UUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.36Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.28Å | Aromatic |
| C1 | N5 | sing | 1.37Å | 1.28Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.37Å | Aromatic |
| C2 | N4 | sing | 1.35Å | 1.30Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C3 | N3 | sing | 1.38Å | 1.30Å | |
| C4 | C18 | sing | 1.43Å | 1.38Å | |
| C4 | N4 | doub | 1.31Å | 1.28Å | Aromatic |
| C4 | N5 | sing | 1.37Å | 1.30Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.29Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.27Å | Aromatic |
| C5 | C7 | sing | 1.55Å | 1.54Å | |
| C5 | N8 | sing | 1.46Å | 1.44Å | |
| C5 | O3 | sing | 1.44Å | 1.35Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C7 | O1 | sing | 1.43Å | 1.36Å | |
| C8 | C9 | sing | 1.54Å | 1.53Å | |
| C8 | O2 | sing | 1.43Å | 1.34Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | O3 | sing | 1.44Å | 1.35Å | |
| C10 | O4 | sing | 1.43Å | 1.38Å | |
| C11 | N6 | sing | 1.47Å | 1.42Å | |
| C11 | S1 | sing | 1.81Å | 2.31Å | |
| C12 | N6 | sing | 1.47Å | 1.48Å | |
| C12 | S1 | sing | 1.81Å | 2.40Å | |
| C13 | C14 | sing | 1.53Å | 1.58Å | |
| C13 | N7 | sing | 1.47Å | 1.43Å | |
| C14 | C17 | sing | 1.54Å | 1.53Å | |
| C14 | O7 | sing | 1.44Å | 1.35Å | |
| C15 | C16 | sing | 1.54Å | 1.48Å | |
| C15 | N5 | sing | 1.47Å | 1.43Å | |
| C15 | O7 | sing | 1.44Å | 1.37Å | |
| C16 | C17 | sing | 1.55Å | 1.47Å | |
| C16 | O8 | sing | 1.43Å | 1.35Å | |
| C17 | O9 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | trip | 1.17Å | 1.07Å | |
| C19 | C20 | sing | 1.47Å | 1.47Å | |
| C20 | O4 | sing | 1.43Å | 1.46Å | |
| C21 | N8 | sing | 1.36Å | 1.29Å | Aromatic |
| C21 | N9 | doub | 1.30Å | 1.29Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.35Å | Aromatic |
| C22 | C25 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | N9 | sing | 1.36Å | 1.30Å | Aromatic |
| C23 | N8 | sing | 1.37Å | 1.28Å | Aromatic |
| C23 | N10 | sing | 1.33Å | 1.30Å | Aromatic |
| C24 | N10 | doub | 1.32Å | 1.28Å | Aromatic |
| C24 | N11 | sing | 1.32Å | 1.26Å | Aromatic |
| C25 | N11 | doub | 1.33Å | 1.29Å | Aromatic |
| C25 | N12 | sing | 1.38Å | 1.27Å | |
| N6 | S1 | sing | 1.74Å | 1.41Å | |
| N7 | S1 | sing | 1.75Å | 1.40Å | |
| O5 | S1 | sing | 1.66Å | 1.36Å | |
| O6 | S1 | sing | 1.66Å | 1.40Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| N7 | H24 | sing | 1.01Å | 1.00Å | |
| N12 | H25 | sing | 0.97Å | 1.00Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| O1 | H27 | sing | 0.97Å | 0.95Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| O6 | H30 | sing | 0.97Å | 0.95Å | |
