IVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C12 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| O3 | C2 | sing | 1.43Å | 1.42Å | |
| O5 | P1 | doub | 1.48Å | 1.53Å | |
| C6 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C12 | N5 | sing | 1.38Å | 1.34Å | |
| C12 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C4 | sing | 1.55Å | 1.53Å | |
| C2 | C1 | sing | 1.55Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | O1 | sing | 1.44Å | 1.42Å | |
| C8 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| O9 | P1 | sing | 1.61Å | 1.50Å | |
| N1 | C7 | sing | 1.36Å | 1.37Å | Aromatic |
| P1 | O2 | sing | 1.61Å | 1.61Å | |
| P1 | O6 | sing | 1.61Å | 1.53Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C1 | C3 | sing | 1.54Å | 1.52Å | |
| O1 | C3 | sing | 1.44Å | 1.44Å | |
| N2 | C7 | doub | 1.30Å | 1.31Å | Aromatic |
| C3 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O4 | sing | 1.43Å | 1.44Å | |
| O4 | P2 | sing | 1.61Å | 1.60Å | |
| O10 | P2 | doub | 1.48Å | 1.53Å | |
| P2 | O7 | sing | 1.61Å | 1.59Å | |
| P2 | O12 | sing | 1.61Å | 1.48Å | |
| O7 | P3 | sing | 1.61Å | 1.59Å | |
| P3 | O13 | doub | 1.48Å | 1.52Å | |
| P3 | O14 | sing | 1.61Å | 1.48Å | |
| P3 | O8 | sing | 1.61Å | 1.59Å | |
| O8 | C11 | sing | 1.43Å | 1.43Å | |
| C13 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C14 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | O11 | sing | 1.43Å | 1.42Å | |
| C10 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | O15 | doub | 1.21Å | 1.23Å | |
| C16 | N6 | sing | 1.35Å | 1.33Å | |
| N6 | C17 | sing | 1.46Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| O16 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | C20 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | C22 | sing | 1.71Å | 1.76Å | |
| O17 | C22 | doub | 1.21Å | 1.20Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.51Å | |
| O9 | H1 | sing | 0.97Å | 0.95Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| N5 | H9 | sing | 0.97Å | 1.00Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| O12 | H14 | sing | 0.97Å | 0.95Å | |
| O14 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| O11 | H25 | sing | 0.97Å | 0.95Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| C25 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C15 | N3 | 128.9° | 122.5° |
| C15 | N4 | C12 | 118.7° | 121.2° |
| N4 | C15 | H8 | 115.6° | 118.8° |
| C15 | N3 | C6 | 111.0° | 120.6° |
| N3 | C15 | H8 | 115.5° | 118.7° |
| N4 | C12 | N5 | 118.5° | 120.8° |
| N4 | C12 | C8 | 117.7° | 118.4° |
| N3 | C6 | C8 | 126.7° | 119.1° |
| N3 | C6 | N1 | 127.5° | 134.9° |
| O3 | C2 | C4 | 110.8° | 110.9° |
| O3 | C2 | C1 | 110.4° | 110.9° |
| O3 | C2 | H4 | 112.5° | 110.9° |
| C2 | O3 | H5 | 109.5° | 114.1° |
| O5 | P1 | O9 | 113.1° | 109.4° |
| O5 | P1 | O2 | 105.6° | 109.5° |
| O5 | P1 | O6 | 108.5° | 109.4° |
