4KW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | P3 | doub | 1.48Å | 1.51Å | |
| O16 | P3 | sing | 1.61Å | 1.53Å | |
| P3 | O15 | sing | 1.61Å | 1.52Å | |
| P3 | O13 | sing | 1.61Å | 1.59Å | |
| O13 | C21 | sing | 1.43Å | 1.39Å | |
| O12 | C20 | sing | 1.43Å | 1.39Å | |
| C21 | C20 | sing | 1.55Å | 1.50Å | |
| C21 | C13 | sing | 1.54Å | 1.51Å | |
| C20 | C14 | sing | 1.55Å | 1.51Å | |
| C14 | O11 | sing | 1.44Å | 1.44Å | |
| C14 | N3 | sing | 1.47Å | 1.48Å | |
| C13 | O11 | sing | 1.44Å | 1.41Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N6 | C18 | doub | 1.32Å | 1.35Å | Aromatic |
| N6 | C19 | sing | 1.33Å | 1.35Å | Aromatic |
| C18 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C15 | sing | 1.36Å | 1.35Å | Aromatic |
| C19 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | O10 | sing | 1.43Å | 1.41Å | |
| O9 | P2 | doub | 1.48Å | 1.53Å | |
| O10 | P2 | sing | 1.61Å | 1.61Å | |
| N5 | C17 | doub | 1.33Å | 1.36Å | Aromatic |
| C15 | N4 | doub | 1.30Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| P2 | O8 | sing | 1.61Å | 1.51Å | |
| P2 | O7 | sing | 1.61Å | 1.58Å | |
| C17 | N7 | sing | 1.38Å | 1.43Å | |
| O6 | P1 | doub | 1.48Å | 1.54Å | |
| O7 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O5 | sing | 1.61Å | 1.48Å | |
| P1 | O4 | sing | 1.61Å | 1.60Å | |
| O4 | C11 | sing | 1.43Å | 1.39Å | |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.60Å | |
| O2 | C6 | doub | 1.21Å | 1.22Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.61Å | |
| C7 | O3 | sing | 1.43Å | 1.51Å | |
| C6 | N2 | sing | 1.35Å | 1.45Å | |
| C4 | C1 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.46Å | |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | C22 | sing | 1.76Å | 1.83Å | |
| C28 | C26 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.50Å | 1.50Å | |
| C22 | C27 | sing | 1.47Å | 1.42Å | |
| C22 | O17 | doub | 1.22Å | 1.33Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C27 | C25 | doub | 1.32Å | 1.39Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C25 | C23 | sing | 1.50Å | 1.48Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| O8 | H22 | sing | 0.97Å | 0.95Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| O15 | H24 | sing | 0.97Å | 0.95Å | |
| O16 | H25 | sing | 0.97Å | 0.95Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| O12 | H28 | sing | 0.97Å | 0.95Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| C18 | H31 | sing | 1.08Å | 1.08Å | |
| C2 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C24 | H41 | sing | 1.09Å | 1.10Å | |
| C24 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | P3 | O16 | 110.9° | 109.5° |
| O14 | P3 | O15 | 107.7° | 109.4° |
| O14 | P3 | O13 | 108.3° | 109.5° |
| O16 | P3 | O15 | 110.2° | 109.5° |
| O16 | P3 | O13 | 109.6° | 109.5° |
| P3 | O16 | H25 | 109.5° | 114.0° |
| O15 | P3 | O13 | 110.1° | 109.5° |
| P3 | O15 | H24 | 109.5° | 114.0° |
| P3 | O13 | C21 | 125.0° | 123.0° |
| O13 | C21 | C20 | 115.1° | 110.5° |
| O13 | C21 | C13 | 108.2° | 110.5° |