| O8 | H31 | sing | 0.97Å | 0.95Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N2 | 120.2° | 119.1° |
| C2 | C1 | N5 | 108.2° | 106.2° |
| C1 | C2 | C3 | 118.6° | 118.1° |
| C1 | C2 | N4 | 105.1° | 107.4° |
| N2 | C1 | N5 | 131.6° | 134.8° |
| C1 | N2 | C6 | 119.9° | 120.7° |
| C1 | N5 | C4 | 108.3° | 107.4° |
| C1 | N5 | C15 | 121.1° | 126.3° |
| C3 | C2 | N4 | 136.2° | 134.4° |
| C2 | C3 | N1 | 117.3° | 118.4° |
| C2 | C3 | N3 | 120.7° | 120.8° |
| C2 | N4 | C4 | 109.4° | 109.4° |
| N1 | C3 | N3 | 121.9° | 120.8° |
| C3 | N1 | C6 | 120.2° | 121.2° |
| C3 | N3 | H22 | 109.5° | 120.0° |
| C3 | N3 | H23 | 109.5° | 120.0° |
| C18 | C4 | N4 | 123.8° | 125.2° |
| C18 | C4 | N5 | 127.3° | 125.2° |
| C4 | C18 | C19 | 178.4° | 180.0° |
| N4 | C4 | N5 | 109.0° | 109.6° |
| C4 | N5 | C15 | 130.6° | 126.3° |
| N1 | C6 | N2 | 123.7° | 122.5° |
| N1 | C6 | H2 | 118.2° | 118.7° |
| N2 | C6 | H2 | 118.1° | 118.8° |
| C7 | C5 | N8 | 111.3° | 110.6° |
| C7 | C5 | O3 | 105.2° | 103.5° |
| C5 | C7 | C8 | 102.7° | 102.1° |
| C5 | C7 | O1 | 110.3° | 110.9° |
| C7 | C5 | H1 | 108.7° | 110.6° |
| C5 | C7 | H3 | 109.3° | 110.9° |
| N8 | C5 | O3 | 109.9° | 110.7° |
| C5 | N8 | C21 | 127.3° | 126.2° |
| C5 | N8 | C23 | 126.2° | 126.3° |
| N8 | C5 | H1 | 110.1° | 110.5° |
| C5 | O3 | C9 | 106.4° | 107.0° |
| O3 | C5 | H1 | 111.5° | 110.7° |
| C8 | C7 | O1 | 112.6° | 110.9° |
| C7 | C8 | C9 | 99.4° | 104.2° |
| C7 | C8 | O2 | 112.8° | 110.5° |
| C8 | C7 | H3 | 109.6° | 110.9° |
| C7 | C8 | H4 | 109.5° | 110.5° |
| O1 | C7 | H3 | 111.9° | 110.8° |
| C7 | O1 | H27 | 109.5° | 114.0° |
| C9 | C8 | O2 | 112.7° | 110.5° |
| C8 | C9 | C10 | 113.7° | 109.9° |
| C8 | C9 | O3 | 102.4° | 107.3° |
| C9 | C8 | H4 | 109.4° | 110.5° |
| C8 | C9 | H5 | 109.2° | 109.9° |
| O2 | C8 | H4 | 112.2° | 110.5° |
| C8 | O2 | H28 | 109.5° | 114.0° |
| C10 | C9 | O3 | 110.4° | 109.9° |
| C9 | C10 | O4 | 114.3° | 109.5° |
| C10 | C9 | H5 | 109.0° | 109.9° |
| C9 | C10 | H6 | 108.3° | 109.5° |
| C9 | C10 | H7 | 108.3° | 109.5° |
| O3 | C9 | H5 | 112.0° | 110.0° |
| C10 | O4 | C20 | 117.7° | 114.0° |
| O4 | C10 | H6 | 108.3° | 109.4° |
| O4 | C10 | H7 | 108.3° | 109.5° |
| N6 | C11 | S1 | 35.3° | 63.2° |
| C11 | N6 | C12 | 113.4° | 90.5° |
| C11 | N6 | S1 | 109.2° | 67.8° |
| N6 | C11 | H8 | 123.4° | 116.9° |
| N6 | C11 | H9 | 123.4° | 116.8° |
| C11 | S1 | C12 | 62.0° | 70.5° |
| C11 | S1 | N6 | 35.5° | 49.0° |
| C11 | S1 | N7 | 140.6° | 153.8° |
| C11 | S1 | O5 | 96.4° | 127.3° |
| C11 | S1 | O6 | 90.2° | 105.1° |
| S1 | C11 | H8 | 123.4° | 117.5° |
| S1 | C11 | H9 | 123.4° | 117.5° |
| N6 | C12 | S1 | 33.1° | 63.2° |
| C12 | N6 | S1 | 111.9° | 68.1° |
| N6 | C12 | H10 | 123.6° | 117.4° |
