75C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| O6 | P1 | sing | 1.61Å | 1.83Å | |
| O9 | C16 | doub | 1.21Å | 1.22Å | |
| O8 | P1 | sing | 1.61Å | 1.73Å | |
| O8 | C19 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C21 | sing | 1.53Å | 1.52Å | |
| P1 | O1 | doub | 1.48Å | 1.83Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | N9 | sing | 1.35Å | 1.26Å | |
| C17 | O10 | sing | 1.43Å | 1.43Å | |
| N9 | C15 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O7 | C13 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N8 | sing | 1.35Å | 1.26Å | |
| N8 | C12 | sing | 1.46Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | S2 | sing | 1.81Å | 1.76Å | |
| C4 | S2 | sing | 1.81Å | 1.77Å | |
| C4 | C9 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | N3 | sing | 1.47Å | 1.48Å | |
| O11 | C10 | sing | 1.43Å | 1.43Å | |
| O4 | S1 | doub | 1.42Å | 1.44Å | |
| C5 | S1 | sing | 1.81Å | 1.67Å | |
| S1 | N1 | sing | 1.66Å | 1.60Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C25 | sing | 1.53Å | 1.52Å | |
| N6 | C3 | doub | 1.30Å | 1.35Å | Aromatic |
| N6 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| O12 | C25 | sing | 1.44Å | 1.43Å | |
| O12 | C22 | sing | 1.44Å | 1.43Å | |
| N5 | C2 | sing | 1.38Å | 1.35Å | |
| C25 | C24 | sing | 1.54Å | 1.52Å | |
| C8 | C2 | doub | 1.41Å | 1.39Å | Aromatic |
| C8 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| N7 | C22 | sing | 1.46Å | 1.48Å | |
| N7 | C1 | sing | 1.37Å | 1.33Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.55Å | 1.52Å | |
| C1 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C23 | sing | 1.55Å | 1.51Å | |
| C24 | O2 | sing | 1.43Å | 1.43Å | |
| N4 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C23 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| N3 | H9 | sing | 1.01Å | 1.00Å | |
| N3 | H10 | sing | 1.01Å | 1.00Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| O6 | H24 | sing | 0.97Å | 0.95Å | |
| N8 | H25 | sing | 0.97Å | 1.00Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| O10 | H32 | sing | 0.97Å | 0.95Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| O11 | H41 | sing | 0.97Å | 0.95Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| P1 | O13 | sing | 1.61Å | 1.61Å | |
| O13 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C17 | 110.8° | 109.4° |
| C20 | C18 | C19 | 109.0° | 109.5° |
| C20 | C18 | C21 | 108.8° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.4° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| O6 | P1 | O8 | 107.8° | 109.5° |
| O6 | P1 | O1 | 119.5° | 109.5° |
| P1 | O6 | H24 | 109.5° | 114.0° |
| O6 | P1 | O13 | 107.4° | 109.5° |
| O9 | C16 | C17 | 121.0° | 120.0° |
| O9 | C16 | N9 | 122.9° | 120.0° |
| P1 | O8 | C19 | 120.5° | 123.0° |
| O8 | P1 | O1 | 108.1° | 109.5° |
| O8 | P1 | O13 | 104.6° | 109.4° |
