J1D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C16 | sing | 1.37Å | 1.39Å | |
| C16 | N10 | sing | 1.36Å | 1.34Å | |
| C16 | N8 | doub | 1.32Å | 1.32Å | |
| N10 | C17 | sing | 1.35Å | 1.40Å | |
| N8 | C22 | sing | 1.33Å | 1.41Å | |
| C17 | O5 | doub | 1.22Å | 1.21Å | |
| C17 | C23 | sing | 1.42Å | 1.44Å | |
| C22 | N12 | sing | 1.38Å | 1.35Å | |
| C22 | C23 | doub | 1.41Å | 1.39Å | |
| N12 | C19 | sing | 1.47Å | 1.49Å | |
| C23 | N11 | sing | 1.34Å | 1.37Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| N11 | C18 | doub | 1.30Å | 1.30Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C15 | sing | 1.46Å | 1.50Å | |
| O6 | C13 | doub | 1.21Å | 1.23Å | |
| C15 | N7 | sing | 1.35Å | 1.39Å | |
| C15 | O4 | doub | 1.22Å | 1.23Å | |
| N7 | C14 | sing | 1.47Å | 1.45Å | |
| N3 | C7 | sing | 1.38Å | 1.38Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | N6 | sing | 1.35Å | 1.38Å | |
| C7 | N4 | doub | 1.33Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| N4 | C8 | sing | 1.32Å | 1.37Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| N2 | C5 | doub | 1.30Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | S1 | sing | 1.81Å | 1.68Å | |
| C6 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| N6 | C12 | sing | 1.46Å | 1.46Å | |
| C8 | N5 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | N1 | sing | 1.36Å | 1.43Å | Aromatic |
| O7 | S1 | doub | 1.42Å | 1.41Å | |
| C10 | S1 | sing | 1.81Å | 1.77Å | |
| C10 | C1 | sing | 1.53Å | 1.53Å | |
| C9 | N5 | sing | 1.33Å | 1.38Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| S1 | O8 | doub | 1.42Å | 1.43Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.54Å | 1.54Å | |
| C2 | O2 | sing | 1.43Å | 1.38Å | |
| C2 | C3 | sing | 1.55Å | 1.59Å | |
| C1 | O1 | sing | 1.44Å | 1.47Å | |
| O1 | C4 | sing | 1.44Å | 1.44Å | |
| C4 | C3 | sing | 1.55Å | 1.57Å | |
| C3 | O3 | sing | 1.43Å | 1.38Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| N12 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | C16 | N10 | 112.1° | 119.0° |
| N9 | C16 | N8 | 121.9° | 119.0° |
| C16 | N9 | H21 | 120.0° | 120.0° |
| C16 | N9 | H22 | 120.0° | 120.0° |
| N10 | C16 | N8 | 125.9° | 122.0° |
| C16 | N10 | C17 | 123.5° | 120.5° |
| C16 | N10 | H23 | 118.3° | 119.8° |