| N6 | C12 | H11 | 123.6° | 117.5° |
| C12 | S1 | N6 | 35.0° | 48.7° |
| C12 | S1 | N7 | 92.1° | 83.3° |
| C12 | S1 | O5 | 86.5° | 106.1° |
| C12 | S1 | O6 | 152.2° | 139.2° |
| S1 | C12 | H10 | 123.6° | 117.1° |
| S1 | C12 | H11 | 123.6° | 117.2° |
| C14 | C13 | N7 | 114.8° | 109.5° |
| C13 | C14 | C17 | 127.5° | 110.4° |
| C13 | C14 | O7 | 100.2° | 110.3° |
| C14 | C13 | H12 | 108.2° | 109.4° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | H14 | 106.9° | 110.4° |
| C13 | N7 | S1 | 116.9° | 111.0° |
| N7 | C13 | H12 | 108.1° | 109.5° |
| N7 | C13 | H13 | 108.1° | 109.5° |
| C13 | N7 | H24 | 107.6° | 111.0° |
| C17 | C14 | O7 | 103.8° | 104.8° |
| C14 | C17 | C16 | 102.6° | 104.1° |
| C14 | C17 | O9 | 106.9° | 110.5° |
| C17 | C14 | H14 | 107.5° | 110.4° |
| C14 | C17 | H17 | 111.8° | 110.5° |
| C14 | O7 | C15 | 112.0° | 105.3° |
| O7 | C14 | H14 | 110.0° | 110.5° |
| C16 | C15 | N5 | 116.8° | 110.4° |
| C16 | C15 | O7 | 103.6° | 104.8° |
| C15 | C16 | C17 | 99.2° | 104.1° |
| C15 | C16 | O8 | 109.4° | 110.5° |
| C16 | C15 | H15 | 108.6° | 110.4° |
| C15 | C16 | H16 | 112.4° | 110.5° |
| N5 | C15 | O7 | 108.3° | 110.4° |
| N5 | C15 | H15 | 109.2° | 110.3° |
| O7 | C15 | H15 | 110.1° | 110.5° |
| C17 | C16 | O8 | 107.6° | 110.5° |
| C16 | C17 | O9 | 107.5° | 110.5° |
| C17 | C16 | H16 | 112.5° | 110.5° |
| C16 | C17 | H17 | 112.8° | 110.5° |
| O8 | C16 | H16 | 114.6° | 110.6° |
| C16 | O8 | H31 | 109.5° | 114.0° |
| O9 | C17 | H17 | 114.4° | 110.6° |
| C17 | O9 | H32 | 109.5° | 114.0° |
| C18 | C19 | C20 | 178.5° | 180.0° |
| C19 | C20 | O4 | 117.9° | 109.5° |
| C19 | C20 | H18 | 107.3° | 109.5° |
| C19 | C20 | H19 | 107.3° | 109.5° |
| O4 | C20 | H18 | 107.3° | 109.5° |
| O4 | C20 | H19 | 107.3° | 109.4° |
| N8 | C21 | N9 | 111.2° | 110.0° |
| C21 | N8 | C23 | 106.5° | 107.4° |
| N8 | C21 | H20 | 124.4° | 125.0° |
| C21 | N9 | C22 | 107.0° | 109.4° |
| N9 | C21 | H20 | 124.4° | 125.0° |
| C23 | C22 | C25 | 119.2° | 118.2° |
| C23 | C22 | N9 | 106.5° | 107.1° |
| C22 | C23 | N8 | 108.9° | 106.0° |
| C22 | C23 | N10 | 118.8° | 119.1° |
| C25 | C22 | N9 | 134.4° | 134.7° |
| C22 | C25 | N11 | 118.0° | 118.5° |
| C22 | C25 | N12 | 123.5° | 120.8° |
| N8 | C23 | N10 | 132.3° | 134.9° |
| C23 | N10 | C24 | 118.5° | 120.6° |
| N10 | C24 | N11 | 126.1° | 122.5° |
| N10 | C24 | H21 | 116.9° | 118.8° |
| C24 | N11 | C25 | 119.4° | 121.2° |
| N11 | C24 | H21 | 116.9° | 118.7° |
| N11 | C25 | N12 | 118.5° | 120.7° |
| C25 | N12 | H25 | 109.5° | 120.0° |
| C25 | N12 | H26 | 109.4° | 120.0° |
| N6 | S1 | N7 | 106.9° | 111.8° |
| N6 | S1 | O5 | 109.1° | 154.7° |
| N6 | S1 | O6 | 119.3° | 152.9° |
| N7 | S1 | O5 | 112.0° | 60.4° |