| C8 | C6 | N1 | 105.8° | 106.0° |
| C6 | C8 | C12 | 117.0° | 118.2° |
| C6 | C8 | N2 | 110.7° | 107.2° |
| C6 | N1 | C4 | 127.5° | 126.3° |
| C6 | N1 | C7 | 105.7° | 107.5° |
| N5 | C12 | C8 | 123.8° | 120.8° |
| C12 | N5 | H9 | 109.5° | 120.0° |
| C12 | N5 | H10 | 109.5° | 120.0° |
| C12 | C8 | N2 | 132.3° | 134.6° |
| C4 | C2 | C1 | 100.9° | 102.1° |
| C2 | C4 | N1 | 114.8° | 110.6° |
| C2 | C4 | O1 | 107.4° | 103.5° |
| C4 | C2 | H4 | 110.8° | 110.9° |
| C2 | C4 | H6 | 107.9° | 110.6° |
| C2 | C1 | O2 | 110.7° | 110.5° |
| C2 | C1 | C3 | 103.1° | 104.2° |
| C2 | C1 | H3 | 112.0° | 110.6° |
| C1 | C2 | H4 | 110.9° | 110.9° |
| N1 | C4 | O1 | 108.3° | 110.7° |
| C4 | N1 | C7 | 126.8° | 126.2° |
| N1 | C4 | H6 | 108.9° | 110.5° |
| C4 | O1 | C3 | 110.3° | 107.0° |
| O1 | C4 | H6 | 109.5° | 110.7° |
| C8 | N2 | C7 | 103.7° | 109.4° |
| O9 | P1 | O2 | 110.5° | 109.5° |
| O9 | P1 | O6 | 112.7° | 109.5° |
| P1 | O9 | H1 | 109.5° | 114.0° |
| N1 | C7 | N2 | 114.1° | 110.0° |
| N1 | C7 | H7 | 122.9° | 125.0° |
| O2 | P1 | O6 | 106.0° | 109.5° |
| P1 | O2 | C1 | 127.5° | 123.0° |
| P1 | O6 | H2 | 109.5° | 114.0° |
| O2 | C1 | C3 | 105.0° | 110.5° |
| O2 | C1 | H3 | 113.3° | 110.4° |
| C1 | C3 | O1 | 105.1° | 107.3° |
| C1 | C3 | C5 | 115.1° | 109.9° |
| C3 | C1 | H3 | 112.0° | 110.5° |
| C1 | C3 | H11 | 108.6° | 109.9° |
| O1 | C3 | C5 | 109.6° | 109.9° |
| O1 | C3 | H11 | 109.7° | 109.9° |
| N2 | C7 | H7 | 122.9° | 125.0° |
| C3 | C5 | O4 | 109.3° | 109.5° |
| C5 | C3 | H11 | 108.8° | 110.0° |
| C3 | C5 | H12 | 109.5° | 109.5° |
| C3 | C5 | H13 | 109.5° | 109.5° |
| C5 | O4 | P2 | 121.7° | 123.0° |
| O4 | C5 | H12 | 109.5° | 109.4° |
| O4 | C5 | H13 | 109.5° | 109.4° |
| O4 | P2 | O10 | 108.1° | 109.5° |
| O4 | P2 | O7 | 107.7° | 109.5° |
| O4 | P2 | O12 | 113.8° | 109.5° |
| O10 | P2 | O7 | 107.8° | 109.5° |
| O10 | P2 | O12 | 109.7° | 109.5° |
| O7 | P2 | O12 | 109.6° | 109.5° |
| P2 | O7 | P3 | 132.1° | 134.0° |
| P2 | O12 | H14 | 109.5° | 114.0° |
| O7 | P3 | O13 | 107.9° | 109.5° |
| O7 | P3 | O14 | 110.0° | 109.5° |
| O7 | P3 | O8 | 107.9° | 109.4° |
| O13 | P3 | O14 | 110.0° | 109.5° |
| O13 | P3 | O8 | 107.6° | 109.5° |
| O14 | P3 | O8 | 113.2° | 109.5° |
| P3 | O14 | H15 | 109.5° | 114.0° |
| P3 | O8 | C11 | 118.7° | 123.0° |
| O8 | C11 | C9 | 110.3° | 109.4° |
| O8 | C11 | H16 | 109.3° | 109.5° |
| O8 | C11 | H17 | 109.3° | 109.5° |
| C13 | C9 | C11 | 108.5° | 109.5° |
| C13 | C9 | C14 | 109.2° | 109.5° |
| C13 | C9 | C10 | 109.6° | 109.5° |
| C9 | C13 | H18 | 109.5° | 109.5° |
| C9 | C13 | H19 | 109.4° | 109.5° |
| C9 | C13 | H20 | 109.5° | 109.5° |
| C11 | C9 | C14 | 108.5° | 109.5° |
| C11 | C9 | C10 | 111.4° | 109.4° |
| C9 | C11 | H16 | 109.3° | 109.4° |
| C9 | C11 | H17 | 109.3° | 109.5° |
| C14 | C9 | C10 | 109.7° | 109.5° |
| C9 | C14 | H21 | 109.5° | 109.5° |