| C16 | N8 | C22 | 114.4° | 121.0° |
| N10 | C17 | O5 | 117.0° | 120.9° |
| N10 | C17 | C23 | 112.6° | 118.3° |
| C17 | N10 | H23 | 118.2° | 119.7° |
| N8 | C22 | N12 | 116.7° | 121.6° |
| N8 | C22 | C23 | 122.8° | 119.9° |
| O5 | C17 | C23 | 130.3° | 120.9° |
| C17 | C23 | C22 | 120.7° | 118.3° |
| C17 | C23 | N11 | 116.1° | 121.5° |
| N12 | C22 | C23 | 120.4° | 118.5° |
| C22 | N12 | C19 | 121.5° | 117.3° |
| C22 | N12 | H31 | 106.4° | 121.4° |
| C22 | C23 | N11 | 123.3° | 120.2° |
| N12 | C19 | C21 | 105.6° | 109.7° |
| N12 | C19 | C18 | 110.3° | 108.9° |
| N12 | C19 | C20 | 106.8° | 109.6° |
| C19 | N12 | H31 | 106.4° | 121.3° |
| C23 | N11 | C18 | 117.5° | 121.9° |
| C21 | C19 | C18 | 108.7° | 109.5° |
| C21 | C19 | C20 | 115.1° | 109.6° |
| C19 | C21 | H27 | 109.5° | 109.5° |
| C19 | C21 | H28 | 109.5° | 109.4° |
| C19 | C21 | H29 | 109.5° | 109.5° |
| N11 | C18 | C19 | 126.7° | 121.3° |
| N11 | C18 | C15 | 114.9° | 119.3° |
| C18 | C19 | C20 | 110.2° | 109.6° |
| C19 | C18 | C15 | 118.3° | 119.4° |
| C19 | C20 | H24 | 109.5° | 109.4° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| C19 | C20 | H26 | 109.5° | 109.5° |
| C18 | C15 | N7 | 112.8° | 120.0° |
| C18 | C15 | O4 | 123.5° | 120.0° |
| O6 | C13 | C14 | 123.4° | 120.0° |
| O6 | C13 | N6 | 121.7° | 120.0° |
| N7 | C15 | O4 | 123.8° | 120.0° |
| C15 | N7 | C14 | 124.0° | 120.0° |
| C15 | N7 | H20 | 118.0° | 119.9° |
| N7 | C14 | C13 | 109.2° | 109.5° |
| N7 | C14 | H18 | 109.5° | 109.4° |
| N7 | C14 | H19 | 109.6° | 109.5° |
| C14 | N7 | H20 | 118.0° | 120.1° |
| N3 | C7 | N4 | 121.3° | 120.7° |
| N3 | C7 | C6 | 119.2° | 120.7° |
| C7 | N3 | H8 | 109.5° | 120.0° |
| C7 | N3 | H9 | 109.5° | 120.0° |
| C14 | C13 | N6 | 114.9° | 120.0° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C13 | C14 | H19 | 109.5° | 109.5° |
| C13 | N6 | C12 | 118.7° | 120.0° |
| C13 | N6 | H15 | 120.6° | 120.0° |
| N4 | C7 | C6 | 119.5° | 118.5° |
| C7 | N4 | C8 | 118.4° | 121.2° |
| C7 | C6 | N2 | 131.7° | 134.7° |
| C7 | C6 | C9 | 116.5° | 118.1° |
| N4 | C8 | N5 | 127.4° | 122.4° |
| N4 | C8 | H10 | 116.3° | 118.8° |
| C6 | N2 | C5 | 104.6° | 109.4° |
| N2 | C6 | C9 | 111.8° | 107.1° |
| N2 | C5 | N1 | 112.0° | 110.0° |
| N2 | C5 | H7 | 124.0° | 124.9° |
| C12 | C11 | S1 | 113.1° | 109.5° |