| N7 | S1 | O6 | 110.7° | 95.3° |
| S1 | N7 | H24 | 107.6° | 111.0° |
| O5 | S1 | O6 | 98.7° | 43.0° |
| S1 | O5 | H29 | 109.5° | 114.0° |
| S1 | O6 | H30 | 109.5° | 114.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 115.1° |
| H10 | C12 | H11 | 109.4° | 114.9° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H22 | N3 | H23 | 109.4° | 120.0° |
| H25 | N12 | H26 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N2 | N5 | 178.8° | 179.7° |
| C1 | C2 | C3 | N4 | 179.5° | 180.0° |
| C1 | C2 | C3 | N1 | 0.1° | 0.0° |
| C1 | C2 | C3 | N3 | 179.7° | 180.0° |
| C1 | C2 | N4 | C4 | 0.6° | 0.0° |
| C2 | C1 | N5 | C4 | 0.2° | 0.3° |
| C2 | C1 | N2 | C6 | 1.0° | 0.0° |
| C2 | C1 | N5 | C15 | 178.1° | 180.0° |
| N2 | C1 | C2 | C3 | 0.4° | 0.0° |
| N2 | C1 | C2 | N4 | 179.3° | 180.0° |
| N2 | C1 | N5 | C4 | 178.7° | 179.9° |
| C1 | N2 | C6 | N1 | 1.4° | 0.1° |
| N2 | C1 | N5 | C15 | 0.8° | 0.2° |
| C1 | N2 | C6 | H2 | 178.6° | 180.0° |
| N5 | C1 | C2 | C3 | 179.4° | 179.8° |
| N5 | C1 | C2 | N4 | 0.2° | 0.2° |
| C1 | N5 | C4 | C18 | 179.6° | 179.9° |
| C1 | N5 | C4 | N4 | 0.5° | 0.3° |
| C1 | N5 | C4 | C15 | 177.6° | 179.7° |
| N5 | C1 | N2 | C6 | 179.8° | 179.7° |
| C1 | N5 | C15 | C16 | 131.2° | 74.2° |
| C1 | N5 | C15 | O7 | 112.4° | 41.1° |
| C1 | N5 | C15 | H15 | 7.5° | 163.6° |
| C2 | C3 | N1 | N3 | 179.7° | 179.9° |
| C3 | C2 | N4 | C4 | 179.0° | 180.0° |
| C2 | C3 | N1 | C6 | 0.4° | 0.1° |
| C2 | C3 | N3 | H22 | 179.7° | 0.1° |
| C2 | C3 | N3 | H23 | 60.3° | 180.0° |
| N4 | C2 | C3 | N1 | 179.4° | 180.0° |
| N4 | C2 | C3 | N3 | 0.9° | 0.0° |
| C2 | N4 | C4 | C18 | 179.4° | 180.0° |
| C2 | N4 | C4 | N5 | 0.7° | 0.2° |
| C3 | N1 | C6 | N2 | 1.1° | 0.1° |
| C3 | N1 | C6 | H2 | 178.9° | 180.0° |
| N1 | C3 | N3 | H22 | 0.0° | 179.9° |
| N1 | C3 | N3 | H23 | 120.0° | 0.1° |
| N3 | C3 | N1 | C6 | 179.3° | 180.0° |
| C3 | N3 | H22 | H23 | 120.0° | 179.9° |
| C18 | C4 | N4 | N5 | 179.9° | 179.8° |
| C18 | C4 | N5 | C15 | 2.0° | 0.2° |
| C4 | C18 | C19 | C20 | 18.1° | 115.1° |
| N4 | C4 | N5 | C15 | 178.1° | 180.0° |
| N4 | C4 | C18 | C19 | 149.7° | 9.8° |
| C4 | N5 | C15 | C16 | 51.5° | 106.1° |
| C4 | N5 | C15 | O7 | 65.0° | 138.5° |
| N5 | C4 | C18 | C19 | 30.4° | 170.4° |
| C4 | N5 | C15 | H15 | 175.1° | 16.1° |
| N1 | C6 | N2 | H2 | 180.0° | 179.9° |
| C7 | C5 | N8 | O3 | 116.1° | 114.1° |
| C7 | C5 | N8 | H1 | 120.6° | 122.8° |
| C7 | C5 | O3 | H1 | 117.7° | 118.5° |
| C5 | C7 | C8 | O1 | 118.6° | 118.3° |
| C5 | C7 | C8 | H3 | 116.1° | 118.2° |
| C5 | C7 | O1 | H3 | 121.9° | 123.6° |
| C5 | C7 | C8 | C9 | 18.7° | 20.8° |
| C5 | C7 | C8 | O2 | 138.3° | 97.8° |
| C7 | C5 | O3 | C9 | 37.7° | 40.0° |