| C9 | C14 | H22 | 109.5° | 109.5° |
| C9 | C14 | H23 | 109.5° | 109.5° |
| C9 | C10 | O11 | 108.8° | 109.5° |
| C9 | C10 | C16 | 112.3° | 109.5° |
| C9 | C10 | H24 | 107.9° | 109.4° |
| O11 | C10 | C16 | 109.8° | 109.4° |
| O11 | C10 | H24 | 109.7° | 109.4° |
| C10 | O11 | H25 | 109.5° | 114.0° |
| C10 | C16 | O15 | 120.4° | 120.0° |
| C10 | C16 | N6 | 116.5° | 120.0° |
| C16 | C10 | H24 | 108.3° | 109.5° |
| O15 | C16 | N6 | 123.1° | 120.0° |
| C16 | N6 | C17 | 122.6° | 120.0° |
| C16 | N6 | H26 | 118.7° | 120.0° |
| N6 | C17 | C18 | 111.6° | 109.5° |
| C17 | N6 | H26 | 118.7° | 120.0° |
| N6 | C17 | H27 | 108.9° | 109.5° |
| N6 | C17 | H28 | 108.9° | 109.5° |
| C17 | C18 | C19 | 111.9° | 109.5° |
| C18 | C17 | H27 | 109.0° | 109.4° |
| C18 | C17 | H28 | 108.9° | 109.4° |
| C17 | C18 | H29 | 108.8° | 109.4° |
| C17 | C18 | H30 | 108.9° | 109.4° |
| C18 | C19 | O16 | 121.4° | 120.0° |
| C18 | C19 | N7 | 116.1° | 120.0° |
| C19 | C18 | H29 | 108.9° | 109.5° |
| C19 | C18 | H30 | 108.9° | 109.5° |
| O16 | C19 | N7 | 122.5° | 120.0° |
| C19 | N7 | C20 | 122.2° | 120.0° |
| C19 | N7 | H31 | 118.9° | 120.0° |
| N7 | C20 | C21 | 112.4° | 109.5° |
| C20 | N7 | H31 | 118.9° | 120.0° |
| N7 | C20 | H32 | 108.8° | 109.5° |
| N7 | C20 | H33 | 108.8° | 109.4° |
| C20 | C21 | S1 | 109.5° | 109.5° |
| C21 | C20 | H32 | 108.7° | 109.5° |
| C21 | C20 | H33 | 108.7° | 109.5° |
| C20 | C21 | H34 | 109.5° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C21 | S1 | C22 | 101.7° | 100.0° |
| S1 | C21 | H34 | 109.5° | 109.4° |
| S1 | C21 | H35 | 109.5° | 109.5° |
| S1 | C22 | O17 | 123.2° | 120.0° |
| S1 | C22 | C23 | 113.2° | 120.0° |
| O17 | C22 | C23 | 123.6° | 120.0° |
| C22 | C23 | C24 | 113.6° | 109.5° |
| C22 | C23 | H36 | 108.4° | 109.5° |
| C22 | C23 | H37 | 108.4° | 109.5° |
| C23 | C24 | C25 | 112.6° | 109.4° |
| C23 | C24 | C26 | 109.2° | 109.5° |
| C24 | C23 | H36 | 108.4° | 109.5° |
| C24 | C23 | H37 | 108.4° | 109.5° |
| C23 | C24 | H38 | 108.6° | 109.5° |
| C25 | C24 | C26 | 108.9° | 109.5° |
| C25 | C24 | H38 | 108.7° | 109.5° |
| C24 | C25 | H39 | 109.5° | 109.5° |
| C24 | C25 | H40 | 109.5° | 109.4° |
| C24 | C25 | H41 | 109.5° | 109.5° |
| C26 | C24 | H38 | 108.7° | 109.5° |
| C24 | C26 | H42 | 109.5° | 109.4° |
| C24 | C26 | H43 | 109.5° | 109.4° |
| C24 | C26 | H44 | 109.4° | 109.4° |
| H9 | N5 | H10 | 109.5° | 120.0° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H18 | C13 | H20 | 109.4° | 109.5° |
| H19 | C13 | H20 | 109.5° | 109.5° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H21 | C14 | H23 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| H27 | C17 | H28 | 109.4° | 109.4° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| H32 | C20 | H33 | 109.4° | 109.5° |
| H34 | C21 | H35 | 109.5° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H39 | C25 | H40 | 109.5° | 109.5° |