| O8 | C19 | C18 | 109.4° | 109.4° |
| O8 | C19 | H33 | 109.5° | 109.4° |
| O8 | C19 | H34 | 109.5° | 109.5° |
| C17 | C18 | C19 | 108.9° | 109.5° |
| C17 | C18 | C21 | 110.2° | 109.4° |
| C18 | C17 | C16 | 112.3° | 109.5° |
| C18 | C17 | O10 | 108.7° | 109.5° |
| C18 | C17 | H31 | 108.6° | 109.5° |
| C19 | C18 | C21 | 109.2° | 109.5° |
| C18 | C19 | H33 | 109.5° | 109.5° |
| C18 | C19 | H34 | 109.5° | 109.5° |
| C18 | C21 | H38 | 109.5° | 109.5° |
| C18 | C21 | H39 | 109.5° | 109.5° |
| C18 | C21 | H40 | 109.5° | 109.5° |
| O1 | P1 | O13 | 108.4° | 109.5° |
| C17 | C16 | N9 | 116.1° | 120.0° |
| C16 | C17 | O10 | 108.5° | 109.4° |
| C16 | C17 | H31 | 108.9° | 109.4° |
| C16 | N9 | C15 | 127.1° | 120.0° |
| C16 | N9 | H30 | 116.4° | 120.0° |
| O10 | C17 | H31 | 109.9° | 109.4° |
| C17 | O10 | H32 | 109.5° | 114.0° |
| N9 | C15 | C14 | 105.4° | 109.5° |
| N9 | C15 | H28 | 110.5° | 109.5° |
| N9 | C15 | H29 | 110.5° | 109.5° |
| C15 | N9 | H30 | 116.5° | 120.0° |
| C15 | C14 | C13 | 110.1° | 109.5° |
| C15 | C14 | H26 | 109.3° | 109.5° |
| C15 | C14 | H27 | 109.3° | 109.4° |
| C14 | C15 | H28 | 110.5° | 109.5° |
| C14 | C15 | H29 | 110.5° | 109.4° |
| O7 | C13 | C14 | 120.2° | 120.0° |
| O7 | C13 | N8 | 123.3° | 120.0° |
| C14 | C13 | N8 | 116.4° | 120.0° |
| C13 | C14 | H26 | 109.3° | 109.5° |
| C13 | C14 | H27 | 109.3° | 109.5° |
| C13 | N8 | C12 | 129.1° | 120.0° |
| C13 | N8 | H25 | 115.5° | 120.0° |
| N8 | C12 | C11 | 105.0° | 109.5° |
| N8 | C12 | H22 | 110.6° | 109.4° |
| N8 | C12 | H23 | 110.6° | 109.4° |
| C12 | N8 | H25 | 115.5° | 120.0° |
| C12 | C11 | S2 | 112.4° | 109.5° |
| C12 | C11 | H20 | 108.8° | 109.5° |
| C12 | C11 | H21 | 108.7° | 109.5° |
| C11 | C12 | H22 | 110.6° | 109.5° |
| C11 | C12 | H23 | 110.6° | 109.5° |
| C11 | S2 | C4 | 111.4° | 103.0° |
| S2 | C11 | H20 | 108.7° | 109.4° |
| S2 | C11 | H21 | 108.7° | 109.5° |
| S2 | C4 | C9 | 111.6° | 109.5° |
| S2 | C4 | C5 | 111.6° | 109.5° |
| S2 | C4 | H4 | 105.6° | 109.5° |
| C9 | C4 | C5 | 111.7° | 109.4° |
| C4 | C9 | C10 | 117.1° | 109.5° |
| C4 | C9 | N3 | 108.2° | 109.5° |
| C9 | C4 | H4 | 108.0° | 109.5° |
| C4 | C9 | H17 | 106.6° | 109.4° |
| C4 | C5 | S1 | 115.8° | 109.4° |
| C5 | C4 | H4 | 108.0° | 109.4° |
| C4 | C5 | H6 | 107.9° | 109.4° |
| C4 | C5 | H7 | 107.9° | 109.5° |
| C10 | C9 | N3 | 110.4° | 109.5° |
| C9 | C10 | O11 | 105.2° | 109.5° |
| C10 | C9 | H17 | 106.8° | 109.5° |
| C9 | C10 | H18 | 110.5° | 109.4° |
| C9 | C10 | H19 | 110.5° | 109.5° |
| C9 | N3 | H9 | 109.5° | 111.0° |
| C9 | N3 | H10 | 109.5° | 111.0° |
| N3 | C9 | H17 | 107.3° | 109.5° |
| O11 | C10 | H18 | 110.5° | 109.5° |
| O11 | C10 | H19 | 110.5° | 109.4° |
| C10 | O11 | H41 | 109.5° | 114.0° |
| O4 | S1 | C5 | 112.8° | 110.5° |
| O4 | S1 | N1 | 109.5° | 104.3° |
| O4 | S1 | O5 | 108.3° | 121.1° |