| C7 | C5 | N8 | C21 | 66.4° | 95.1° |
| C7 | C5 | N8 | C23 | 113.4° | 85.0° |
| C5 | C7 | C8 | H4 | 95.9° | 139.5° |
| C5 | C7 | O1 | H27 | 180.0° | 179.9° |
| N8 | C5 | O3 | H1 | 122.4° | 122.9° |
| N8 | C5 | C7 | C8 | 127.8° | 155.5° |
| N8 | C5 | C7 | O1 | 112.0° | 86.2° |
| N8 | C5 | O3 | C9 | 157.7° | 158.6° |
| C5 | N8 | C21 | C23 | 179.8° | 179.9° |
| C5 | N8 | C21 | N9 | 179.0° | 180.0° |
| C5 | N8 | C23 | C22 | 179.2° | 180.0° |
| C5 | N8 | C23 | N10 | 0.6° | 0.1° |
| N8 | C5 | C7 | H3 | 11.5° | 37.3° |
| C5 | N8 | C21 | H20 | 1.0° | 0.2° |
| O3 | C5 | C7 | C8 | 8.8° | 37.0° |
| O3 | C5 | C7 | O1 | 129.0° | 155.2° |
| C5 | O3 | C9 | C8 | 51.0° | 26.5° |
| C5 | O3 | C9 | C10 | 172.4° | 145.9° |
| O3 | C5 | N8 | C21 | 49.8° | 19.1° |
| O3 | C5 | N8 | C23 | 130.5° | 160.8° |
| O3 | C5 | C7 | H3 | 107.5° | 81.2° |
| C5 | O3 | C9 | H5 | 65.9° | 93.0° |
| C8 | C7 | O1 | H3 | 124.0° | 123.6° |
| C7 | C8 | C9 | O2 | 119.7° | 118.7° |
| C7 | C8 | C9 | H4 | 114.7° | 118.7° |
| C7 | C8 | O2 | H4 | 124.3° | 122.7° |
| C7 | C8 | C9 | C10 | 160.6° | 121.4° |
| C7 | C8 | C9 | O3 | 41.5° | 2.1° |
| C8 | C7 | C5 | H1 | 110.7° | 81.6° |
| C7 | C8 | C9 | H5 | 77.3° | 117.5° |
| C8 | C7 | O1 | H27 | 66.0° | 67.3° |
| C7 | C8 | O2 | H28 | 180.0° | 61.5° |
| O1 | C7 | C8 | C9 | 99.9° | 139.1° |
| O1 | C7 | C8 | O2 | 19.7° | 20.4° |
| O1 | C7 | C5 | H1 | 9.5° | 36.6° |
| O1 | C7 | C8 | H4 | 145.5° | 102.2° |
| C9 | C8 | O2 | H4 | 124.1° | 122.6° |
| C8 | C9 | C10 | O3 | 114.4° | 117.8° |
| C8 | C9 | C10 | H5 | 122.2° | 121.0° |
| C8 | C9 | O3 | H5 | 116.9° | 119.5° |
| C8 | C9 | C10 | O4 | 174.7° | 175.3° |
| C9 | C8 | C7 | H3 | 134.8° | 97.4° |
| C8 | C9 | C10 | H6 | 53.9° | 55.4° |
| C8 | C9 | C10 | H7 | 64.6° | 64.6° |
| C9 | C8 | O2 | H28 | 68.4° | 176.2° |
| O2 | C8 | C9 | C10 | 79.7° | 119.9° |
| O2 | C8 | C9 | O3 | 161.2° | 120.7° |
| O2 | C8 | C7 | H3 | 105.6° | 144.0° |
| O2 | C8 | C9 | H5 | 42.4° | 1.1° |
| C10 | C9 | O3 | H5 | 121.7° | 121.1° |
| C9 | C10 | O4 | H6 | 120.7° | 120.0° |
| C9 | C10 | O4 | H7 | 120.7° | 120.0° |
| C9 | C10 | O4 | C20 | 80.6° | 175.1° |
| C10 | C9 | C8 | H4 | 46.0° | 2.7° |
| C9 | C10 | H6 | H7 | 117.8° | 120.0° |
| O3 | C9 | C10 | O4 | 70.9° | 66.9° |
| C9 | O3 | C5 | H1 | 80.0° | 78.5° |
| O3 | C9 | C8 | H4 | 73.2° | 116.7° |
| O3 | C9 | C10 | H6 | 168.3° | 173.2° |
| O3 | C9 | C10 | H7 | 49.8° | 53.2° |
| C10 | O4 | C20 | C19 | 68.3° | 175.1° |
| O4 | C10 | C9 | H5 | 52.5° | 54.3° |
| O4 | C10 | H6 | H7 | 117.8° | 120.0° |
| C10 | O4 | C20 | H18 | 170.5° | 64.9° |
| C10 | O4 | C20 | H19 | 52.9° | 55.1° |
| N6 | C11 | S1 | H8 | 102.1° | 108.0° |
| N6 | C11 | S1 | H9 | 102.1° | 107.9° |