| C11 | C12 | N6 | 107.7° | 109.5° |
| C12 | C11 | H13 | 108.6° | 109.4° |
| C12 | C11 | H14 | 108.6° | 109.4° |
| C11 | C12 | H16 | 109.9° | 109.4° |
| C11 | C12 | H17 | 109.9° | 109.5° |
| C11 | S1 | O7 | 107.4° | 108.6° |
| C11 | S1 | C10 | 104.6° | 101.9° |
| C11 | S1 | O8 | 109.8° | 108.6° |
| S1 | C11 | H13 | 108.5° | 109.5° |
| S1 | C11 | H14 | 108.6° | 109.5° |
| C6 | C9 | N5 | 125.8° | 119.1° |
| C6 | C9 | N1 | 105.1° | 106.0° |
| C12 | N6 | H15 | 120.6° | 120.0° |
| N6 | C12 | H16 | 109.9° | 109.5° |
| N6 | C12 | H17 | 109.9° | 109.5° |
| C8 | N5 | C9 | 112.4° | 120.6° |
| N5 | C8 | H10 | 116.3° | 118.7° |
| C5 | N1 | C9 | 106.4° | 107.4° |
| C5 | N1 | C4 | 131.5° | 126.3° |
| N1 | C5 | H7 | 124.0° | 125.0° |
| O7 | S1 | C10 | 106.1° | 108.5° |
| O7 | S1 | O8 | 124.1° | 119.3° |
| S1 | C10 | C1 | 112.4° | 109.5° |
| C10 | S1 | O8 | 103.1° | 108.6° |
| S1 | C10 | H11 | 108.7° | 109.5° |
| S1 | C10 | H12 | 108.8° | 109.5° |
| C10 | C1 | C2 | 112.2° | 110.0° |
| C10 | C1 | O1 | 114.5° | 109.9° |
| C10 | C1 | H1 | 108.1° | 109.9° |
| C1 | C10 | H11 | 108.8° | 109.5° |
| C1 | C10 | H12 | 108.7° | 109.5° |
| N5 | C9 | N1 | 129.1° | 134.9° |
| C9 | N1 | C4 | 122.0° | 126.2° |
| N1 | C4 | O1 | 105.5° | 110.6° |
| N1 | C4 | C3 | 111.5° | 110.6° |
| N1 | C4 | H6 | 111.6° | 110.7° |
| C1 | C2 | O2 | 109.1° | 110.5° |
| C1 | C2 | C3 | 101.3° | 104.2° |
| C2 | C1 | O1 | 104.9° | 107.3° |
| C2 | C1 | H1 | 108.0° | 109.9° |
| C1 | C2 | H2 | 110.5° | 110.5° |
| O2 | C2 | C3 | 112.3° | 110.5° |
| O2 | C2 | H2 | 113.0° | 110.5° |
| C2 | O2 | H3 | 109.5° | 114.0° |
| C2 | C3 | C4 | 100.4° | 102.1° |
| C2 | C3 | O3 | 116.8° | 110.9° |
| C3 | C2 | H2 | 110.0° | 110.6° |
| C2 | C3 | H4 | 108.9° | 110.9° |
| C1 | O1 | C4 | 111.3° | 107.0° |
| O1 | C1 | H1 | 108.9° | 109.9° |
| O1 | C4 | C3 | 105.6° | 103.5° |
| O1 | C4 | H6 | 112.1° | 110.7° |
| C4 | C3 | O3 | 109.0° | 110.9° |
| C4 | C3 | H4 | 109.2° | 111.0° |
| C3 | C4 | H6 | 110.2° | 110.6° |
| O3 | C3 | H4 | 111.9° | 110.8° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| H8 | N3 | H9 | 109.5° | 120.0° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.4° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H21 | N9 | H22 | 120.0° | 120.0° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H24 | C20 | H26 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.4° | 109.5° |
