3 | C3 | C4 | O1 | 113.8° | 142.6° |
| O3 | C3 | C4 | N1 | 132.4° | 98.6° |
| O3 | C3 | C2 | H07 | 144.5° | 122.7° |
| O3 | C3 | C4 | H14 | 7.8° | 23.7° |
| C3 | C4 | O1 | N1 | 122.5° | 118.8° |
| C3 | C4 | O1 | H14 | 120.2° | 118.9° |
| C3 | C4 | N1 | H14 | 123.9° | 122.2° |
| C3 | C4 | N1 | C5 | 43.0° | 95.0° |
| C3 | C4 | N1 | C9 | 141.5° | 85.0° |
| C4 | C3 | C2 | H07 | 98.2° | 118.7° |
| C4 | C3 | O3 | H13 | 67.2° | 176.1° |
| O1 | C4 | N1 | H14 | 118.0° | 122.4° |
| O1 | C4 | N1 | C5 | 75.1° | 20.4° |
| O1 | C4 | N1 | C9 | 100.4° | 159.6° |
| C4 | O1 | C1 | H06 | 92.9° | 78.3° |
| O1 | C4 | C3 | H11 | 121.7° | 94.7° |
| C4 | N1 | C5 | C9 | 176.1° | 180.0° |
| C4 | N1 | C5 | N2 | 177.7° | 180.0° |
| C4 | N1 | C9 | N5 | 2.8° | 0.3° |
| C4 | N1 | C9 | C6 | 177.8° | 179.7° |
| N1 | C4 | C3 | H11 | 7.9° | 24.1° |
| C4 | N1 | C5 | H02 | 2.3° | 0.2° |
| N1 | C5 | N2 | H02 | 180.0° | 179.8° |
| C5 | N1 | C9 | N5 | 179.3° | 179.7° |
| C5 | N1 | C9 | C6 | 1.4° | 0.2° |
| N1 | C5 | N2 | C6 | 1.2° | 0.3° |
| C5 | N1 | C4 | H14 | 166.8° | 142.8° |
| C9 | N1 | C5 | N2 | 1.7° | 0.0° |
| N1 | C9 | N5 | C6 | 179.2° | 179.9° |
| N1 | C9 | N5 | C8 | 179.0° | 180.0° |
| N1 | C9 | C6 | N2 | 0.7° | 0.4° |
| N1 | C9 | C6 | C7 | 179.5° | 180.0° |
| C9 | N1 | C4 | H14 | 17.6° | 37.2° |
| C9 | N1 | C5 | H02 | 178.3° | 179.8° |
| C5 | N2 | C6 | C9 | 0.3° | 0.4° |
| C5 | N2 | C6 | C7 | 179.5° | 179.9° |
| N5 | C9 | C6 | N2 | 179.9° | 179.6° |
| N5 | C9 | C6 | C7 | 0.1° | 0.0° |
| C9 | N5 | C8 | N4 | 0.3° | 0.1° |
| C9 | N5 | C8 | H03 | 179.7° | 180.0° |
| C6 | C9 | N5 | C8 | 0.2° | 0.0° |
| C9 | C6 | N2 | C7 | 179.7° | 179.5° |
| C9 | C6 | C7 | N4 | 0.4° | 0.0° |
| C9 | C6 | C7 | N3 | 179.9° | 180.0° |
| N5 | C8 | N4 | H03 | 180.0° | 179.9° |
| N5 | C8 | N4 | C7 | 0.0° | 0.1° |
| N2 | C6 | C7 | N4 | 179.8° | 179.4° |
| N2 | C6 | C7 | N3 | 0.4° | 0.6° |
| C6 | N2 | C5 | H02 | 178.8° | 180.0° |
| C6 | C7 | N4 | C8 | 0.4° | 0.1° |
| C6 | C7 | N4 | N3 | 179.5° | 180.0° |
| C6 | C7 | N3 | H12 | 179.5° | 0.0° |
| C6 | C7 | N3 | H24 | 60.5° | 180.0° |
| C8 | N4 | C7 | N3 | 179.9° | 180.0° |
| C7 | N4 | C8 | H03 | 180.0° | 180.0° |
| N4 | C7 | N3 | H12 | 0.0° | 180.0° |
| N4 | C7 | N3 | H24 | 120.0° | 0.0° |
| C7 | N3 | H12 | H24 | 120.0° | 180.0° |
| H06 | C1 | C10 | H26 | 177.7° | 67.3° |
| H06 | C1 | C10 | H17 | 58.1° | 172.8° |
| H06 | C1 | C2 | H07 | 150.6° | 146.5° |
| H26 | C10 | N02 | H08 | 22.5° | 120.0° |
| H17 | C10 | N02 | H08 | 142.0° | 120.0° |
| H20 | C14 | N7 | H15 | 9.6° | 119.9° |
| H28 | C14 | N7 | H15 | 127.0° | 120.0° |
| H07 | C2 | C3 | H11 | 19.0° | 0.0° |
| H07 | C2 | O2 | H10 | 56.2° | 57.3° |
| H29 | C20 | H31 | H21 | 120.0° | 120.0° |
| H22 | C21 | H30 | H04 | 120.0° | 120.0° |
| H11 | C3 | C4 | H14 | 116.7° | 146.3° |
| H11 | C3 | O3 | H13 | 55.8° | 61.2° |