| O13 | C21 | H26 | 111.7° | 110.4° |
| O12 | C20 | C21 | 116.5° | 110.9° |
| O12 | C20 | C14 | 114.5° | 110.9° |
| O12 | C20 | H27 | 109.4° | 110.8° |
| C20 | O12 | H28 | 109.5° | 114.0° |
| C20 | C21 | C13 | 101.2° | 104.2° |
| C21 | C20 | C14 | 99.9° | 102.1° |
| C20 | C21 | H26 | 110.1° | 110.6° |
| C21 | C20 | H27 | 108.0° | 110.9° |
| C21 | C13 | O11 | 106.8° | 107.3° |
| C21 | C13 | C12 | 114.8° | 109.9° |
| C21 | C13 | H20 | 107.3° | 110.0° |
| C13 | C21 | H26 | 110.0° | 110.5° |
| C20 | C14 | O11 | 107.9° | 103.5° |
| C20 | C14 | N3 | 116.2° | 110.6° |
| C20 | C14 | H21 | 106.6° | 110.8° |
| C14 | C20 | H27 | 107.9° | 110.9° |
| O11 | C14 | N3 | 111.2° | 110.6° |
| C14 | O11 | C13 | 106.7° | 106.9° |
| O11 | C14 | H21 | 107.5° | 110.6° |
| C14 | N3 | C19 | 125.1° | 126.3° |
| C14 | N3 | C15 | 126.7° | 126.3° |
| N3 | C14 | H21 | 107.0° | 110.5° |
| O11 | C13 | C12 | 112.1° | 109.8° |
| O11 | C13 | H20 | 108.4° | 109.9° |
| C13 | C12 | O10 | 110.9° | 109.5° |
| C13 | C12 | H18 | 109.1° | 109.4° |
| C13 | C12 | H19 | 109.1° | 109.5° |
| C12 | C13 | H20 | 107.2° | 109.8° |
| C18 | N6 | C19 | 123.2° | 120.7° |
| N6 | C18 | N5 | 119.7° | 122.5° |
| N6 | C18 | H31 | 120.1° | 118.8° |
| N6 | C19 | N3 | 134.1° | 134.9° |
| N6 | C19 | C16 | 118.3° | 119.0° |
| C18 | N5 | C17 | 120.6° | 121.2° |
| N5 | C18 | H31 | 120.1° | 118.8° |
| C19 | N3 | C15 | 108.0° | 107.4° |
| N3 | C19 | C16 | 107.6° | 106.0° |
| N3 | C15 | N4 | 108.3° | 109.9° |
| N3 | C15 | H23 | 125.9° | 125.0° |
| C19 | C16 | C17 | 118.1° | 118.2° |
| C19 | C16 | N4 | 106.1° | 107.1° |
| C12 | O10 | P2 | 119.8° | 123.0° |
| O10 | C12 | H18 | 109.1° | 109.5° |
| O10 | C12 | H19 | 109.1° | 109.5° |
| O9 | P2 | O10 | 108.5° | 109.5° |
| O9 | P2 | O8 | 110.1° | 109.5° |
| O9 | P2 | O7 | 112.7° | 109.4° |
| O10 | P2 | O8 | 111.9° | 109.5° |
| O10 | P2 | O7 | 107.9° | 109.5° |
| N5 | C17 | C16 | 120.1° | 118.5° |
| N5 | C17 | N7 | 120.1° | 120.8° |
| C15 | N4 | C16 | 109.9° | 109.5° |
| N4 | C15 | H23 | 125.8° | 125.0° |
| C17 | C16 | N4 | 135.8° | 134.7° |
| C16 | C17 | N7 | 119.8° | 120.7° |
| O8 | P2 | O7 | 105.7° | 109.4° |
| P2 | O8 | H22 | 109.5° | 114.0° |
| P2 | O7 | P1 | 126.9° | 134.0° |
| C17 | N7 | H29 | 109.5° | 120.0° |
| C17 | N7 | H30 | 109.5° | 120.0° |
| O6 | P1 | O7 | 111.0° | 109.5° |
| O6 | P1 | O5 | 112.3° | 109.4° |
| O6 | P1 | O4 | 118.5° | 109.4° |
| O7 | P1 | O5 | 110.6° | 109.5° |
| O7 | P1 | O4 | 99.5° | 109.5° |
| O5 | P1 | O4 | 104.1° | 109.5° |
| P1 | O5 | H12 | 109.5° | 113.9° |
| P1 | O4 | C11 | 126.2° | 123.0° |
| O4 | C11 | C8 | 102.1° | 109.5° |
| O4 | C11 | H16 | 111.3° | 109.5° |
| O4 | C11 | H17 | 111.3° | 109.5° |
| C11 | C8 | C10 | 109.1° | 109.5° |
| C11 | C8 | C9 | 106.4° | 109.5° |
| C11 | C8 | C7 | 114.0° | 109.5° |
| C8 | C11 | H16 | 111.3° | 109.5° |
| C8 | C11 | H17 | 111.3° | 109.5° |
| C10 | C8 | C9 | 117.6° | 109.5° |
| C10 | C8 | C7 | 103.4° | 109.5° |
| C8 | C10 | H13 | 109.5° | 109.5° |
| C8 | C10 | H14 | 109.5° | 109.5° |