| C5 | S1 | N1 | 108.9° | 104.4° |
| C5 | S1 | O5 | 109.2° | 110.5° |
| S1 | C5 | H6 | 107.9° | 109.5° |
| S1 | C5 | H7 | 107.9° | 109.5° |
| N1 | S1 | O5 | 108.0° | 104.3° |
| S1 | N1 | C7 | 108.5° | 120.0° |
| S1 | N1 | H5 | 109.7° | 120.0° |
| N1 | C7 | C25 | 108.9° | 109.5° |
| C7 | N1 | H5 | 109.7° | 120.0° |
| N1 | C7 | H13 | 109.6° | 109.4° |
| N1 | C7 | H14 | 109.6° | 109.5° |
| C7 | C25 | O12 | 110.4° | 109.9° |
| C7 | C25 | C24 | 112.5° | 109.9° |
| C25 | C7 | H13 | 109.6° | 109.5° |
| C25 | C7 | H14 | 109.6° | 109.5° |
| C7 | C25 | H45 | 108.5° | 109.9° |
| C3 | N6 | C8 | 107.6° | 109.4° |
| N6 | C3 | N7 | 108.9° | 110.0° |
| N6 | C3 | H2 | 125.5° | 125.0° |
| N6 | C8 | C2 | 133.6° | 134.6° |
| N6 | C8 | C1 | 107.4° | 107.2° |
| C3 | N7 | C22 | 126.2° | 126.3° |
| C3 | N7 | C1 | 108.4° | 107.4° |
| N7 | C3 | H2 | 125.5° | 124.9° |
| C25 | O12 | C22 | 110.8° | 106.9° |
| O12 | C25 | C24 | 106.9° | 107.3° |
| O12 | C25 | H45 | 109.9° | 110.0° |
| O12 | C22 | N7 | 109.8° | 110.6° |
| O12 | C22 | C23 | 107.5° | 103.5° |
| O12 | C22 | H42 | 110.7° | 110.8° |
| N5 | C2 | C8 | 120.4° | 120.8° |
| N5 | C2 | N2 | 120.4° | 120.8° |
| C2 | N5 | H15 | 109.5° | 120.0° |
| C2 | N5 | H16 | 109.5° | 120.0° |
| C25 | C24 | C23 | 104.6° | 104.2° |
| C25 | C24 | O2 | 110.6° | 110.5° |
| C25 | C24 | H44 | 110.0° | 110.6° |
| C24 | C25 | H45 | 108.6° | 109.9° |
| C2 | C8 | C1 | 119.0° | 118.2° |
| C8 | C2 | N2 | 119.2° | 118.4° |
| C8 | C1 | N7 | 107.7° | 106.0° |
| C8 | C1 | N4 | 119.6° | 119.1° |
| C22 | N7 | C1 | 125.4° | 126.3° |
| N7 | C22 | C23 | 109.5° | 110.6° |
| N7 | C22 | H42 | 109.9° | 110.5° |
| N7 | C1 | N4 | 132.7° | 134.9° |
| C2 | N2 | C6 | 120.5° | 121.2° |
| C22 | C23 | C24 | 105.4° | 102.1° |
| C22 | C23 | O3 | 109.3° | 110.9° |
| C23 | C22 | H42 | 109.4° | 110.5° |
| C22 | C23 | H43 | 110.1° | 110.9° |
| C1 | N4 | C6 | 120.1° | 120.7° |
| N2 | C6 | N4 | 121.5° | 122.4° |
| N2 | C6 | H8 | 119.3° | 118.8° |
| C23 | C24 | O2 | 110.1° | 110.5° |
| C24 | C23 | O3 | 110.1° | 110.9° |
| C24 | C23 | H43 | 110.3° | 110.9° |
| C23 | C24 | H44 | 110.0° | 110.5° |
| C24 | O2 | H3 | 109.5° | 114.0° |
| O2 | C24 | H44 | 111.3° | 110.4° |
| N4 | C6 | H8 | 119.2° | 118.8° |
| C23 | O3 | H12 | 109.5° | 114.0° |
| O3 | C23 | H43 | 111.5° | 110.9° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H9 | N3 | H10 | 109.5° | 111.0° |
| H13 | C7 | H14 | 109.4° | 109.5° |
| H15 | N5 | H16 | 109.5° | 120.0° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H28 | C15 | H29 | 109.4° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.4° |
| H35 | C20 | H37 | 109.4° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H40 | 109.4° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.4° |
| P1 | O13 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C19 | O8 | 40.9° | 60.0° |