| C11 | N6 | C12 | S1 | 124.0° | 65.7° |
| C11 | N6 | S1 | N7 | 165.1° | 158.8° |
| C11 | N6 | S1 | O5 | 73.6° | 92.4° |
| C11 | N6 | S1 | O6 | 38.6° | 19.6° |
| N6 | C11 | H8 | H9 | 158.7° | 142.8° |
| C11 | N6 | C12 | H10 | 134.6° | 173.9° |
| C11 | N6 | C12 | H11 | 22.7° | 42.6° |
| C11 | S1 | C12 | N7 | 148.9° | 179.0° |
| C11 | S1 | C12 | O5 | 99.1° | 124.5° |
| C11 | S1 | C12 | O6 | 3.0° | 90.7° |
| C11 | S1 | N7 | C13 | 49.0° | 173.5° |
| C11 | S1 | N7 | O5 | 133.1° | 115.1° |
| C11 | S1 | N7 | O6 | 117.8° | 141.2° |
| C11 | S1 | O5 | O6 | 91.2° | 70.2° |
| S1 | C11 | H8 | H9 | 158.7° | 144.9° |
| C11 | S1 | C12 | H10 | 133.3° | 160.8° |
| C11 | S1 | C12 | H11 | 69.4° | 56.7° |
| C11 | S1 | N7 | H24 | 170.1° | 62.6° |
| C11 | S1 | O5 | H29 | 180.0° | 60.9° |
| C11 | S1 | O6 | H30 | 180.0° | 119.5° |
| N6 | C12 | S1 | H10 | 101.4° | 108.7° |
| N6 | C12 | S1 | H11 | 101.4° | 108.8° |
| C12 | N6 | S1 | N7 | 68.5° | 58.8° |
| C12 | N6 | S1 | O5 | 52.8° | 7.6° |
| C12 | N6 | S1 | O6 | 165.0° | 119.7° |
| C12 | N6 | C11 | H8 | 23.4° | 42.9° |
| C12 | N6 | C11 | H9 | 132.4° | 174.9° |
| N6 | C12 | H10 | H11 | 160.0° | 144.4° |
| C12 | S1 | N7 | C13 | 95.0° | 175.7° |
| C12 | S1 | N7 | O5 | 87.1° | 112.9° |
| C12 | S1 | N7 | O6 | 163.7° | 139.0° |
| C12 | S1 | O5 | O6 | 152.5° | 147.7° |
| C12 | S1 | C11 | H8 | 70.5° | 56.3° |
| C12 | S1 | C11 | H9 | 133.7° | 159.6° |
| S1 | C12 | H10 | H11 | 160.0° | 143.4° |
| C12 | S1 | N7 | H24 | 143.9° | 60.4° |
| C12 | S1 | O5 | H29 | 118.7° | 16.6° |
| C12 | S1 | O6 | H30 | 177.3° | 163.0° |
| C14 | C13 | N7 | H12 | 120.8° | 120.0° |
| C14 | C13 | N7 | H13 | 120.8° | 120.1° |
| C13 | C14 | C17 | O7 | 114.7° | 118.8° |
| C13 | C14 | C17 | H14 | 128.8° | 122.3° |
| C13 | C14 | O7 | H14 | 112.3° | 122.3° |
| C13 | C14 | O7 | C15 | 138.9° | 159.4° |
| C13 | C14 | C17 | C16 | 93.3° | 142.8° |
| C13 | C14 | C17 | O9 | 153.7° | 98.6° |
| C14 | C13 | N7 | S1 | 115.2° | 161.3° |
| C14 | C13 | H12 | H13 | 117.6° | 119.9° |
| C13 | C14 | C17 | H17 | 27.9° | 24.2° |
| C14 | C13 | N7 | H24 | 5.9° | 74.8° |
| N7 | C13 | C14 | C17 | 58.6° | 178.4° |
| N7 | C13 | C14 | O7 | 175.0° | 66.2° |
| C13 | N7 | S1 | N6 | 62.7° | 135.4° |
| C13 | N7 | S1 | H24 | 121.1° | 123.9° |
| C13 | N7 | S1 | O5 | 177.9° | 71.4° |
| C13 | N7 | S1 | O6 | 68.8° | 45.3° |
| N7 | C13 | H12 | H13 | 117.6° | 120.0° |
| N7 | C13 | C14 | H14 | 70.4° | 56.1° |
| C17 | C14 | O7 | H14 | 114.7° | 118.9° |
| C14 | C17 | C16 | C15 | 37.9° | 0.0° |
| C17 | C14 | O7 | C15 | 6.0° | 40.6° |
| C14 | C17 | C16 | O9 | 112.5° | 118.6° |
| C14 | C17 | C16 | H17 | 120.4° | 118.6° |
| C14 | C17 | C16 | O8 | 151.7° | 118.6° |
| C14 | C17 | O9 | H17 | 124.3° | 122.7° |