| C8 | C10 | H15 | 109.5° | 109.5° |
| C9 | C8 | C7 | 106.6° | 109.4° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.4° | 109.5° |
| C8 | C7 | C6 | 109.9° | 109.5° |
| C8 | C7 | O3 | 109.6° | 109.5° |
| C8 | C7 | H7 | 107.4° | 109.5° |
| O2 | C6 | C7 | 119.1° | 120.0° |
| O2 | C6 | N2 | 118.3° | 120.0° |
| O1 | C1 | C4 | 119.6° | 120.0° |
| O1 | C1 | N1 | 117.5° | 120.0° |
| C6 | C7 | O3 | 114.0° | 109.5° |
| C7 | C6 | N2 | 122.5° | 120.0° |
| C6 | C7 | H7 | 107.3° | 109.4° |
| C7 | O3 | H1 | 109.5° | 114.0° |
| O3 | C7 | H7 | 108.5° | 109.4° |
| C6 | N2 | C5 | 122.3° | 120.0° |
| C6 | N2 | H8 | 118.8° | 120.0° |
| C1 | C4 | C5 | 112.1° | 109.5° |
| C4 | C1 | N1 | 122.9° | 120.0° |
| C1 | C4 | H2 | 108.8° | 109.5° |
| C1 | C4 | H3 | 108.8° | 109.5° |
| C4 | C5 | N2 | 107.0° | 109.5° |
| C5 | C4 | H2 | 108.8° | 109.4° |
| C5 | C4 | H3 | 108.8° | 109.5° |
| C4 | C5 | H4 | 110.1° | 109.5° |
| C4 | C5 | H5 | 110.1° | 109.5° |
| C1 | N1 | C2 | 116.4° | 120.0° |
| C1 | N1 | H6 | 121.8° | 120.0° |
| N2 | C5 | H4 | 110.1° | 109.5° |
| N2 | C5 | H5 | 110.1° | 109.4° |
| C5 | N2 | H8 | 118.9° | 120.0° |
| N1 | C2 | C3 | 114.3° | 109.4° |
| C2 | N1 | H6 | 121.8° | 120.1° |
| N1 | C2 | H32 | 108.3° | 109.5° |
| N1 | C2 | H33 | 108.3° | 109.5° |
| C2 | C3 | S1 | 108.6° | 109.5° |
| C3 | C2 | H32 | 108.2° | 109.4° |
| C3 | C2 | H33 | 108.3° | 109.5° |
| C2 | C3 | H34 | 109.7° | 109.5° |
| C2 | C3 | H35 | 109.7° | 109.5° |
| C3 | S1 | C22 | 104.5° | 100.0° |
| S1 | C3 | H34 | 109.7° | 109.5° |
| S1 | C3 | H35 | 109.7° | 109.5° |
| S1 | C22 | C27 | 116.3° | 120.0° |
| S1 | C22 | O17 | 112.9° | 120.0° |
| C26 | C28 | C27 | 113.2° | 110.0° |
| C28 | C26 | C24 | 118.2° | 108.3° |
| C28 | C26 | H43 | 107.3° | 109.8° |
| C28 | C26 | H44 | 107.2° | 109.7° |
| C26 | C28 | H45 | 108.5° | 109.4° |
| C26 | C28 | H46 | 108.5° | 109.3° |
| C28 | C27 | C22 | 120.0° | 118.1° |
| C28 | C27 | C25 | 120.9° | 123.8° |
| C27 | C28 | H45 | 108.5° | 109.7° |
| C27 | C28 | H46 | 108.5° | 109.2° |
| C27 | C22 | O17 | 130.8° | 120.0° |
| C22 | C27 | C25 | 119.0° | 118.1° |
| C26 | C24 | C23 | 110.1° | 108.5° |
| C26 | C24 | H41 | 109.3° | 109.6° |
| C26 | C24 | H42 | 109.3° | 109.8° |
| C24 | C26 | H43 | 107.2° | 109.7° |
| C24 | C26 | H44 | 107.3° | 109.6° |
| C27 | C25 | C23 | 118.9° | 123.8° |
| C27 | C25 | H37 | 120.5° | 118.1° |
| C24 | C23 | C25 | 111.5° | 110.1° |
| C24 | C23 | H39 | 108.9° | 109.4° |
| C24 | C23 | H40 | 108.9° | 109.2° |
| C23 | C24 | H41 | 109.3° | 109.6° |
| C23 | C24 | H42 | 109.3° | 109.6° |
| C23 | C25 | H37 | 120.5° | 118.1° |
| C25 | C23 | H39 | 109.0° | 109.4° |
| C25 | C23 | H40 | 109.0° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H11 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H13 | C10 | H15 | 109.4° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.4° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H29 | N7 | H30 | 109.4° | 120.0° |
| H32 | C2 | H33 | 109.5° | 109.5° |