| H27 | C21 | H29 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | C16 | N10 | N8 | 178.5° | 180.0° |
| N9 | C16 | N10 | C17 | 178.9° | 179.6° |
| N9 | C16 | N8 | C22 | 179.7° | 179.7° |
| C16 | N9 | H21 | H22 | 180.0° | 179.9° |
| N9 | C16 | N10 | H23 | 1.1° | 0.5° |
| C16 | N10 | C17 | H23 | 180.0° | 180.0° |
| N10 | C16 | N8 | C22 | 1.3° | 0.3° |
| C16 | N10 | C17 | O5 | 179.2° | 179.8° |
| C16 | N10 | C17 | C23 | 2.0° | 0.2° |
| N10 | C16 | N9 | H21 | 178.5° | 0.0° |
| N10 | C16 | N9 | H22 | 1.4° | 180.0° |
| N8 | C16 | N10 | C17 | 2.7° | 0.5° |
| C16 | N8 | C22 | N12 | 178.3° | 179.3° |
| C16 | N8 | C22 | C23 | 0.3° | 0.5° |
| N8 | C16 | N9 | H21 | 0.0° | 180.0° |
| N8 | C16 | N9 | H22 | 180.0° | 0.1° |
| N8 | C16 | N10 | H23 | 177.3° | 179.5° |
| N10 | C17 | O5 | C23 | 178.6° | 180.0° |
| N10 | C17 | C23 | C22 | 0.5° | 1.0° |
| N10 | C17 | C23 | N11 | 178.8° | 179.8° |
| N8 | C22 | C23 | C17 | 0.7° | 1.1° |
| N8 | C22 | N12 | C23 | 178.0° | 179.8° |
| N8 | C22 | N12 | C19 | 179.5° | 151.9° |
| N8 | C22 | C23 | N11 | 179.8° | 179.6° |
| N8 | C22 | N12 | H31 | 58.8° | 28.1° |
| O5 | C17 | C23 | C22 | 179.1° | 179.0° |
| O5 | C17 | C23 | N11 | 0.1° | 0.2° |
| O5 | C17 | N10 | H23 | 0.8° | 0.2° |
| C17 | C23 | C22 | N12 | 178.6° | 178.6° |
| C17 | C23 | C22 | N11 | 179.2° | 179.2° |
| C17 | C23 | N11 | C18 | 177.4° | 168.1° |
| C23 | C17 | N10 | H23 | 178.0° | 179.8° |
| C22 | N12 | C19 | H31 | 121.7° | 180.0° |
| N12 | C22 | C23 | N11 | 2.3° | 0.6° |
| C22 | N12 | C19 | C21 | 118.0° | 80.2° |
| C22 | N12 | C19 | C18 | 0.8° | 39.6° |
| C22 | N12 | C19 | C20 | 119.0° | 159.5° |
| C23 | C22 | N12 | C19 | 2.5° | 28.4° |
| C22 | C23 | N11 | C18 | 1.8° | 12.6° |
| C23 | C22 | N12 | H31 | 119.2° | 151.7° |
| N12 | C19 | C21 | C18 | 118.3° | 119.5° |
| N12 | C19 | C21 | C20 | 117.5° | 120.3° |
| N12 | C19 | C18 | N11 | 5.3° | 27.7° |
| N12 | C19 | C18 | C20 | 117.7° | 119.8° |
| N12 | C19 | C18 | C15 | 177.7° | 152.2° |
| N12 | C19 | C20 | H24 | 180.0° | 69.4° |
| N12 | C19 | C20 | H25 | 60.0° | 50.7° |
| N12 | C19 | C20 | H26 | 60.0° | 170.6° |
| N12 | C19 | C21 | H27 | 180.0° | 179.5° |