| C20 | C18 | C17 | C19 | 119.8° | 120.0° |
| C20 | C18 | C17 | C21 | 120.4° | 120.0° |
| C20 | C18 | C19 | C21 | 118.7° | 120.1° |
| C20 | C18 | C17 | C16 | 77.3° | 61.9° |
| C20 | C18 | C17 | O10 | 162.7° | 178.1° |
| C20 | C18 | C17 | H31 | 43.3° | 58.1° |
| C20 | C18 | C19 | H33 | 160.9° | 59.9° |
| C20 | C18 | C19 | H34 | 79.1° | 180.0° |
| C18 | C20 | H35 | H36 | 120.0° | 119.9° |
| C18 | C20 | H35 | H37 | 120.0° | 120.1° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| C20 | C18 | C21 | H38 | 180.0° | 180.0° |
| C20 | C18 | C21 | H39 | 60.0° | 60.0° |
| C20 | C18 | C21 | H40 | 60.0° | 59.9° |
| O6 | P1 | O8 | O1 | 130.6° | 120.1° |
| O6 | P1 | O8 | O13 | 114.1° | 120.0° |
| O6 | P1 | O8 | C19 | 141.6° | 65.0° |
| O6 | P1 | O1 | O13 | 123.4° | 120.0° |
| O6 | P1 | O13 | H1 | 130.4° | 60.0° |
| O9 | C16 | C17 | C18 | 68.0° | 67.3° |
| O9 | C16 | C17 | N9 | 178.9° | 179.9° |
| O9 | C16 | C17 | O10 | 171.9° | 172.7° |
| O9 | C16 | N9 | C15 | 1.1° | 5.2° |
| O9 | C16 | N9 | H30 | 179.0° | 174.8° |
| O9 | C16 | C17 | H31 | 52.3° | 52.8° |
| P1 | O8 | C19 | C18 | 147.6° | 180.0° |
| O8 | P1 | O1 | O13 | 112.9° | 119.9° |
| O8 | P1 | O6 | H24 | 180.0° | 60.0° |
| P1 | O8 | C19 | H33 | 27.6° | 60.0° |
| P1 | O8 | C19 | H34 | 92.4° | 60.0° |
| O8 | P1 | O13 | H1 | 115.2° | 180.0° |
| O8 | C19 | C18 | C17 | 80.1° | 180.0° |
| O8 | C19 | C18 | H33 | 120.0° | 120.0° |
| O8 | C19 | C18 | H34 | 120.0° | 120.0° |
| O8 | C19 | C18 | C21 | 159.6° | 60.0° |
| C19 | O8 | P1 | O1 | 11.0° | 55.1° |
| O8 | C19 | H33 | H34 | 120.0° | 120.0° |
| C19 | O8 | P1 | O13 | 104.4° | 175.0° |
| C17 | C18 | C19 | C21 | 120.4° | 120.0° |
| C18 | C17 | C16 | O10 | 120.1° | 120.0° |
| C18 | C17 | C16 | H31 | 120.3° | 120.0° |
| C18 | C17 | C16 | N9 | 113.0° | 112.6° |
| C18 | C17 | O10 | H31 | 118.7° | 120.0° |
| C18 | C17 | O10 | H32 | 180.0° | 60.0° |
| C17 | C18 | C19 | H33 | 39.9° | 60.0° |
| C17 | C18 | C19 | H34 | 160.0° | 60.0° |
| C17 | C18 | C20 | H35 | 180.0° | 68.1° |
| C17 | C18 | C20 | H36 | 60.0° | 172.0° |
| C17 | C18 | C20 | H37 | 60.0° | 52.0° |
| C17 | C18 | C21 | H38 | 58.4° | 60.0° |
| C17 | C18 | C21 | H39 | 178.5° | 180.0° |
| C17 | C18 | C21 | H40 | 61.6° | 60.0° |
| C19 | C18 | C17 | C16 | 162.9° | 178.1° |
| C19 | C18 | C17 | O10 | 42.9° | 58.1° |
| C19 | C18 | C17 | H31 | 76.6° | 61.9° |
| C18 | C19 | H33 | H34 | 120.0° | 120.0° |
| C19 | C18 | C20 | H35 | 60.2° | 171.9° |
| C19 | C18 | C20 | H36 | 59.8° | 52.0° |
| C19 | C18 | C20 | H37 | 179.8° | 68.0° |
| C19 | C18 | C21 | H38 | 61.2° | 60.0° |
| C19 | C18 | C21 | H39 | 58.9° | 60.0° |
| C19 | C18 | C21 | H40 | 178.8° | 180.0° |
| C21 | C18 | C17 | C16 | 43.1° | 58.1° |
| C21 | C18 | C17 | O10 | 76.9° | 61.9° |
| C21 | C18 | C17 | H31 | 163.6° | 178.1° |
| C21 | C18 | C19 | H33 | 80.4° | 180.0° |
| C21 | C18 | C19 | H34 | 39.6° | 60.0° |