| H39 | C25 | H41 | 109.5° | 109.5° |
| H40 | C25 | H41 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H44 | 109.5° | 109.5° |
| H43 | C26 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C15 | N3 | H8 | 180.0° | 179.8° |
| N4 | C15 | N3 | C6 | 0.1° | 0.0° |
| C15 | N4 | C12 | N5 | 179.8° | 180.0° |
| C15 | N4 | C12 | C8 | 0.0° | 0.4° |
| N3 | C15 | N4 | C12 | 0.1° | 0.2° |
| C15 | N3 | C6 | C8 | 0.0° | 0.1° |
| C15 | N3 | C6 | N1 | 179.6° | 179.5° |
| N4 | C12 | C8 | C6 | 0.1° | 0.4° |
| N4 | C12 | N5 | C8 | 179.8° | 179.5° |
| N4 | C12 | C8 | N2 | 179.9° | 179.9° |
| C12 | N4 | C15 | H8 | 179.9° | 179.9° |
| N4 | C12 | N5 | H9 | 0.0° | 0.1° |
| N4 | C12 | N5 | H10 | 120.0° | 180.0° |
| N3 | C6 | C8 | N1 | 179.6° | 179.7° |
| N3 | C6 | C8 | C12 | 0.1° | 0.1° |
| N3 | C6 | N1 | C4 | 1.5° | 0.3° |
| N3 | C6 | C8 | N2 | 179.9° | 179.9° |
| N3 | C6 | N1 | C7 | 180.0° | 180.0° |
| C6 | N3 | C15 | H8 | 179.9° | 179.8° |
| O3 | C2 | C4 | C1 | 117.0° | 118.2° |
| O3 | C2 | C4 | H4 | 125.5° | 123.7° |
| O3 | C2 | C1 | H4 | 125.3° | 123.6° |
| O3 | C2 | C4 | N1 | 151.1° | 86.2° |
| O3 | C2 | C4 | O1 | 88.4° | 155.2° |
| O3 | C2 | C1 | O2 | 30.1° | 20.4° |
| O3 | C2 | C1 | C3 | 81.7° | 139.0° |
| O3 | C2 | C1 | H3 | 157.7° | 102.2° |
| O3 | C2 | C4 | H6 | 29.5° | 36.5° |
| O5 | P1 | O9 | O2 | 118.1° | 120.0° |
| O5 | P1 | O9 | O6 | 123.5° | 119.9° |
| O5 | P1 | O2 | O6 | 115.0° | 120.0° |
| O5 | P1 | O2 | C1 | 96.4° | 55.0° |
| O5 | P1 | O9 | H1 | 0.0° | 180.0° |
| O5 | P1 | O6 | H2 | 0.0° | 60.0° |
| C6 | C8 | C12 | N5 | 179.7° | 179.9° |
| C6 | C8 | C12 | N2 | 179.8° | 179.7° |
| C8 | C6 | N1 | C4 | 178.1° | 179.9° |
| C8 | C6 | N1 | C7 | 0.4° | 0.4° |
| C6 | C8 | N2 | C7 | 0.1° | 0.3° |
| N1 | C6 | C8 | C12 | 179.5° | 179.8° |
| C6 | N1 | C4 | C2 | 77.2° | 84.7° |
| C6 | N1 | C4 | C7 | 178.1° | 179.7° |
| C6 | N1 | C4 | O1 | 162.9° | 161.2° |
| N1 | C6 | C8 | N2 | 0.3° | 0.4° |
| C6 | N1 | C7 | N2 | 0.3° | 0.2° |
| C6 | N1 | C4 | H6 | 43.9° | 38.1° |
| C6 | N1 | C7 | H7 | 179.7° | 179.7° |
| N5 | C12 | C8 | N2 | 0.1° | 0.3° |
| C12 | N5 | H9 | H10 | 120.0° | 179.9° |
| C12 | C8 | N2 | C7 | 179.7° | 180.0° |
| C8 | C12 | N5 | H9 | 179.9° | 179.6° |
| C8 | C12 | N5 | H10 | 59.8° | 0.5° |
| C4 | C2 | C1 | H4 | 117.5° | 118.2° |
| C2 | C4 | N1 | O1 | 120.0° | 114.2° |
| C2 | C4 | N1 | H6 | 121.1° | 122.8° |
| C2 | C4 | O1 | H6 | 116.9° | 118.5° |
| C2 | C4 | N1 | C7 | 104.7° | 95.0° |
| C4 | C2 | C1 | O2 | 147.4° | 97.8° |
| C4 | C2 | C1 | C3 | 35.5° | 20.9° |
| C2 | C4 | O1 | C3 | 9.8° | 40.0° |
| C4 | C2 | C1 | H3 | 85.1° | 139.6° |
| C4 | C2 | O3 | H5 | 168.0° | 61.5° |
| C1 | C2 | C4 | N1 | 91.9° | 155.6° |
| C1 | C2 | C4 | O1 | 28.6° | 37.0° |
| C2 | C1 | O2 | P1 | 66.3° | 125.2° |
| C2 | C1 | O2 | C3 | 110.6° | 114.8° |
| C2 | C1 | O2 | H3 | 126.8° | 122.7° |
| C2 | C1 | C3 | H3 | 120.6° | 118.8° |