| H34 | C3 | H35 | 109.5° | 109.4° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| H41 | C24 | H42 | 109.5° | 109.6° |
| H43 | C26 | H44 | 109.5° | 109.7° |
| H45 | C28 | H46 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | P3 | O16 | O15 | 119.1° | 120.0° |
| O14 | P3 | O16 | O13 | 119.6° | 120.0° |
| O14 | P3 | O15 | O13 | 117.9° | 120.0° |
| O14 | P3 | O13 | C21 | 147.4° | 55.0° |
| O14 | P3 | O15 | H24 | 0.0° | 180.0° |
| O14 | P3 | O16 | H25 | 0.0° | 60.0° |
| O16 | P3 | O15 | O13 | 121.0° | 120.0° |
| O16 | P3 | O13 | C21 | 26.2° | 175.0° |
| O16 | P3 | O15 | H24 | 121.1° | 60.0° |
| O15 | P3 | O13 | C21 | 95.1° | 65.0° |
| O15 | P3 | O16 | H25 | 119.2° | 60.0° |
| P3 | O13 | C21 | C20 | 115.9° | 121.5° |
| P3 | O13 | C21 | C13 | 131.9° | 123.8° |
| O13 | P3 | O15 | H24 | 117.9° | 60.0° |
| O13 | P3 | O16 | H25 | 119.5° | 180.0° |
| P3 | O13 | C21 | H26 | 10.6° | 1.2° |
| O13 | C21 | C20 | O12 | 47.8° | 20.4° |
| O13 | C21 | C20 | C13 | 116.3° | 118.7° |
| O13 | C21 | C20 | H26 | 127.3° | 122.5° |
| O13 | C21 | C13 | H26 | 122.3° | 122.5° |
| O13 | C21 | C20 | C14 | 76.1° | 97.8° |
| O13 | C21 | C13 | O11 | 84.0° | 120.7° |
| O13 | C21 | C13 | C12 | 151.0° | 119.9° |
| O13 | C21 | C13 | H20 | 32.1° | 1.2° |
| O13 | C21 | C20 | H27 | 171.3° | 144.0° |
| O12 | C20 | C21 | C14 | 123.9° | 118.2° |
| O12 | C20 | C21 | H27 | 123.6° | 123.6° |
| O12 | C20 | C21 | C13 | 164.1° | 139.1° |
| O12 | C20 | C14 | H27 | 122.1° | 123.6° |
| O12 | C20 | C14 | O11 | 157.1° | 155.3° |
| O12 | C20 | C14 | N3 | 77.3° | 86.3° |
| O12 | C20 | C14 | H21 | 41.8° | 36.7° |
| O12 | C20 | C21 | H26 | 79.5° | 102.1° |
| C20 | C21 | C13 | H26 | 116.5° | 118.8° |
| C21 | C20 | C14 | H27 | 112.6° | 118.2° |
| C21 | C20 | C14 | O11 | 31.8° | 37.1° |
| C21 | C20 | C14 | N3 | 157.4° | 155.5° |
| C20 | C21 | C13 | O11 | 37.2° | 2.1° |
| C20 | C21 | C13 | C12 | 87.7° | 121.5° |
| C20 | C21 | C13 | H20 | 153.3° | 117.5° |
| C21 | C20 | C14 | H21 | 83.4° | 81.5° |
| C21 | C20 | O12 | H28 | 180.0° | 180.0° |
| C13 | C21 | C20 | C14 | 40.2° | 20.9° |
| C21 | C13 | O11 | C14 | 17.4° | 26.6° |
| C21 | C13 | O11 | C12 | 126.5° | 119.4° |
| C21 | C13 | O11 | H20 | 115.3° | 119.7° |
| C21 | C13 | C12 | H20 | 119.0° | 121.2° |
| C21 | C13 | C12 | O10 | 54.7° | 175.7° |
| C21 | C13 | C12 | H18 | 174.9° | 55.7° |
| C21 | C13 | C12 | H19 | 65.5° | 64.2° |
| C13 | C21 | C20 | H27 | 72.4° | 97.3° |
| C20 | C14 | O11 | N3 | 128.5° | 118.5° |
| C20 | C14 | O11 | H21 | 114.7° | 118.7° |
| C20 | C14 | N3 | H21 | 118.9° | 123.1° |
| C20 | C14 | O11 | C13 | 9.4° | 40.1° |
| C20 | C14 | N3 | C19 | 132.7° | 89.4° |
| C20 | C14 | N3 | C15 | 51.9° | 90.2° |
| C14 | C20 | C21 | H26 | 156.6° | 139.7° |
| C14 | C20 | O12 | H28 | 64.0° | 67.3° |
| O11 | C14 | N3 | H21 | 117.1° | 122.9° |
| C14 | O11 | C13 | C12 | 109.2° | 146.0° |
| O11 | C14 | N3 | C19 | 103.4° | 156.5° |
| O11 | C14 | N3 | C15 | 72.1° | 23.9° |
| C14 | O11 | C13 | H20 | 132.7° | 93.1° |
| O11 | C14 | C20 | H27 | 80.8° | 81.2° |
| N3 | C14 | O11 | C13 | 137.9° | 158.6° |