| C17 | C14 | C13 | H12 | 62.1° | 58.4° |
| C17 | C14 | C13 | H13 | 179.4° | 61.5° |
| C14 | C17 | C16 | H16 | 81.1° | 118.7° |
| C14 | C17 | O9 | H32 | 180.0° | 180.0° |
| C14 | O7 | C15 | C16 | 31.1° | 40.6° |
| C14 | O7 | C15 | N5 | 155.8° | 159.4° |
| O7 | C14 | C17 | C16 | 21.5° | 24.0° |
| O7 | C14 | C17 | O9 | 91.5° | 142.6° |
| O7 | C14 | C13 | H12 | 54.2° | 173.7° |
| O7 | C14 | C13 | H13 | 64.3° | 53.8° |
| C14 | O7 | C15 | H15 | 84.8° | 78.3° |
| O7 | C14 | C17 | H17 | 142.6° | 94.6° |
| C16 | C15 | N5 | O7 | 116.4° | 115.3° |
| C16 | C15 | N5 | H15 | 123.7° | 122.2° |
| C16 | C15 | O7 | H15 | 116.0° | 118.9° |
| C15 | C16 | C17 | O8 | 113.8° | 118.7° |
| C15 | C16 | C17 | H16 | 119.0° | 118.7° |
| C15 | C16 | O8 | H16 | 127.2° | 122.7° |
| C15 | C16 | C17 | O9 | 74.6° | 118.6° |
| C15 | C16 | C17 | H17 | 158.3° | 118.6° |
| C15 | C16 | O8 | H31 | 180.0° | 180.0° |
| N5 | C15 | O7 | H15 | 119.4° | 122.3° |
| N5 | C15 | C16 | C17 | 161.3° | 142.8° |
| N5 | C15 | C16 | O8 | 86.3° | 98.5° |
| N5 | C15 | C16 | H16 | 42.2° | 24.2° |
| O7 | C15 | C16 | C17 | 42.3° | 24.0° |
| O7 | C15 | C16 | O8 | 154.8° | 142.6° |
| C15 | O7 | C14 | H14 | 108.8° | 78.3° |
| O7 | C15 | C16 | H16 | 76.8° | 94.6° |
| C17 | C16 | O8 | H16 | 126.0° | 122.6° |
| C16 | C17 | O9 | H17 | 126.1° | 122.7° |
| C16 | C17 | C14 | H14 | 137.9° | 94.9° |
| C17 | C16 | C15 | H15 | 74.7° | 95.0° |
| C17 | C16 | O8 | H31 | 73.2° | 65.4° |
| C16 | C17 | O9 | H32 | 70.4° | 65.4° |
| O8 | C16 | C17 | O9 | 39.2° | 0.0° |
| O8 | C16 | C15 | H15 | 37.7° | 23.7° |
| O8 | C16 | C17 | H17 | 87.8° | 122.7° |
| O9 | C17 | C14 | H14 | 24.9° | 23.7° |
| O9 | C17 | C16 | H16 | 166.4° | 122.7° |
| C18 | C19 | C20 | O4 | 66.4° | 74.7° |
| C18 | C19 | C20 | H18 | 54.8° | 165.2° |
| C18 | C19 | C20 | H19 | 172.3° | 45.2° |
| C19 | C20 | O4 | H18 | 121.2° | 120.0° |
| C19 | C20 | O4 | H19 | 121.2° | 120.0° |
| C19 | C20 | H18 | H19 | 116.1° | 120.0° |
| C20 | O4 | C10 | H6 | 40.1° | 65.0° |
| C20 | O4 | C10 | H7 | 158.7° | 55.0° |
| O4 | C20 | H18 | H19 | 116.2° | 120.0° |
| N8 | C21 | N9 | H20 | 180.0° | 179.8° |
| C21 | N8 | C23 | C22 | 0.6° | 0.1° |
| N8 | C21 | N9 | C22 | 0.6° | 0.0° |
| C21 | N8 | C23 | N10 | 179.6° | 179.9° |
| C21 | N8 | C5 | H1 | 173.0° | 142.1° |
| C21 | N9 | C22 | C23 | 0.2° | 0.0° |
| C21 | N9 | C22 | C25 | 179.4° | 180.0° |
| N9 | C21 | N8 | C23 | 0.7° | 0.1° |
| C23 | C22 | C25 | N9 | 179.2° | 180.0° |
| C22 | C23 | N8 | N10 | 179.8° | 179.8° |
| C22 | C23 | N10 | C24 | 0.3° | 0.1° |
| C23 | C22 | C25 | N11 | 0.5° | 0.0° |
| C23 | C22 | C25 | N12 | 179.5° | 179.9° |
| C25 | C22 | C23 | N8 | 179.1° | 179.9° |