| C2 | C1 | C3 | O1 | 31.1° | 2.0° |
| C2 | C1 | C3 | C5 | 151.8° | 121.4° |
| C1 | C2 | O3 | H5 | 57.1° | 174.1° |
| C1 | C2 | C4 | H6 | 146.5° | 81.6° |
| C2 | C1 | C3 | H11 | 86.1° | 117.4° |
| N1 | C4 | O1 | H6 | 118.6° | 122.9° |
| N1 | C4 | O1 | C3 | 114.7° | 158.6° |
| C4 | N1 | C7 | N2 | 178.2° | 180.0° |
| N1 | C4 | C2 | H4 | 25.6° | 37.4° |
| C4 | N1 | C7 | H7 | 1.8° | 0.0° |
| O1 | C4 | N1 | C7 | 15.3° | 19.1° |
| C4 | O1 | C3 | C1 | 13.5° | 26.5° |
| C4 | O1 | C3 | C5 | 137.6° | 145.9° |
| O1 | C4 | C2 | H4 | 146.1° | 81.2° |
| C4 | O1 | C3 | H11 | 103.0° | 93.0° |
| C8 | N2 | C7 | N1 | 0.1° | 0.0° |
| C8 | N2 | C7 | H7 | 179.9° | 179.9° |
| O9 | P1 | O2 | O6 | 122.4° | 120.0° |
| O9 | P1 | O2 | C1 | 26.2° | 65.0° |
| O9 | P1 | O6 | H2 | 126.0° | 60.0° |
| N1 | C7 | N2 | H7 | 180.0° | 179.9° |
| C7 | N1 | C4 | H6 | 134.2° | 142.2° |
| P1 | O2 | C1 | C3 | 176.9° | 120.0° |
| O2 | P1 | O9 | H1 | 118.1° | 60.0° |
| O2 | P1 | O6 | H2 | 113.0° | 180.0° |
| P1 | O2 | C1 | H3 | 60.6° | 2.5° |
| O6 | P1 | O2 | C1 | 148.6° | 175.0° |
| O6 | P1 | O9 | H1 | 123.5° | 60.0° |
| O2 | C1 | C3 | H3 | 123.4° | 122.5° |
| O2 | C1 | C3 | O1 | 147.1° | 120.7° |
| O2 | C1 | C3 | C5 | 92.2° | 119.8° |
| O2 | C1 | C2 | H4 | 95.2° | 144.0° |
| O2 | C1 | C3 | H11 | 29.9° | 1.3° |
| C1 | C3 | O1 | C5 | 124.2° | 119.4° |
| C1 | C3 | O1 | H11 | 116.5° | 119.4° |
| C1 | C3 | C5 | H11 | 122.0° | 121.1° |
| C1 | C3 | C5 | O4 | 54.1° | 175.0° |
| C3 | C1 | C2 | H4 | 153.0° | 97.3° |
| C1 | C3 | C5 | H12 | 174.1° | 55.1° |
| C1 | C3 | C5 | H13 | 65.8° | 65.0° |
| O1 | C3 | C5 | H11 | 119.9° | 121.1° |
| O1 | C3 | C5 | O4 | 64.0° | 67.1° |
| O1 | C3 | C1 | H3 | 89.5° | 116.8° |
| C3 | O1 | C4 | H6 | 126.7° | 78.5° |
| O1 | C3 | C5 | H12 | 56.0° | 172.9° |
| O1 | C3 | C5 | H13 | 176.1° | 52.8° |
| C3 | C5 | O4 | H12 | 120.0° | 120.0° |
| C3 | C5 | O4 | H13 | 120.0° | 120.0° |
| C3 | C5 | O4 | P2 | 145.7° | 180.0° |
| C5 | C3 | C1 | H3 | 31.1° | 2.6° |
| C3 | C5 | H12 | H13 | 120.1° | 120.1° |
| C5 | O4 | P2 | O10 | 113.7° | 55.0° |
| C5 | O4 | P2 | O7 | 130.2° | 175.0° |
| C5 | O4 | P2 | O12 | 8.5° | 65.0° |
| O4 | C5 | C3 | H11 | 176.1° | 53.9° |
| O4 | C5 | H12 | H13 | 120.1° | 119.9° |
| O4 | P2 | O10 | O7 | 116.1° | 120.0° |
| O4 | P2 | O10 | O12 | 124.7° | 120.0° |
| O4 | P2 | O7 | O12 | 124.3° | 120.0° |
| O4 | P2 | O7 | P3 | 131.0° | 160.0° |
| P2 | O4 | C5 | H12 | 94.4° | 60.0° |
| P2 | O4 | C5 | H13 | 25.7° | 60.0° |
| O4 | P2 | O12 | H14 | 121.3° | 60.0° |
| O10 | P2 | O7 | O12 | 119.4° | 120.0° |
| O10 | P2 | O7 | P3 | 112.6° | 40.0° |
| O10 | P2 | O12 | H14 | 0.0° | 180.0° |
| P2 | O7 | P3 | O13 | 158.2° | 40.1° |
| P2 | O7 | P3 | O14 | 38.1° | 80.0° |
| P2 | O7 | P3 | O8 | 85.8° | 160.1° |
| O7 | P2 | O12 | H14 | 118.1° | 60.0° |
| O12 | P2 | O7 | P3 | 6.7° | 80.1° |
| O7 | P3 | O13 | O14 | 120.0° | 120.0° |