| C21 | C18 | C20 | H35 | 58.8° | 51.9° |
| C21 | C18 | C20 | H36 | 178.8° | 68.1° |
| C21 | C18 | C20 | H37 | 61.2° | 171.9° |
| C18 | C21 | H38 | H39 | 120.0° | 120.0° |
| C18 | C21 | H38 | H40 | 120.0° | 120.1° |
| C18 | C21 | H39 | H40 | 120.0° | 120.0° |
| O1 | P1 | O6 | H24 | 56.1° | 180.0° |
| O1 | P1 | O13 | H1 | 0.0° | 60.0° |
| C16 | C17 | O10 | H31 | 118.9° | 119.9° |
| C17 | C16 | N9 | C15 | 180.0° | 174.9° |
| C17 | C16 | N9 | H30 | 0.0° | 5.1° |
| C16 | C17 | O10 | H32 | 57.6° | 60.1° |
| N9 | C16 | C17 | O10 | 7.1° | 7.4° |
| C16 | N9 | C15 | H30 | 180.0° | 180.0° |
| C16 | N9 | C15 | C14 | 155.9° | 180.0° |
| C16 | N9 | C15 | H28 | 84.7° | 60.0° |
| C16 | N9 | C15 | H29 | 36.5° | 60.0° |
| N9 | C16 | C17 | H31 | 126.6° | 127.3° |
| N9 | C15 | C14 | H28 | 119.4° | 120.0° |
| N9 | C15 | C14 | H29 | 119.3° | 120.0° |
| N9 | C15 | C14 | C13 | 178.5° | 180.0° |
| N9 | C15 | C14 | H26 | 58.4° | 60.0° |
| N9 | C15 | C14 | H27 | 61.4° | 60.0° |
| N9 | C15 | H28 | H29 | 121.9° | 120.0° |
| C15 | C14 | C13 | O7 | 4.0° | 0.0° |
| C15 | C14 | C13 | H26 | 120.1° | 120.0° |
| C15 | C14 | C13 | H27 | 120.1° | 120.0° |
| C15 | C14 | C13 | N8 | 175.8° | 180.0° |
| C15 | C14 | H26 | H27 | 119.7° | 119.9° |
| C14 | C15 | H28 | H29 | 121.9° | 119.9° |
| C14 | C15 | N9 | H30 | 24.1° | 0.0° |
| O7 | C13 | C14 | N8 | 179.8° | 180.0° |
| O7 | C13 | N8 | C12 | 0.4° | 0.0° |
| O7 | C13 | N8 | H25 | 179.6° | 180.0° |
| O7 | C13 | C14 | H26 | 124.1° | 120.0° |
| O7 | C13 | C14 | H27 | 116.1° | 120.0° |
| C14 | C13 | N8 | C12 | 179.8° | 180.0° |
| C14 | C13 | N8 | H25 | 0.2° | 0.0° |
| C13 | C14 | H26 | H27 | 119.7° | 120.1° |
| C13 | C14 | C15 | H28 | 62.1° | 60.0° |
| C13 | C14 | C15 | H29 | 59.1° | 60.0° |
| C13 | N8 | C12 | H25 | 180.0° | 180.0° |
| C13 | N8 | C12 | C11 | 93.3° | 180.0° |
| C13 | N8 | C12 | H22 | 26.0° | 60.0° |
| C13 | N8 | C12 | H23 | 147.4° | 60.0° |
| N8 | C13 | C14 | H26 | 55.7° | 60.0° |
| N8 | C13 | C14 | H27 | 64.1° | 60.0° |
| N8 | C12 | C11 | H22 | 119.3° | 120.0° |
| N8 | C12 | C11 | H23 | 119.3° | 120.0° |
| N8 | C12 | C11 | S2 | 125.3° | 180.0° |
| N8 | C12 | C11 | H20 | 4.9° | 60.0° |
| N8 | C12 | C11 | H21 | 114.3° | 60.0° |
| N8 | C12 | H22 | H23 | 122.1° | 120.0° |
| C12 | C11 | S2 | H20 | 120.4° | 120.0° |
| C12 | C11 | S2 | H21 | 120.4° | 120.0° |
| C12 | C11 | S2 | C4 | 62.6° | 175.3° |
| C12 | C11 | H20 | H21 | 118.7° | 120.1° |
| C11 | C12 | H22 | H23 | 122.1° | 120.1° |
| C11 | C12 | N8 | H25 | 86.7° | 0.0° |
| C11 | S2 | C4 | C9 | 79.9° | 66.7° |
| C11 | S2 | C4 | C5 | 154.3° | 173.4° |
| C11 | S2 | C4 | H4 | 37.2° | 53.4° |
| S2 | C11 | H20 | H21 | 118.7° | 120.0° |
| S2 | C11 | C12 | H22 | 115.4° | 60.0° |
| S2 | C11 | C12 | H23 | 6.0° | 60.0° |
| S2 | C4 | C9 | C5 | 125.7° | 120.0° |
| S2 | C4 | C9 | H4 | 115.6° | 120.1° |