| C14 | N3 | C19 | N6 | 4.4° | 0.4° |
| C14 | N3 | C19 | C15 | 176.1° | 179.7° |
| C14 | N3 | C19 | C16 | 177.9° | 179.7° |
| C14 | N3 | C15 | N4 | 178.3° | 179.7° |
| C14 | N3 | C15 | H23 | 1.7° | 0.3° |
| N3 | C14 | C20 | H27 | 44.8° | 37.3° |
| O11 | C13 | C12 | H20 | 118.9° | 121.0° |
| O11 | C13 | C12 | O10 | 67.4° | 66.5° |
| O11 | C13 | C12 | H18 | 52.8° | 173.6° |
| O11 | C13 | C12 | H19 | 172.4° | 53.6° |
| C13 | O11 | C14 | H21 | 105.3° | 78.6° |
| O11 | C13 | C21 | H26 | 153.7° | 116.8° |
| C13 | C12 | O10 | H18 | 120.2° | 120.0° |
| C13 | C12 | O10 | H19 | 120.2° | 120.0° |
| C13 | C12 | O10 | P2 | 160.7° | 180.0° |
| C13 | C12 | H18 | H19 | 119.3° | 120.0° |
| C12 | C13 | C21 | H26 | 28.8° | 2.6° |
| N6 | C18 | N5 | H31 | 180.0° | 180.0° |
| C18 | N6 | C19 | N3 | 178.9° | 180.0° |
| C18 | N6 | C19 | C16 | 1.3° | 0.1° |
| N6 | C18 | N5 | C17 | 2.2° | 0.1° |
| C19 | N6 | C18 | N5 | 0.0° | 0.1° |
| N6 | C19 | N3 | C16 | 177.7° | 179.9° |
| N6 | C19 | N3 | C15 | 179.5° | 180.0° |
| N6 | C19 | C16 | C17 | 0.6° | 0.1° |
| N6 | C19 | C16 | N4 | 178.7° | 180.0° |
| C19 | N6 | C18 | H31 | 180.0° | 180.0° |
| C18 | N5 | C17 | C16 | 2.9° | 0.1° |
| C18 | N5 | C17 | N7 | 178.9° | 180.0° |
| C19 | N3 | C15 | N4 | 2.3° | 0.0° |
| N3 | C19 | C16 | C17 | 178.8° | 180.0° |
| N3 | C19 | C16 | N4 | 0.5° | 0.1° |
| C19 | N3 | C14 | H21 | 13.8° | 33.6° |
| C19 | N3 | C15 | H23 | 177.7° | 180.0° |
| C15 | N3 | C19 | C16 | 1.7° | 0.1° |
| N3 | C15 | N4 | H23 | 180.0° | 180.0° |
| N3 | C15 | N4 | C16 | 2.0° | 0.0° |
| C15 | N3 | C14 | H21 | 170.8° | 146.8° |
| C19 | C16 | C17 | N5 | 1.4° | 0.1° |
| C19 | C16 | N4 | C15 | 0.8° | 0.0° |
| C19 | C16 | C17 | N4 | 179.1° | 179.9° |
| C19 | C16 | C17 | N7 | 179.7° | 180.0° |
| C12 | O10 | P2 | O9 | 50.6° | 55.0° |
| C12 | O10 | P2 | O8 | 172.3° | 65.0° |
| C12 | O10 | P2 | O7 | 71.8° | 175.0° |
| O10 | C12 | H18 | H19 | 119.3° | 120.0° |
| O10 | C12 | C13 | H20 | 173.7° | 54.5° |
| O9 | P2 | O10 | O8 | 121.7° | 120.0° |
| O9 | P2 | O10 | O7 | 122.4° | 120.0° |
| O9 | P2 | O8 | O7 | 122.0° | 120.0° |
| O9 | P2 | O7 | P1 | 48.9° | 44.9° |
| O9 | P2 | O8 | H22 | 0.0° | 180.0° |
| O10 | P2 | O8 | O7 | 117.2° | 120.0° |
| O10 | P2 | O7 | P1 | 70.9° | 164.9° |
| P2 | O10 | C12 | H18 | 79.1° | 60.0° |
| P2 | O10 | C12 | H19 | 40.5° | 59.9° |
| O10 | P2 | O8 | H22 | 120.7° | 60.0° |
| N5 | C17 | C16 | N7 | 178.2° | 180.0° |
| N5 | C17 | C16 | N4 | 179.5° | 180.0° |
| N5 | C17 | N7 | H29 | 0.0° | 180.0° |
| N5 | C17 | N7 | H30 | 120.0° | 0.0° |
| C17 | N5 | C18 | H31 | 177.9° | 180.0° |
| C15 | N4 | C16 | C17 | 180.0° | 180.0° |
| C16 | C17 | N7 | H29 | 178.2° | 0.0° |
| C16 | C17 | N7 | H30 | 58.3° | 180.0° |
| N4 | C16 | C17 | N7 | 1.3° | 0.0° |
| C16 | N4 | C15 | H23 | 178.0° | 180.0° |
| O8 | P2 | O7 | P1 | 169.3° | 75.0° |
| P2 | O7 | P1 | O6 | 24.7° | 45.0° |
| P2 | O7 | P1 | O5 | 100.6° | 74.9° |
| P2 | O7 | P1 | O4 | 150.4° | 165.0° |
| O7 | P2 | O8 | H22 | 122.0° | 60.0° |