| O7 | P3 | O13 | O8 | 116.2° | 120.0° |
| O7 | P3 | O14 | O8 | 120.7° | 120.0° |
| O7 | P3 | O8 | C11 | 118.2° | 175.0° |
| O7 | P3 | O14 | H15 | 118.8° | 60.0° |
| O13 | P3 | O14 | O8 | 120.5° | 120.0° |
| O13 | P3 | O8 | C11 | 125.5° | 55.0° |
| O13 | P3 | O14 | H15 | 0.0° | 180.0° |
| O14 | P3 | O8 | C11 | 3.7° | 65.0° |
| P3 | O8 | C11 | C9 | 161.1° | 180.0° |
| O8 | P3 | O14 | H15 | 120.5° | 60.0° |
| P3 | O8 | C11 | H16 | 78.8° | 60.0° |
| P3 | O8 | C11 | H17 | 41.0° | 60.0° |
| O8 | C11 | C9 | C13 | 70.3° | 60.0° |
| O8 | C11 | C9 | H16 | 120.1° | 120.0° |
| O8 | C11 | C9 | H17 | 120.1° | 120.0° |
| O8 | C11 | C9 | C14 | 48.2° | 60.0° |
| O8 | C11 | C9 | C10 | 169.0° | 180.0° |
| O8 | C11 | H16 | H17 | 119.7° | 120.0° |
| C13 | C9 | C11 | C14 | 118.5° | 120.0° |
| C13 | C9 | C11 | C10 | 120.7° | 120.0° |
| C13 | C9 | C14 | C10 | 120.1° | 120.0° |
| C13 | C9 | C10 | O11 | 61.7° | 174.4° |
| C13 | C9 | C10 | C16 | 176.5° | 65.6° |
| C13 | C9 | C11 | H16 | 169.6° | 180.0° |
| C13 | C9 | C11 | H17 | 49.8° | 60.0° |
| C9 | C13 | H18 | H19 | 120.0° | 120.0° |
| C9 | C13 | H18 | H20 | 120.0° | 120.0° |
| C9 | C13 | H19 | H20 | 120.0° | 120.0° |
| C13 | C9 | C14 | H21 | 180.0° | 173.2° |
| C13 | C9 | C14 | H22 | 60.0° | 66.8° |
| C13 | C9 | C14 | H23 | 60.0° | 53.2° |
| C13 | C9 | C10 | H24 | 57.2° | 54.4° |
| C11 | C9 | C14 | C10 | 121.8° | 119.9° |
| C11 | C9 | C10 | O11 | 178.2° | 65.7° |
| C11 | C9 | C10 | C16 | 56.4° | 54.4° |
| C9 | C11 | H16 | H17 | 119.6° | 120.0° |
| C11 | C9 | C13 | H18 | 180.0° | 65.4° |
| C11 | C9 | C13 | H19 | 60.0° | 174.7° |
| C11 | C9 | C13 | H20 | 60.0° | 54.7° |
| C11 | C9 | C14 | H21 | 61.9° | 53.2° |
| C11 | C9 | C14 | H22 | 178.1° | 173.2° |
| C11 | C9 | C14 | H23 | 58.1° | 66.8° |
| C11 | C9 | C10 | H24 | 62.9° | 174.4° |
| C14 | C9 | C10 | O11 | 58.1° | 54.3° |
| C14 | C9 | C10 | C16 | 63.7° | 174.3° |
| C14 | C9 | C11 | H16 | 71.9° | 60.0° |
| C14 | C9 | C11 | H17 | 168.3° | 180.0° |
| C14 | C9 | C13 | H18 | 61.9° | 54.6° |
| C14 | C9 | C13 | H19 | 178.0° | 65.3° |
| C14 | C9 | C13 | H20 | 58.1° | 174.6° |
| C9 | C14 | H21 | H22 | 120.0° | 120.0° |
| C9 | C14 | H21 | H23 | 120.0° | 120.0° |
| C9 | C14 | H22 | H23 | 120.0° | 120.0° |
| C14 | C9 | C10 | H24 | 177.0° | 65.7° |
| C9 | C10 | O11 | C16 | 123.3° | 120.0° |
| C9 | C10 | O11 | H24 | 117.9° | 120.0° |
| C9 | C10 | C16 | H24 | 119.1° | 120.0° |
| C9 | C10 | C16 | O15 | 81.6° | 109.2° |
| C9 | C10 | C16 | N6 | 99.2° | 70.8° |
| C10 | C9 | C11 | H16 | 48.9° | 60.0° |
| C10 | C9 | C11 | H17 | 70.9° | 60.0° |
| C10 | C9 | C13 | H18 | 58.2° | 174.7° |
| C10 | C9 | C13 | H19 | 61.8° | 54.7° |
| C10 | C9 | C13 | H20 | 178.2° | 65.3° |
| C10 | C9 | C14 | H21 | 59.9° | 66.7° |
| C10 | C9 | C14 | H22 | 60.1° | 53.3° |
| C10 | C9 | C14 | H23 | 180.0° | 173.3° |
| C9 | C10 | O11 | H25 | 180.0° | 60.0° |