| S2 | C4 | C5 | H4 | 115.7° | 120.0° |
| S2 | C4 | C9 | C10 | 19.3° | 58.0° |
| S2 | C4 | C9 | N3 | 144.8° | 178.0° |
| S2 | C4 | C5 | S1 | 25.0° | 60.0° |
| S2 | C4 | C5 | H6 | 95.9° | 60.0° |
| S2 | C4 | C5 | H7 | 145.9° | 180.0° |
| S2 | C4 | C9 | H17 | 100.1° | 62.0° |
| C4 | S2 | C11 | H20 | 176.9° | 64.7° |
| C4 | S2 | C11 | H21 | 57.8° | 55.3° |
| C9 | C4 | C5 | H4 | 118.6° | 120.0° |
| C4 | C9 | C10 | N3 | 124.3° | 120.0° |
| C4 | C9 | C10 | H17 | 119.3° | 120.0° |
| C4 | C9 | N3 | H17 | 114.6° | 120.0° |
| C4 | C9 | C10 | O11 | 166.1° | 174.2° |
| C9 | C4 | C5 | S1 | 150.7° | 180.0° |
| C9 | C4 | C5 | H6 | 29.8° | 60.0° |
| C9 | C4 | C5 | H7 | 88.4° | 60.0° |
| C4 | C9 | N3 | H9 | 180.0° | 63.9° |
| C4 | C9 | N3 | H10 | 60.0° | 60.0° |
| C4 | C9 | C10 | H18 | 74.6° | 65.8° |
| C4 | C9 | C10 | H19 | 46.7° | 54.2° |
| C5 | C4 | C9 | C10 | 106.4° | 62.0° |
| C5 | C4 | C9 | N3 | 19.1° | 58.0° |
| C4 | C5 | S1 | O4 | 52.0° | 68.4° |
| C4 | C5 | S1 | H6 | 120.9° | 120.0° |
| C4 | C5 | S1 | H7 | 120.9° | 120.0° |
| C4 | C5 | S1 | N1 | 69.8° | 180.0° |
| C4 | C5 | S1 | O5 | 172.5° | 68.4° |
| C4 | C5 | H6 | H7 | 117.1° | 120.0° |
| C5 | C4 | C9 | H17 | 134.2° | 178.0° |
| C10 | C9 | N3 | H17 | 116.1° | 120.0° |
| C9 | C10 | O11 | H18 | 119.3° | 120.0° |
| C9 | C10 | O11 | H19 | 119.4° | 120.0° |
| C10 | C9 | C4 | H4 | 135.0° | 178.0° |
| C10 | C9 | N3 | H9 | 50.7° | 176.0° |
| C10 | C9 | N3 | H10 | 170.7° | 60.0° |
| C9 | C10 | H18 | H19 | 122.0° | 120.0° |
| C9 | C10 | O11 | H41 | 180.0° | 179.9° |
| N3 | C9 | C10 | O11 | 69.6° | 65.8° |
| N3 | C9 | C4 | H4 | 99.5° | 61.9° |
| C9 | N3 | H9 | H10 | 120.0° | 124.0° |
| N3 | C9 | C10 | H18 | 49.7° | 54.2° |
| N3 | C9 | C10 | H19 | 171.1° | 174.3° |
| O11 | C10 | C9 | H17 | 46.8° | 54.2° |
| O11 | C10 | H18 | H19 | 121.9° | 120.0° |
| O4 | S1 | C5 | N1 | 121.8° | 111.6° |
| O4 | S1 | C5 | O5 | 120.4° | 136.8° |
| O4 | S1 | N1 | O5 | 117.7° | 128.0° |
| O4 | S1 | N1 | C7 | 164.0° | 178.9° |
| O4 | S1 | N1 | H5 | 44.2° | 1.0° |
| O4 | S1 | C5 | H6 | 173.0° | 51.5° |
| O4 | S1 | C5 | H7 | 68.9° | 171.6° |
| C5 | S1 | N1 | O5 | 118.5° | 116.0° |
| C5 | S1 | N1 | C7 | 72.1° | 65.0° |
| S1 | C5 | C4 | H4 | 90.7° | 60.0° |
| C5 | S1 | N1 | H5 | 168.0° | 115.0° |
| S1 | C5 | H6 | H7 | 117.1° | 120.1° |
| S1 | N1 | C7 | H5 | 119.8° | 180.0° |
| S1 | N1 | C7 | C25 | 157.6° | 165.0° |
| N1 | S1 | C5 | H6 | 51.1° | 60.0° |
| N1 | S1 | C5 | H7 | 169.3° | 60.0° |
| S1 | N1 | C7 | H13 | 82.5° | 75.0° |
| S1 | N1 | C7 | H14 | 37.7° | 45.0° |
| O5 | S1 | N1 | C7 | 46.3° | 51.0° |
| O5 | S1 | N1 | H5 | 73.5° | 129.0° |
| O5 | S1 | C5 | H6 | 66.6° | 171.6° |
| O5 | S1 | C5 | H7 | 51.6° | 51.6° |
| N1 | C7 | C25 | H13 | 119.9° | 119.9° |
| N1 | C7 | C25 | H14 | 119.9° | 120.0° |
| N1 | C7 | C25 | O12 | 58.3° | 67.1° |
| N1 | C7 | C25 | C24 | 177.6° | 175.0° |