| N12 | C19 | C21 | H28 | 60.0° | 60.5° |
| N12 | C19 | C21 | H29 | 60.0° | 59.4° |
| C23 | N11 | C18 | C19 | 5.8° | 2.7° |
| C23 | N11 | C18 | C15 | 177.1° | 177.2° |
| C21 | C19 | C18 | N11 | 120.5° | 92.2° |
| C21 | C19 | C18 | C20 | 127.0° | 120.2° |
| C21 | C19 | C18 | C15 | 62.4° | 87.9° |
| C21 | C19 | C20 | H24 | 63.2° | 170.2° |
| C21 | C19 | C20 | H25 | 176.8° | 69.7° |
| C21 | C19 | C20 | H26 | 56.9° | 50.3° |
| C19 | C21 | H27 | H28 | 120.0° | 120.0° |
| C19 | C21 | H27 | H29 | 120.0° | 120.0° |
| C19 | C21 | H28 | H29 | 120.0° | 120.0° |
| C21 | C19 | N12 | H31 | 120.3° | 99.7° |
| N11 | C18 | C19 | C15 | 177.0° | 179.9° |
| N11 | C18 | C19 | C20 | 112.4° | 147.6° |
| N11 | C18 | C15 | N7 | 20.8° | 6.0° |
| N11 | C18 | C15 | O4 | 159.9° | 174.0° |
| C19 | C18 | C15 | N7 | 161.9° | 174.0° |
| C19 | C18 | C15 | O4 | 17.5° | 6.0° |
| C18 | C19 | C20 | H24 | 60.1° | 50.0° |
| C18 | C19 | C20 | H25 | 59.8° | 170.1° |
| C18 | C19 | C20 | H26 | 179.8° | 69.9° |
| C18 | C19 | C21 | H27 | 61.7° | 60.0° |
| C18 | C19 | C21 | H28 | 178.3° | 180.0° |
| C18 | C19 | C21 | H29 | 58.3° | 60.0° |
| C18 | C19 | N12 | H31 | 122.5° | 140.4° |
| C20 | C19 | C18 | C15 | 64.6° | 32.3° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C19 | C20 | H24 | H26 | 120.0° | 119.9° |
| C19 | C20 | H25 | H26 | 120.0° | 120.0° |
| C20 | C19 | C21 | H27 | 62.4° | 60.2° |
| C20 | C19 | C21 | H28 | 57.6° | 59.8° |
| C20 | C19 | C21 | H29 | 177.5° | 179.7° |
| C20 | C19 | N12 | H31 | 2.7° | 20.5° |
| C18 | C15 | N7 | O4 | 179.4° | 180.0° |
| C18 | C15 | N7 | C14 | 179.6° | 180.0° |
| C18 | C15 | N7 | H20 | 0.4° | 0.0° |
| O6 | C13 | C14 | N7 | 32.6° | 0.0° |
| O6 | C13 | C14 | N6 | 178.7° | 180.0° |
| O6 | C13 | N6 | C12 | 0.7° | 0.0° |
| O6 | C13 | N6 | H15 | 179.3° | 180.0° |
| O6 | C13 | C14 | H18 | 87.3° | 120.0° |
| O6 | C13 | C14 | H19 | 152.6° | 120.0° |
| C15 | N7 | C14 | H20 | 180.0° | 179.9° |
| C15 | N7 | C14 | C13 | 58.1° | 180.0° |
| C15 | N7 | C14 | H18 | 178.0° | 60.0° |
| C15 | N7 | C14 | H19 | 61.9° | 60.0° |
| O4 | C15 | N7 | C14 | 1.1° | 0.0° |
| O4 | C15 | N7 | H20 | 178.9° | 180.0° |
| N7 | C14 | C13 | H18 | 120.0° | 119.9° |
| N7 | C14 | C13 | H19 | 120.0° | 120.0° |
| N7 | C14 | C13 | N6 | 146.0° | 179.9° |
| N7 | C14 | H18 | H19 | 120.2° | 120.0° |