| O11 | C10 | C16 | H24 | 119.7° | 120.0° |
| O11 | C10 | C16 | O15 | 157.2° | 10.8° |
| O11 | C10 | C16 | N6 | 22.0° | 169.2° |
| C10 | C16 | O15 | N6 | 179.2° | 180.0° |
| C10 | C16 | N6 | C17 | 177.1° | 175.2° |
| C16 | C10 | O11 | H25 | 56.7° | 60.0° |
| C10 | C16 | N6 | H26 | 2.9° | 4.8° |
| O15 | C16 | N6 | C17 | 2.1° | 4.8° |
| O15 | C16 | C10 | H24 | 37.5° | 130.8° |
| O15 | C16 | N6 | H26 | 177.9° | 175.3° |
| C16 | N6 | C17 | H26 | 180.0° | 179.9° |
| C16 | N6 | C17 | C18 | 125.0° | 180.0° |
| N6 | C16 | C10 | H24 | 141.7° | 49.2° |
| C16 | N6 | C17 | H27 | 114.7° | 60.0° |
| C16 | N6 | C17 | H28 | 4.7° | 60.0° |
| N6 | C17 | C18 | H27 | 120.3° | 120.0° |
| N6 | C17 | C18 | H28 | 120.3° | 120.1° |
| N6 | C17 | C18 | C19 | 167.9° | 180.0° |
| N6 | C17 | H27 | H28 | 119.0° | 120.1° |
| N6 | C17 | C18 | H29 | 71.8° | 60.0° |
| N6 | C17 | C18 | H30 | 47.5° | 60.0° |
| C17 | C18 | C19 | H29 | 120.4° | 120.0° |
| C17 | C18 | C19 | H30 | 120.4° | 120.0° |
| C17 | C18 | C19 | O16 | 11.9° | 0.1° |
| C17 | C18 | C19 | N7 | 168.1° | 180.0° |
| C18 | C17 | N6 | H26 | 55.0° | 0.0° |
| C18 | C17 | H27 | H28 | 119.0° | 119.9° |
| C17 | C18 | H29 | H30 | 118.9° | 120.0° |
| C18 | C19 | O16 | N7 | 180.0° | 179.9° |
| C18 | C19 | N7 | C20 | 179.3° | 180.0° |
| C19 | C18 | C17 | H27 | 47.5° | 60.0° |
| C19 | C18 | C17 | H28 | 71.8° | 59.9° |
| C19 | C18 | H29 | H30 | 118.9° | 120.1° |
| C18 | C19 | N7 | H31 | 0.7° | 0.0° |
| O16 | C19 | N7 | C20 | 0.7° | 0.0° |
| O16 | C19 | C18 | H29 | 132.3° | 120.1° |
| O16 | C19 | C18 | H30 | 108.4° | 119.9° |
| O16 | C19 | N7 | H31 | 179.3° | 179.9° |
| C19 | N7 | C20 | H31 | 180.0° | 180.0° |
| C19 | N7 | C20 | C21 | 148.0° | 180.0° |
| N7 | C19 | C18 | H29 | 47.7° | 60.0° |
| N7 | C19 | C18 | H30 | 71.6° | 60.0° |
| C19 | N7 | C20 | H32 | 27.6° | 60.0° |
| C19 | N7 | C20 | H33 | 91.5° | 60.0° |
| N7 | C20 | C21 | H32 | 120.5° | 120.0° |
| N7 | C20 | C21 | H33 | 120.5° | 120.0° |
| N7 | C20 | C21 | S1 | 164.1° | 180.0° |
| N7 | C20 | H32 | H33 | 118.7° | 119.9° |
| N7 | C20 | C21 | H34 | 75.9° | 60.0° |
| N7 | C20 | C21 | H35 | 44.1° | 60.0° |
| C20 | C21 | S1 | H34 | 120.0° | 120.0° |
| C20 | C21 | S1 | H35 | 120.0° | 120.1° |
| C20 | C21 | S1 | C22 | 175.2° | 180.0° |
| C21 | C20 | N7 | H31 | 32.0° | 0.0° |
| C21 | C20 | H32 | H33 | 118.6° | 120.0° |
| C20 | C21 | H34 | H35 | 120.0° | 120.0° |
| C21 | S1 | C22 | O17 | 0.3° | 0.0° |
| C21 | S1 | C22 | C23 | 179.5° | 180.0° |
| S1 | C21 | C20 | H32 | 43.6° | 60.0° |
| S1 | C21 | C20 | H33 | 75.5° | 60.0° |
| S1 | C21 | H34 | H35 | 120.0° | 120.0° |
| S1 | C22 | O17 | C23 | 179.7° | 180.0° |
| S1 | C22 | C23 | C24 | 133.9° | 180.0° |
| C22 | S1 | C21 | H34 | 55.2° | 60.0° |
| C22 | S1 | C21 | H35 | 64.8° | 59.9° |
| S1 | C22 | C23 | H36 | 105.6° | 60.0° |
| S1 | C22 | C23 | H37 | 13.3° | 60.0° |