| C17 | N7 | H29 | H30 | 120.0° | 180.0° |
| O6 | P1 | O7 | O5 | 125.3° | 120.0° |
| O6 | P1 | O7 | O4 | 125.7° | 120.0° |
| O6 | P1 | O5 | O4 | 129.4° | 120.0° |
| O6 | P1 | O4 | C11 | 69.3° | 55.0° |
| O6 | P1 | O5 | H12 | 0.0° | 180.0° |
| O7 | P1 | O5 | O4 | 106.1° | 120.0° |
| O7 | P1 | O4 | C11 | 51.0° | 175.0° |
| O7 | P1 | O5 | H12 | 124.5° | 60.0° |
| O5 | P1 | O4 | C11 | 165.2° | 65.0° |
| P1 | O4 | C11 | C8 | 148.0° | 180.0° |
| O4 | P1 | O5 | H12 | 129.5° | 60.0° |
| P1 | O4 | C11 | H16 | 29.1° | 59.9° |
| P1 | O4 | C11 | H17 | 93.2° | 60.0° |
| O4 | C11 | C8 | H16 | 118.8° | 120.0° |
| O4 | C11 | C8 | H17 | 118.8° | 120.0° |
| O4 | C11 | C8 | C10 | 34.6° | 60.0° |
| O4 | C11 | C8 | C9 | 162.5° | 60.0° |
| O4 | C11 | C8 | C7 | 80.3° | 180.0° |
| O4 | C11 | H16 | H17 | 123.4° | 120.0° |
| C11 | C8 | C10 | C9 | 121.3° | 120.0° |
| C11 | C8 | C10 | C7 | 121.6° | 120.0° |
| C11 | C8 | C9 | C7 | 122.0° | 120.0° |
| C11 | C8 | C7 | C6 | 57.2° | 174.0° |
| C11 | C8 | C7 | O3 | 176.8° | 54.0° |
| C11 | C8 | C7 | H7 | 59.2° | 66.0° |
| C11 | C8 | C9 | H9 | 180.0° | 175.6° |
| C11 | C8 | C9 | H10 | 60.0° | 55.6° |
| C11 | C8 | C9 | H11 | 60.0° | 64.4° |
| C11 | C8 | C10 | H13 | 180.0° | 180.0° |
| C11 | C8 | C10 | H14 | 60.0° | 60.0° |
| C11 | C8 | C10 | H15 | 60.0° | 60.0° |
| C8 | C11 | H16 | H17 | 123.4° | 120.0° |
| C10 | C8 | C9 | C7 | 115.4° | 120.0° |
| C10 | C8 | C7 | C6 | 175.4° | 54.0° |
| C10 | C8 | C7 | O3 | 58.5° | 66.0° |
| C10 | C8 | C7 | H7 | 59.1° | 174.0° |
| C10 | C8 | C9 | H9 | 57.4° | 55.6° |
| C10 | C8 | C9 | H10 | 62.7° | 64.4° |
| C10 | C8 | C9 | H11 | 177.4° | 175.6° |
| C8 | C10 | H13 | H14 | 120.0° | 120.0° |
| C8 | C10 | H13 | H15 | 120.0° | 120.0° |
| C8 | C10 | H14 | H15 | 120.0° | 120.0° |
| C10 | C8 | C11 | H16 | 84.2° | 180.0° |
| C10 | C8 | C11 | H17 | 153.4° | 60.0° |
| C9 | C8 | C7 | C6 | 59.9° | 66.0° |
| C9 | C8 | C7 | O3 | 66.1° | 174.0° |
| C9 | C8 | C7 | H7 | 176.3° | 54.0° |
| C8 | C9 | H9 | H10 | 120.0° | 120.0° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C9 | C8 | C10 | H13 | 58.7° | 60.0° |
| C9 | C8 | C10 | H14 | 178.7° | 180.0° |
| C9 | C8 | C10 | H15 | 61.2° | 60.0° |
| C9 | C8 | C11 | H16 | 43.6° | 60.0° |
| C9 | C8 | C11 | H17 | 78.7° | 179.9° |
| C8 | C7 | C6 | O2 | 61.2° | 71.8° |
| C8 | C7 | C6 | O3 | 123.5° | 120.0° |
| C8 | C7 | C6 | H7 | 116.4° | 120.1° |
| C8 | C7 | O3 | H7 | 116.9° | 120.1° |
| C8 | C7 | C6 | N2 | 114.5° | 108.2° |
| C8 | C7 | O3 | H1 | 180.0° | 60.0° |
| C7 | C8 | C9 | H9 | 58.0° | 64.4° |
| C7 | C8 | C9 | H10 | 178.0° | 175.6° |
| C7 | C8 | C9 | H11 | 62.0° | 55.6° |
| C7 | C8 | C10 | H13 | 58.4° | 60.0° |
| C7 | C8 | C10 | H14 | 61.6° | 60.0° |
| C7 | C8 | C10 | H15 | 178.4° | 180.0° |
| C7 | C8 | C11 | H16 | 160.9° | 60.0° |
| C7 | C8 | C11 | H17 | 38.5° | 60.0° |
| O2 | C6 | C7 | N2 | 175.7° | 180.0° |
| O2 | C6 | C7 | O3 | 175.3° | 168.2° |
| O2 | C6 | N2 | C5 | 3.0° | 5.1° |
| O2 | C6 | C7 | H7 | 55.2° | 48.3° |
| O2 | C6 | N2 | H8 | 177.0° | 174.8° |