| N3 | C7 | N4 | C6 | 179.8° | 180.0° |
| N3 | C7 | N4 | C8 | 177.9° | 180.0° |
| N3 | C7 | C6 | N2 | 1.2° | 0.0° |
| N3 | C7 | C6 | C9 | 178.6° | 179.7° |
| C7 | N3 | H8 | H9 | 120.0° | 180.0° |
| C14 | C13 | N6 | C12 | 179.4° | 180.0° |
| C14 | C13 | N6 | H15 | 0.6° | 0.0° |
| C13 | C14 | H18 | H19 | 120.1° | 120.1° |
| C13 | C14 | N7 | H20 | 121.9° | 0.1° |
| C13 | N6 | C12 | C11 | 86.8° | 180.0° |
| C13 | N6 | C12 | H15 | 180.0° | 180.0° |
| C13 | N6 | C12 | H16 | 32.9° | 60.0° |
| C13 | N6 | C12 | H17 | 153.5° | 60.0° |
| N6 | C13 | C14 | H18 | 94.0° | 60.0° |
| N6 | C13 | C14 | H19 | 26.1° | 60.0° |
| N4 | C7 | C6 | N2 | 178.6° | 180.0° |
| N4 | C7 | C6 | C9 | 1.6° | 0.3° |
| C7 | N4 | C8 | N5 | 2.5° | 0.1° |
| N4 | C7 | N3 | H8 | 0.0° | 0.0° |
| N4 | C7 | N3 | H9 | 120.0° | 179.9° |
| C7 | N4 | C8 | H10 | 177.5° | 180.0° |
| C6 | C7 | N4 | C8 | 2.2° | 0.0° |
| C7 | C6 | N2 | C9 | 179.8° | 179.7° |
| C7 | C6 | N2 | C5 | 178.8° | 180.0° |
| C7 | C6 | C9 | N5 | 1.1° | 0.6° |
| C7 | C6 | C9 | N1 | 179.7° | 179.8° |
| C6 | C7 | N3 | H8 | 179.8° | 180.0° |
| C6 | C7 | N3 | H9 | 60.2° | 0.1° |
| N4 | C8 | N5 | H10 | 180.0° | 180.0° |
| N4 | C8 | N5 | C9 | 1.8° | 0.4° |
| C6 | N2 | C5 | N1 | 1.4° | 0.0° |
| N2 | C6 | C9 | N5 | 179.1° | 179.6° |
| N2 | C6 | C9 | N1 | 0.1° | 0.4° |
| C6 | N2 | C5 | H7 | 178.6° | 179.9° |
| C5 | N2 | C6 | C9 | 0.9° | 0.3° |
| N2 | C5 | N1 | H7 | 180.0° | 179.9° |
| N2 | C5 | N1 | C9 | 1.4° | 0.3° |
| N2 | C5 | N1 | C4 | 178.3° | 180.0° |
| C12 | C11 | S1 | H13 | 120.5° | 120.0° |
| C12 | C11 | S1 | H14 | 120.6° | 120.0° |
| C11 | C12 | N6 | H16 | 119.7° | 120.0° |
| C11 | C12 | N6 | H17 | 119.7° | 120.0° |
| C12 | C11 | S1 | O7 | 162.6° | 65.6° |
| C12 | C11 | S1 | C10 | 85.0° | 180.0° |
| C12 | C11 | S1 | O8 | 25.1° | 65.5° |
| C12 | C11 | H13 | H14 | 118.3° | 119.9° |
| C11 | C12 | N6 | H15 | 93.2° | 0.0° |
| C11 | C12 | H16 | H17 | 120.8° | 120.0° |
| S1 | C11 | C12 | N6 | 78.0° | 180.0° |
| C11 | S1 | O7 | C10 | 111.4° | 110.0° |
| C11 | S1 | O7 | O8 | 129.9° | 125.0° |
| C11 | S1 | C10 | O8 | 114.9° | 114.5° |
| C11 | S1 | C10 | C1 | 173.0° | 180.0° |
| C11 | S1 | C10 | H11 | 66.6° | 60.0° |
| C11 | S1 | C10 | H12 | 52.6° | 60.0° |
| S1 | C11 | H13 | H14 | 118.3° | 120.1° |