| O17 | C22 | C23 | C24 | 46.4° | 0.0° |
| O17 | C22 | C23 | H36 | 74.2° | 120.0° |
| O17 | C22 | C23 | H37 | 167.0° | 120.0° |
| C22 | C23 | C24 | H36 | 120.6° | 120.0° |
| C22 | C23 | C24 | H37 | 120.6° | 120.0° |
| C22 | C23 | C24 | C25 | 41.3° | 175.0° |
| C22 | C23 | C24 | C26 | 79.9° | 65.0° |
| C22 | C23 | H36 | H37 | 118.1° | 120.0° |
| C22 | C23 | C24 | H38 | 161.7° | 55.0° |
| C23 | C24 | C25 | C26 | 121.3° | 120.0° |
| C23 | C24 | C25 | H38 | 120.4° | 120.0° |
| C23 | C24 | C26 | H38 | 118.3° | 120.0° |
| C24 | C23 | H36 | H37 | 118.1° | 120.0° |
| C23 | C24 | C25 | H39 | 180.0° | 60.0° |
| C23 | C24 | C25 | H40 | 60.0° | 180.0° |
| C23 | C24 | C25 | H41 | 60.0° | 60.0° |
| C23 | C24 | C26 | H42 | 180.0° | 60.0° |
| C23 | C24 | C26 | H43 | 60.0° | 60.0° |
| C23 | C24 | C26 | H44 | 60.0° | 180.0° |
| C25 | C24 | C26 | H38 | 118.3° | 120.0° |
| C25 | C24 | C23 | H36 | 161.9° | 55.0° |
| C25 | C24 | C23 | H37 | 79.3° | 65.0° |
| C24 | C25 | H39 | H40 | 120.0° | 119.9° |
| C24 | C25 | H39 | H41 | 120.0° | 120.0° |
| C24 | C25 | H40 | H41 | 120.0° | 120.0° |
| C25 | C24 | C26 | H42 | 56.7° | 60.0° |
| C25 | C24 | C26 | H43 | 63.3° | 180.0° |
| C25 | C24 | C26 | H44 | 176.7° | 60.0° |
| C26 | C24 | C23 | H36 | 40.8° | 175.0° |
| C26 | C24 | C23 | H37 | 159.6° | 55.0° |
| C26 | C24 | C25 | H39 | 58.7° | 60.0° |
| C26 | C24 | C25 | H40 | 178.7° | 60.0° |
| C26 | C24 | C25 | H41 | 61.3° | 180.0° |
| C24 | C26 | H42 | H43 | 120.0° | 120.0° |
| C24 | C26 | H42 | H44 | 120.0° | 119.9° |
| C24 | C26 | H43 | H44 | 120.0° | 119.9° |
| H3 | C1 | C2 | H4 | 32.4° | 21.4° |
| H3 | C1 | C3 | H11 | 153.2° | 123.8° |
| H4 | C2 | O3 | H5 | 67.4° | 62.2° |
| H4 | C2 | C4 | H6 | 96.0° | 160.2° |
| H11 | C3 | C5 | H12 | 63.9° | 66.0° |
| H11 | C3 | C5 | H13 | 56.2° | 173.9° |
| H18 | C13 | H19 | H20 | 120.0° | 120.0° |
| H21 | C14 | H22 | H23 | 120.0° | 120.0° |
| H24 | C10 | O11 | H25 | 62.1° | 179.9° |
| H26 | N6 | C17 | H27 | 65.3° | 120.0° |
| H26 | N6 | C17 | H28 | 175.4° | 120.0° |
| H27 | C17 | C18 | H29 | 167.9° | NaN° |
| H27 | C17 | C18 | H30 | 72.9° | 60.0° |
| H28 | C17 | C18 | H29 | 48.6° | 60.1° |
| H28 | C17 | C18 | H30 | 167.8° | 180.0° |
| H31 | N7 | C20 | H32 | 152.4° | 120.0° |
| H31 | N7 | C20 | H33 | 88.5° | 120.1° |
| H32 | C20 | C21 | H34 | 163.7° | NaN° |
| H32 | C20 | C21 | H35 | 76.4° | 60.0° |
| H33 | C20 | C21 | H34 | 44.6° | 60.0° |
| H33 | C20 | C21 | H35 | 164.6° | 180.0° |
| H36 | C23 | C24 | H38 | 77.7° | 65.0° |
| H37 | C23 | C24 | H38 | 41.1° | 175.0° |
| H38 | C24 | C25 | H39 | 59.7° | 180.0° |
| H38 | C24 | C25 | H40 | 60.4° | 60.0° |
| H38 | C24 | C25 | H41 | 179.6° | 60.0° |
| H38 | C24 | C26 | H42 | 61.6° | 180.0° |
| H38 | C24 | C26 | H43 | 178.4° | 60.0° |
| H38 | C24 | C26 | H44 | 58.3° | 60.0° |
| H39 | C25 | H40 | H41 | 120.0° | 120.1° |
| H42 | C26 | H43 | H44 | 120.0° | 120.1° |