| O1 | C1 | C4 | N1 | 178.6° | 179.9° |
| O1 | C1 | C4 | C5 | 178.0° | 0.0° |
| O1 | C1 | N1 | C2 | 0.1° | 0.1° |
| O1 | C1 | C4 | H2 | 61.6° | 120.0° |
| O1 | C1 | C4 | H3 | 57.6° | 120.0° |
| O1 | C1 | N1 | H6 | 179.9° | 180.0° |
| C6 | C7 | O3 | H7 | 119.4° | 119.9° |
| C7 | C6 | N2 | C5 | 178.8° | 174.9° |
| C6 | C7 | O3 | H1 | 56.3° | 60.0° |
| C7 | C6 | N2 | H8 | 1.2° | 5.2° |
| O3 | C7 | C6 | N2 | 9.0° | 11.8° |
| C6 | N2 | C5 | C4 | 75.7° | 180.0° |
| C6 | N2 | C5 | H8 | 180.0° | 179.9° |
| C6 | N2 | C5 | H4 | 164.7° | 59.9° |
| C6 | N2 | C5 | H5 | 43.9° | 60.0° |
| N2 | C6 | C7 | H7 | 129.1° | 131.8° |
| C1 | C4 | C5 | H2 | 120.4° | 120.0° |
| C1 | C4 | C5 | H3 | 120.4° | 120.0° |
| C1 | C4 | C5 | N2 | 64.6° | 180.0° |
| C4 | C1 | N1 | C2 | 178.5° | 180.0° |
| C1 | C4 | H2 | H3 | 118.8° | 120.1° |
| C1 | C4 | C5 | H4 | 55.0° | 60.0° |
| C1 | C4 | C5 | H5 | 175.8° | 60.0° |
| C4 | C1 | N1 | H6 | 1.5° | 0.0° |
| C5 | C4 | C1 | N1 | 0.7° | 180.0° |
| C4 | C5 | N2 | H4 | 119.6° | 120.1° |
| C4 | C5 | N2 | H5 | 119.6° | 120.0° |
| C5 | C4 | H2 | H3 | 118.8° | 120.0° |
| C4 | C5 | H4 | H5 | 121.1° | 120.0° |
| C4 | C5 | N2 | H8 | 104.3° | 0.1° |
| C1 | N1 | C2 | H6 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 75.8° | 180.0° |
| N1 | C1 | C4 | H2 | 119.7° | 60.0° |
| N1 | C1 | C4 | H3 | 121.1° | 60.0° |
| C1 | N1 | C2 | H32 | 163.5° | 60.1° |
| C1 | N1 | C2 | H33 | 44.9° | 60.0° |
| N2 | C5 | C4 | H2 | 175.0° | 60.0° |
| N2 | C5 | C4 | H3 | 55.8° | 60.0° |
| N2 | C5 | H4 | H5 | 121.2° | 119.9° |
| N1 | C2 | C3 | H32 | 120.7° | 120.0° |
| N1 | C2 | C3 | H33 | 120.7° | 120.0° |
| N1 | C2 | C3 | S1 | 168.0° | 180.0° |
| N1 | C2 | H32 | H33 | 117.8° | 120.1° |
| N1 | C2 | C3 | H34 | 72.2° | 60.0° |
| N1 | C2 | C3 | H35 | 48.1° | 59.9° |
| C2 | C3 | S1 | H34 | 119.8° | 120.0° |
| C2 | C3 | S1 | H35 | 119.9° | 120.0° |
| C2 | C3 | S1 | C22 | 67.8° | 180.0° |
| C3 | C2 | N1 | H6 | 104.2° | 0.0° |
| C3 | C2 | H32 | H33 | 117.8° | 120.0° |
| C2 | C3 | H34 | H35 | 120.4° | 120.0° |
| C3 | S1 | C22 | C27 | 164.8° | 180.0° |
| C3 | S1 | C22 | O17 | 15.3° | 0.0° |
| S1 | C3 | C2 | H32 | 47.2° | 60.0° |
| S1 | C3 | C2 | H33 | 71.3° | 60.0° |
| S1 | C3 | H34 | H35 | 120.4° | 120.0° |
| S1 | C22 | C27 | C28 | 2.8° | 0.3° |
| S1 | C22 | C27 | O17 | 179.8° | 180.0° |
| S1 | C22 | C27 | C25 | 180.0° | 180.0° |
| C22 | S1 | C3 | H34 | 172.3° | 60.0° |
| C22 | S1 | C3 | H35 | 52.1° | 60.0° |
| C26 | C28 | C27 | H45 | 120.5° | 120.4° |
| C26 | C28 | C27 | H46 | 120.5° | 119.9° |
| C26 | C28 | C27 | C22 | 156.2° | 162.7° |
| C28 | C26 | C24 | H43 | 121.3° | 119.9° |
| C28 | C26 | C24 | H44 | 121.2° | 119.7° |
| C26 | C28 | C27 | C25 | 20.9° | 17.7° |
| C28 | C26 | C24 | C23 | 45.8° | 68.2° |
| C28 | C26 | C24 | H41 | 74.3° | 172.1° |
| C28 | C26 | C24 | H42 | 165.9° | 51.6° |
| C28 | C26 | H43 | H44 | 116.0° | 120.6° |
| C26 | C28 | H45 | H46 | 118.3° | 119.6° |
| C28 | C27 | C22 | C25 | 177.2° | 179.7° |
| C28 | C27 | C22 | O17 | 177.0° | 179.7° |