| C25 | C22 | C23 | N10 | 0.7° | 0.1° |
| C22 | C25 | N11 | C24 | 0.1° | 0.0° |
| C22 | C25 | N11 | N12 | 179.1° | 179.9° |
| C22 | C25 | N12 | H25 | 179.0° | 0.0° |
| C22 | C25 | N12 | H26 | 59.0° | 180.0° |
| N9 | C22 | C23 | N8 | 0.3° | 0.1° |
| N9 | C22 | C23 | N10 | 179.9° | 180.0° |
| N9 | C22 | C25 | N11 | 179.6° | 180.0° |
| N9 | C22 | C25 | N12 | 1.4° | 0.0° |
| C22 | N9 | C21 | H20 | 179.4° | 179.8° |
| N8 | C23 | N10 | C24 | 179.4° | 179.9° |
| C23 | N8 | C5 | H1 | 7.3° | 37.8° |
| C23 | N8 | C21 | H20 | 179.3° | 179.7° |
| C23 | N10 | C24 | N11 | 0.3° | 0.1° |
| C23 | N10 | C24 | H21 | 179.7° | 180.0° |
| N10 | C24 | N11 | H21 | 180.0° | 180.0° |
| N10 | C24 | N11 | C25 | 0.6° | 0.0° |
| C24 | N11 | C25 | N12 | 178.9° | 180.0° |
| C25 | N11 | C24 | H21 | 179.5° | 180.0° |
| N11 | C25 | N12 | H25 | 0.0° | 179.9° |
| N11 | C25 | N12 | H26 | 120.0° | 0.1° |
| C25 | N12 | H25 | H26 | 120.0° | 180.0° |
| N6 | S1 | N7 | O5 | 119.4° | 153.2° |
| N6 | S1 | N7 | O6 | 131.4° | 179.3° |
| N6 | S1 | O5 | O6 | 125.2° | 141.8° |
| N6 | S1 | N7 | H24 | 176.3° | 100.7° |
| N6 | S1 | O5 | H29 | 145.9° | 10.7° |
| N6 | S1 | O6 | H30 | 158.8° | 104.3° |
| N7 | S1 | O5 | O6 | 116.6° | 140.0° |
| N7 | S1 | C11 | H8 | 125.0° | 58.6° |
| N7 | S1 | C11 | H9 | 79.3° | 157.3° |
| N7 | S1 | C12 | H10 | 15.6° | 18.2° |
| N7 | S1 | C12 | H11 | 141.6° | 124.3° |
| S1 | N7 | C13 | H12 | 124.0° | 41.3° |
| S1 | N7 | C13 | H13 | 5.6° | 78.6° |
| N7 | S1 | O5 | H29 | 27.8° | 88.9° |
| N7 | S1 | O6 | H30 | 34.2° | 77.1° |
| O5 | S1 | C11 | H8 | 12.1° | 39.5° |
| O5 | S1 | C11 | H9 | 143.7° | 104.7° |
| O5 | S1 | C12 | H10 | 127.6° | 74.7° |
| O5 | S1 | C12 | H11 | 29.7° | 67.8° |
| O5 | S1 | N7 | H24 | 56.8° | 52.5° |
| O5 | S1 | O6 | H30 | 83.5° | 111.3° |
| O6 | S1 | C11 | H8 | 110.9° | 81.1° |
| O6 | S1 | C11 | H9 | 44.9° | 63.0° |
| O6 | S1 | C12 | H10 | 130.3° | 108.5° |
| O6 | S1 | C12 | H11 | 72.5° | 34.0° |
| O6 | S1 | N7 | H24 | 52.3° | 78.6° |
| O6 | S1 | O5 | H29 | 88.8° | 131.1° |
| H1 | C5 | C7 | H3 | 132.9° | 160.2° |
| H3 | C7 | C8 | H4 | 20.2° | 21.3° |
| H3 | C7 | O1 | H27 | 58.1° | 56.3° |
| H4 | C8 | C9 | H5 | 168.0° | 123.7° |
| H4 | C8 | O2 | H28 | 55.7° | 61.2° |
| H5 | C9 | C10 | H6 | 68.2° | 65.6° |
| H5 | C9 | C10 | H7 | 173.2° | 174.4° |
| H12 | C13 | C14 | H14 | 168.9° | 63.9° |
| H12 | C13 | N7 | H24 | 114.9° | 165.2° |
| H13 | C13 | C14 | H14 | 50.4° | 176.2° |
| H13 | C13 | N7 | H24 | 126.7° | 45.3° |
| H14 | C14 | C17 | H17 | 100.9° | 146.4° |
| H15 | C15 | C16 | H16 | 166.2° | 146.4° |
| H16 | C16 | C17 | H17 | 39.3° | 0.1° |
| H16 | C16 | O8 | H31 | 52.8° | 57.2° |
| H17 | C17 | O9 | H32 | 55.7° | 57.4° |