| N1 | C7 | H13 | H14 | 120.3° | 120.0° |
| N1 | C7 | C25 | H45 | 62.2° | 54.0° |
| C7 | C25 | O12 | C24 | 122.6° | 119.4° |
| C7 | C25 | O12 | H45 | 119.7° | 121.1° |
| C7 | C25 | O12 | C22 | 138.7° | 145.9° |
| C7 | C25 | C24 | H45 | 120.2° | 121.0° |
| C7 | C25 | C24 | C23 | 143.2° | 121.5° |
| C7 | C25 | C24 | O2 | 98.2° | 119.9° |
| C25 | C7 | N1 | H5 | 37.8° | 15.0° |
| C25 | C7 | H13 | H14 | 120.3° | 120.0° |
| C7 | C25 | C24 | H44 | 25.1° | 2.7° |
| N6 | C3 | N7 | H2 | 180.0° | 180.0° |
| C3 | N6 | C8 | C2 | 179.9° | 180.0° |
| C3 | N6 | C8 | C1 | 0.1° | 0.1° |
| N6 | C3 | N7 | C22 | 179.9° | 180.0° |
| N6 | C3 | N7 | C1 | 0.2° | 0.4° |
| C8 | N6 | C3 | N7 | 0.2° | 0.2° |
| N6 | C8 | C2 | N5 | 0.0° | 0.0° |
| N6 | C8 | C2 | C1 | 180.0° | 180.0° |
| N6 | C8 | C1 | N7 | 0.0° | 0.3° |
| N6 | C8 | C2 | N2 | 180.0° | 180.0° |
| N6 | C8 | C1 | N4 | 179.9° | 180.0° |
| C8 | N6 | C3 | H2 | 179.7° | 179.8° |
| C3 | N7 | C22 | O12 | 25.3° | 19.1° |
| C3 | N7 | C1 | C8 | 0.2° | 0.4° |
| C3 | N7 | C22 | C1 | 179.6° | 179.6° |
| C3 | N7 | C22 | C23 | 92.5° | 95.0° |
| C3 | N7 | C1 | N4 | 180.0° | 180.0° |
| C3 | N7 | C22 | H42 | 147.3° | 142.2° |
| O12 | C25 | C24 | H45 | 118.5° | 119.6° |
| C25 | O12 | C22 | N7 | 122.5° | 158.6° |
| C25 | O12 | C22 | C23 | 3.4° | 40.1° |
| O12 | C25 | C24 | C23 | 21.9° | 2.0° |
| O12 | C25 | C24 | O2 | 140.5° | 120.7° |
| O12 | C25 | C7 | H13 | 61.6° | 52.8° |
| O12 | C25 | C7 | H14 | 178.2° | 172.8° |
| C25 | O12 | C22 | H42 | 116.0° | 78.5° |
| O12 | C25 | C24 | H44 | 96.2° | 116.7° |
| C22 | O12 | C25 | C24 | 16.1° | 26.5° |
| O12 | C22 | N7 | C23 | 117.8° | 114.1° |
| O12 | C22 | N7 | H42 | 122.0° | 123.1° |
| O12 | C22 | N7 | C1 | 155.0° | 161.4° |
| O12 | C22 | C23 | H42 | 120.3° | 118.7° |
| O12 | C22 | C23 | C24 | 10.5° | 37.0° |
| O12 | C22 | C23 | O3 | 107.8° | 155.2° |
| O12 | C22 | C23 | H43 | 129.5° | 81.2° |
| C22 | O12 | C25 | H45 | 101.7° | 93.0° |
| N5 | C2 | C8 | N2 | 180.0° | 179.9° |
| N5 | C2 | C8 | C1 | 180.0° | 179.9° |
| N5 | C2 | N2 | C6 | 180.0° | 180.0° |
| C2 | N5 | H15 | H16 | 120.0° | 179.9° |
| C25 | C24 | C23 | C22 | 19.5° | 20.9° |
| C25 | C24 | C23 | O2 | 118.9° | 118.7° |
| C25 | C24 | C23 | H44 | 118.1° | 118.8° |
| C25 | C24 | O2 | H44 | 122.6° | 122.7° |
| C25 | C24 | C23 | O3 | 98.3° | 139.1° |
| C25 | C24 | O2 | H3 | 180.0° | 176.2° |
| C24 | C25 | C7 | H13 | 57.7° | 65.0° |
| C24 | C25 | C7 | H14 | 62.5° | 55.0° |
| C25 | C24 | C23 | H43 | 138.3° | 97.3° |
| C2 | C8 | C1 | N7 | 180.0° | 179.7° |
| C2 | C8 | C1 | N4 | 0.1° | 0.0° |
| C8 | C2 | N2 | C6 | 0.1° | 0.0° |
| C8 | C2 | N5 | H15 | 180.0° | 180.0° |
| C8 | C2 | N5 | H16 | 59.9° | 0.1° |
| C8 | C1 | N7 | C22 | 179.9° | 180.0° |
| C8 | C1 | N7 | N4 | 179.8° | 179.6° |
| C1 | C8 | C2 | N2 | 0.0° | 0.0° |
| C8 | C1 | N4 | C6 | 0.2° | 0.0° |