| S1 | C11 | C12 | H16 | 162.2° | 60.0° |
| S1 | C11 | C12 | H17 | 41.7° | 59.9° |
| C6 | C9 | N5 | C8 | 1.1° | 0.7° |
| C6 | C9 | N1 | C5 | 0.7° | 0.4° |
| C6 | C9 | N5 | N1 | 179.1° | 178.9° |
| C6 | C9 | N1 | C4 | 178.0° | 179.9° |
| N6 | C12 | C11 | H13 | 161.5° | 60.0° |
| N6 | C12 | C11 | H14 | 42.5° | 60.0° |
| N6 | C12 | H16 | H17 | 120.8° | 120.1° |
| C8 | N5 | C9 | N1 | 179.9° | 179.6° |
| C5 | N1 | C9 | N5 | 179.9° | 179.4° |
| C5 | N1 | C9 | C4 | 177.3° | 179.7° |
| C5 | N1 | C4 | O1 | 121.3° | 23.6° |
| C5 | N1 | C4 | C3 | 7.1° | 90.5° |
| C5 | N1 | C4 | H6 | 116.7° | 146.6° |
| O7 | S1 | C10 | O8 | 131.7° | 131.0° |
| O7 | S1 | C10 | C1 | 73.6° | 65.5° |
| O7 | S1 | C10 | H11 | 46.8° | 174.5° |
| O7 | S1 | C10 | H12 | 166.0° | 54.5° |
| O7 | S1 | C11 | H13 | 42.0° | 174.5° |
| O7 | S1 | C11 | H14 | 76.8° | 54.5° |
| S1 | C10 | C1 | H11 | 120.4° | 120.0° |
| S1 | C10 | C1 | H12 | 120.5° | 120.0° |
| S1 | C10 | C1 | C2 | 176.1° | 175.6° |
| S1 | C10 | C1 | O1 | 56.6° | 66.5° |
| S1 | C10 | C1 | H1 | 65.0° | 54.5° |
| S1 | C10 | H11 | H12 | 118.7° | 120.0° |
| C10 | S1 | C11 | H13 | 154.5° | 60.0° |
| C10 | S1 | C11 | H14 | 35.6° | 60.0° |
| C1 | C10 | S1 | O8 | 58.1° | 65.5° |
| C10 | C1 | C2 | O1 | 124.9° | 119.5° |
| C10 | C1 | C2 | H1 | 119.1° | 121.1° |
| C10 | C1 | C2 | O2 | 82.8° | 119.8° |
| C10 | C1 | C2 | C3 | 158.6° | 121.5° |
| C10 | C1 | O1 | H1 | 121.2° | 121.0° |
| C10 | C1 | O1 | C4 | 137.6° | 146.1° |
| C10 | C1 | C2 | H2 | 42.1° | 2.7° |
| C1 | C10 | H11 | H12 | 118.7° | 120.0° |
| N5 | C9 | N1 | C4 | 2.8° | 0.9° |
| C9 | N5 | C8 | H10 | 178.2° | 179.6° |
| C9 | N1 | C4 | O1 | 55.2° | 156.8° |
| C9 | N1 | C4 | C3 | 169.4° | 89.2° |
| C9 | N1 | C4 | H6 | 66.8° | 33.8° |
| C9 | N1 | C5 | H7 | 178.6° | 179.8° |
| O8 | S1 | C10 | H11 | 178.6° | 54.5° |
| O8 | S1 | C10 | H12 | 62.3° | 174.5° |
| O8 | S1 | C11 | H13 | 95.4° | 54.5° |
| O8 | S1 | C11 | H14 | 145.7° | 174.5° |
| N1 | C4 | C3 | C2 | 81.9° | 155.5° |
| N1 | C4 | O1 | C1 | 106.2° | 158.6° |
| N1 | C4 | O1 | C3 | 118.3° | 118.5° |
| N1 | C4 | O1 | H6 | 121.7° | 123.0° |
| N1 | C4 | C3 | H6 | 124.5° | 123.0° |
| N1 | C4 | C3 | O3 | 154.9° | 86.3° |
| N1 | C4 | C3 | H4 | 32.4° | 37.3° |
| C4 | N1 | C5 | H7 | 1.7° | 0.1° |
| C1 | C2 | O2 | C3 | 111.5° | 114.8° |