| C27 | C28 | C26 | C24 | 28.9° | 50.1° |
| C28 | C27 | C25 | C23 | 31.8° | 0.7° |
| C28 | C27 | C25 | H37 | 148.2° | 179.3° |
| C27 | C28 | C26 | H43 | 150.1° | 69.6° |
| C27 | C28 | C26 | H44 | 92.4° | 169.7° |
| C27 | C28 | H45 | H46 | 118.3° | 119.6° |
| C22 | C27 | C25 | C23 | 145.3° | 179.6° |
| C22 | C27 | C25 | H37 | 34.7° | 0.4° |
| C22 | C27 | C28 | H45 | 35.7° | 77.0° |
| C22 | C27 | C28 | H46 | 83.2° | 42.7° |
| O17 | C22 | C27 | C25 | 0.2° | 0.0° |
| C26 | C24 | C23 | H41 | 120.1° | 119.7° |
| C26 | C24 | C23 | H42 | 120.1° | 119.9° |
| C26 | C24 | C23 | C25 | 52.6° | 49.8° |
| C26 | C24 | C23 | H39 | 172.9° | 70.4° |
| C26 | C24 | C23 | H40 | 67.7° | 169.9° |
| C26 | C24 | H41 | H42 | 119.7° | 120.6° |
| C24 | C26 | H43 | H44 | 116.1° | 120.4° |
| C24 | C26 | C28 | H45 | 149.4° | 70.5° |
| C24 | C26 | C28 | H46 | 91.7° | 170.0° |
| C27 | C25 | C23 | C24 | 48.0° | 17.2° |
| C27 | C25 | C23 | H37 | 180.0° | 179.9° |
| C27 | C25 | C23 | H39 | 168.3° | 103.0° |
| C27 | C25 | C23 | H40 | 72.3° | 137.2° |
| C25 | C27 | C28 | H45 | 141.4° | 102.7° |
| C25 | C27 | C28 | H46 | 99.7° | 137.6° |
| C24 | C23 | C25 | H39 | 120.3° | 120.2° |
| C24 | C23 | C25 | H40 | 120.3° | 120.0° |
| C24 | C23 | C25 | H37 | 131.9° | 162.9° |
| C24 | C23 | H39 | H40 | 119.0° | 119.6° |
| C23 | C24 | H41 | H42 | 119.7° | 120.4° |
| C23 | C24 | C26 | H43 | 167.1° | 51.6° |
| C23 | C24 | C26 | H44 | 75.4° | 172.1° |
| C25 | C23 | H39 | H40 | 119.1° | 119.8° |
| C25 | C23 | C24 | H41 | 67.5° | 169.5° |
| C25 | C23 | C24 | H42 | 172.7° | 70.1° |
| H1 | O3 | C7 | H7 | 63.1° | 179.9° |
| H2 | C4 | C5 | H4 | 65.4° | 60.0° |
| H2 | C4 | C5 | H5 | 55.4° | 180.0° |
| H3 | C4 | C5 | H4 | 175.4° | 180.0° |
| H3 | C4 | C5 | H5 | 63.8° | 60.0° |
| H4 | C5 | N2 | H8 | 15.3° | 120.0° |
| H5 | C5 | N2 | H8 | 136.1° | 120.1° |
| H6 | N1 | C2 | H32 | 16.5° | 120.0° |
| H6 | N1 | C2 | H33 | 135.1° | 120.0° |
| H9 | C9 | H10 | H11 | 120.0° | 119.9° |
| H13 | C10 | H14 | H15 | 120.0° | 120.0° |
| H18 | C12 | C13 | H20 | 66.0° | 65.4° |
| H19 | C12 | C13 | H20 | 53.5° | 174.6° |
| H20 | C13 | C21 | H26 | 90.2° | 123.6° |
| H21 | C14 | C20 | H27 | 163.9° | 160.3° |
| H26 | C21 | C20 | H27 | 44.0° | 21.4° |
| H27 | C20 | O12 | H28 | 57.2° | 56.4° |
| H32 | C2 | C3 | H34 | 167.1° | 180.0° |
| H32 | C2 | C3 | H35 | 72.6° | 60.0° |
| H33 | C2 | C3 | H34 | 48.5° | 60.0° |
| H33 | C2 | C3 | H35 | 168.8° | 180.0° |
| H37 | C25 | C23 | H39 | 11.6° | 77.0° |
| H37 | C25 | C23 | H40 | 107.8° | 42.8° |
| H39 | C23 | C24 | H41 | 52.8° | 49.3° |
| H39 | C23 | C24 | H42 | 67.0° | 169.7° |
| H40 | C23 | C24 | H41 | 172.2° | 70.4° |
| H40 | C23 | C24 | H42 | 52.4° | 50.0° |
| H41 | C24 | C26 | H43 | 47.0° | 68.0° |
| H41 | C24 | C26 | H44 | 164.5° | 52.4° |
| H42 | C24 | C26 | H43 | 72.8° | 171.5° |
| H42 | C24 | C26 | H44 | 44.7° | 68.1° |
| H43 | C26 | C28 | H45 | 89.3° | 169.7° |
| H43 | C26 | C28 | H46 | 29.6° | 50.2° |
| H44 | C26 | C28 | H45 | 28.2° | 49.1° |
| H44 | C26 | C28 | H46 | 147.1° | 70.4° |