| N7 | C22 | C23 | H42 | 120.5° | 122.8° |
| C22 | N7 | C1 | N4 | 0.3° | 0.3° |
| N7 | C22 | C23 | C24 | 108.7° | 155.5° |
| N7 | C22 | C23 | O3 | 133.0° | 86.3° |
| C22 | N7 | C3 | H2 | 0.0° | 0.0° |
| N7 | C22 | C23 | H43 | 10.2° | 37.4° |
| C1 | N7 | C22 | C23 | 87.1° | 84.5° |
| N7 | C1 | N4 | C6 | 179.9° | 179.6° |
| C1 | N7 | C3 | H2 | 179.7° | 179.6° |
| C1 | N7 | C22 | H42 | 33.1° | 38.3° |
| C2 | N2 | C6 | N4 | 0.2° | 0.0° |
| C2 | N2 | C6 | H8 | 179.8° | 180.0° |
| N2 | C2 | N5 | H15 | 0.0° | 0.1° |
| N2 | C2 | N5 | H16 | 120.0° | 180.0° |
| C22 | C23 | C24 | O3 | 117.8° | 118.2° |
| C22 | C23 | C24 | H43 | 118.8° | 118.1° |
| C22 | C23 | C24 | O2 | 138.4° | 97.8° |
| C22 | C23 | O3 | H43 | 122.0° | 123.6° |
| C22 | C23 | O3 | H12 | 180.0° | 180.0° |
| C22 | C23 | C24 | H44 | 98.6° | 139.7° |
| C1 | N4 | C6 | N2 | 0.3° | 0.0° |
| C1 | N4 | C6 | H8 | 179.7° | 180.0° |
| N2 | C6 | N4 | H8 | 180.0° | 180.0° |
| C23 | C24 | O2 | H44 | 122.3° | 122.5° |
| C24 | C23 | O3 | H43 | 122.7° | 123.7° |
| C23 | C24 | O2 | H3 | 64.8° | 61.4° |
| C24 | C23 | O3 | H12 | 64.6° | 67.3° |
| C24 | C23 | C22 | H42 | 130.8° | 81.7° |
| C23 | C24 | C25 | H45 | 96.6° | 117.5° |
| O2 | C24 | C23 | O3 | 20.6° | 20.4° |
| O2 | C24 | C23 | H43 | 102.8° | 144.0° |
| O2 | C24 | C25 | H45 | 22.0° | 1.1° |
| O3 | C23 | C22 | H42 | 12.5° | 36.5° |
| O3 | C23 | C24 | H44 | 143.6° | 102.1° |
| H3 | O2 | C24 | H44 | 57.4° | 61.1° |
| H4 | C4 | C5 | H6 | 148.4° | 180.0° |
| H4 | C4 | C5 | H7 | 30.2° | 60.0° |
| H4 | C4 | C9 | H17 | 15.6° | 58.0° |
| H5 | N1 | C7 | H13 | 157.7° | 105.0° |
| H5 | N1 | C7 | H14 | 82.2° | 135.0° |
| H9 | N3 | C9 | H17 | 65.4° | 56.0° |
| H10 | N3 | C9 | H17 | 54.6° | 180.0° |
| H12 | O3 | C23 | H43 | 58.0° | 56.4° |
| H13 | C7 | C25 | H45 | 177.9° | 174.0° |
| H14 | C7 | C25 | H45 | 57.8° | 66.0° |
| H17 | C9 | C10 | H18 | 166.1° | 174.2° |
| H17 | C9 | C10 | H19 | 72.6° | 65.8° |
| H18 | C10 | O11 | H41 | 60.7° | 60.0° |
| H19 | C10 | O11 | H41 | 60.7° | 60.1° |
| H20 | C11 | C12 | H22 | 124.2° | 180.0° |
| H20 | C11 | C12 | H23 | 114.4° | 60.0° |
| H21 | C11 | C12 | H22 | 5.0° | 60.0° |
| H21 | C11 | C12 | H23 | 126.4° | NaN° |
| H22 | C12 | N8 | H25 | 154.0° | 120.0° |
| H23 | C12 | N8 | H25 | 32.6° | 120.0° |
| H24 | O6 | P1 | O13 | 67.8° | 60.0° |
| H26 | C14 | C15 | H28 | 177.8° | 180.0° |
| H26 | C14 | C15 | H29 | 60.9° | 60.1° |
| H27 | C14 | C15 | H28 | 58.0° | 60.0° |
| H27 | C14 | C15 | H29 | 179.3° | 180.0° |
| H28 | C15 | N9 | H30 | 95.3° | 120.0° |
| H29 | C15 | N9 | H30 | 143.5° | 120.0° |
| H31 | C17 | O10 | H32 | 61.3° | 180.0° |
| H35 | C20 | H36 | H37 | 119.9° | 120.0° |
| H38 | C21 | H39 | H40 | 120.0° | 120.0° |
| H42 | C22 | C23 | H43 | 110.3° | 160.1° |
| H43 | C23 | C24 | H44 | 20.2° | 21.5° |
| H44 | C24 | C25 | H45 | 145.3° | 123.7° |