| C1 | C2 | O2 | H2 | 123.4° | 122.6° |
| C1 | C2 | C3 | H2 | 116.9° | 118.7° |
| C2 | C1 | O1 | H1 | 115.4° | 119.4° |
| C2 | C1 | O1 | C4 | 14.2° | 26.6° |
| C1 | C2 | C3 | C4 | 39.5° | 20.9° |
| C1 | C2 | C3 | O3 | 78.1° | 139.1° |
| C1 | C2 | O2 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4 | 154.1° | 97.4° |
| C2 | C1 | C10 | H11 | 55.6° | 55.6° |
| C2 | C1 | C10 | H12 | 63.5° | 64.4° |
| O2 | C2 | C3 | H2 | 126.8° | 122.6° |
| O2 | C2 | C1 | O1 | 152.3° | 120.7° |
| O2 | C2 | C3 | C4 | 155.8° | 97.8° |
| O2 | C2 | C3 | O3 | 38.2° | 20.4° |
| O2 | C2 | C1 | H1 | 36.3° | 1.2° |
| O2 | C2 | C3 | H4 | 89.7° | 144.0° |
| C3 | C2 | C1 | O1 | 33.7° | 2.1° |
| C2 | C3 | C4 | O1 | 32.2° | 37.1° |
| C2 | C3 | C4 | O3 | 123.2° | 118.2° |
| C2 | C3 | C4 | H4 | 114.4° | 118.2° |
| C2 | C3 | O3 | H4 | 126.4° | 123.6° |
| C3 | C2 | C1 | H1 | 82.3° | 117.4° |
| C3 | C2 | O2 | H3 | 68.5° | 65.2° |
| C2 | C3 | O3 | H5 | 180.0° | 61.5° |
| C2 | C3 | C4 | H6 | 153.5° | 81.5° |
| C1 | O1 | C4 | C3 | 12.1° | 40.1° |
| O1 | C1 | C2 | H2 | 82.9° | 116.7° |
| C1 | O1 | C4 | H6 | 132.2° | 78.4° |
| O1 | C1 | C10 | H11 | 63.8° | 173.5° |
| O1 | C1 | C10 | H12 | 177.1° | 53.5° |
| O1 | C4 | C3 | H6 | 121.3° | 118.6° |
| O1 | C4 | C3 | O3 | 90.9° | 155.2° |
| C4 | O1 | C1 | H1 | 101.2° | 92.9° |
| O1 | C4 | C3 | H4 | 146.6° | 81.2° |
| C4 | C3 | O3 | H4 | 120.8° | 123.7° |
| C4 | C3 | C2 | H2 | 77.4° | 139.6° |
| C4 | C3 | O3 | H5 | 67.3° | 174.1° |
| O3 | C3 | C2 | H2 | 165.0° | 102.2° |
| O3 | C3 | C4 | H6 | 30.4° | 36.7° |
| H1 | C1 | C2 | H2 | 161.1° | 123.8° |
| H1 | C1 | C10 | H11 | 174.6° | 65.4° |
| H1 | C1 | C10 | H12 | 55.5° | 174.6° |
| H2 | C2 | O2 | H3 | 56.6° | 57.4° |
| H2 | C2 | C3 | H4 | 37.1° | 21.4° |
| H4 | C3 | O3 | H5 | 53.6° | 62.2° |
| H4 | C3 | C4 | H6 | 92.1° | 160.3° |
| H13 | C11 | C12 | H16 | 41.7° | 179.9° |
| H13 | C11 | C12 | H17 | 78.8° | 60.1° |
| H14 | C11 | C12 | H16 | 77.2° | 60.0° |
| H14 | C11 | C12 | H17 | 162.3° | 180.0° |
| H15 | N6 | C12 | H16 | 147.0° | 119.9° |
| H15 | N6 | C12 | H17 | 26.5° | 120.0° |
| H18 | C14 | N7 | H20 | 2.0° | 120.0° |
| H19 | C14 | N7 | H20 | 118.1° | 120.0° |
| H24 | C20 | H25 | H26 | 120.0° | 120.0° |
| H27 | C21 | H28 | H29 | 120.0° | 120.0° |
