XF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| O2 | C11 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C11 | N4 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N4 | sing | 1.41Å | 1.41Å | |
| C12 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| N4 | C38 | sing | 1.47Å | 1.45Å | |
| O17 | C37 | doub | 1.21Å | 1.21Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N5 | sing | 1.40Å | 1.41Å | |
| C8 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.50Å | 1.48Å | |
| C38 | C35 | sing | 1.51Å | 1.51Å | |
| C37 | N12 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C35 | sing | 1.36Å | 1.34Å | |
| N5 | C20 | sing | 1.46Å | 1.47Å | |
| C35 | N11 | doub | 1.31Å | 1.28Å | |
| N12 | C36 | sing | 1.34Å | 1.35Å | |
| C5 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.49Å | |
| O3 | C21 | sing | 1.43Å | 1.39Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| N11 | C36 | sing | 1.34Å | 1.31Å | |
| O1 | C4 | doub | 1.22Å | 1.22Å | |
| C36 | O16 | doub | 1.22Å | 1.20Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| N2 | C3 | doub | 1.30Å | 1.29Å | Aromatic |
| N2 | N1 | sing | 1.26Å | 1.39Å | Aromatic |
| O14 | C33 | sing | 1.43Å | 1.41Å | |
| C3 | N3 | sing | 1.39Å | 1.36Å | |
| C3 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C22 | O4 | sing | 1.43Å | 1.40Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | doub | 1.29Å | 1.29Å | Aromatic |
| O11 | P2 | doub | 1.48Å | 1.47Å | |
| C33 | C34 | sing | 1.55Å | 1.53Å | |
| C33 | C27 | sing | 1.55Å | 1.52Å | |
| S1 | C2 | sing | 1.76Å | 1.72Å | Aromatic |
| O5 | C23 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| C34 | O15 | sing | 1.43Å | 1.42Å | |
| C34 | C26 | sing | 1.54Å | 1.53Å | |
| C28 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C28 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| N7 | C29 | sing | 1.36Å | 1.38Å | Aromatic |
| O10 | P2 | sing | 1.61Å | 1.47Å | |
| P2 | O9 | sing | 1.61Å | 1.58Å | |
| P2 | O12 | sing | 1.61Å | 1.57Å | |
| C24 | O6 | sing | 1.43Å | 1.44Å | |
| N6 | C27 | sing | 1.46Å | 1.45Å | |
| N6 | C32 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | O13 | sing | 1.44Å | 1.40Å | |
| C29 | C32 | doub | 1.41Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| N8 | C30 | sing | 1.38Å | 1.32Å | |
| C32 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | O13 | sing | 1.44Å | 1.44Å | |
| C30 | N9 | doub | 1.33Å | 1.35Å | Aromatic |
| C25 | O12 | sing | 1.43Å | 1.42Å | |
| O9 | P1 | sing | 1.61Å | 1.58Å | |
| N10 | C31 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C31 | sing | 1.32Å | 1.33Å | Aromatic |
| O6 | P1 | sing | 1.61Å | 1.57Å | |
| P1 | O8 | doub | 1.48Å | 1.48Å | |
| P1 | O7 | sing | 1.61Å | 1.48Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| C40 | H39 | sing | 1.08Å | 1.08Å | |
| N12 | H41 | sing | 0.97Å | 1.00Å | |
| N8 | H42 | sing | 0.97Å | 1.00Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| O10 | H44 | sing | 0.97Å | 0.95Å | |
| O14 | H45 | sing | 0.97Å | 0.95Å | |
| O15 | H46 | sing | 0.97Å | 0.95Å | |
| O3 | H47 | sing | 0.97Å | 0.95Å | |
| O4 | H48 | sing | 0.97Å | 0.95Å | |
| O5 | H49 | sing | 0.97Å | 0.95Å | |
| O7 | H50 | sing | 0.97Å | 0.95Å | |
| C38 | H8 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 119.8° | 119.9° |
| C15 | C14 | C16 | 120.8° | 119.9° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C14 | C15 | H17 | 109.5° | 109.5° |
| O2 | C11 | C10 | 121.4° | 120.0° |
| O2 | C11 | N4 | 121.1° | 120.0° |
| C13 | C14 | C16 | 119.4° | 120.2° |
| C14 | C13 | C12 | 120.4° | 119.7° |
| C14 | C13 | H7 | 119.8° | 120.1° |
| C14 | C16 | C17 | 120.1° | 119.8° |
| C14 | C16 | C18 | 119.8° | 120.3° |
| C13 | C12 | N4 | 120.0° | 120.8° |
| C13 | C12 | C19 | 120.6° | 120.3° |
| C12 | C13 | H7 | 119.8° | 120.1° |
| C11 | C10 | C9 | 111.3° | 109.4° |
| C10 | C11 | N4 | 117.5° | 120.0° |
| C11 | C10 | H5 | 109.0° | 109.5° |
| C11 | C10 | H6 | 109.0° | 109.4° |
| C10 | C9 | C8 | 111.7° | 109.4° |
| C10 | C9 | H3 | 108.9° | 109.4° |
| C10 | C9 | H4 | 108.9° | 109.4° |
| C9 | C10 | H5 | 109.0° | 109.5° |
| C9 | C10 | H6 | 109.0° | 109.5° |
| C11 | N4 | C12 | 119.5° | 121.8° |
| C11 | N4 | C38 | 118.2° | 121.8° |
| C17 | C16 | C18 | 120.1° | 119.8° |
| C16 | C17 | H18 | 109.5° | 109.4° |
| C16 | C17 | H19 | 109.4° | 109.5° |
| C16 | C17 | H20 | 109.5° | 109.5° |
| C16 | C18 | C19 | 120.6° | 120.0° |
| C16 | C18 | H21 | 119.7° | 120.0° |
| N4 | C12 | C19 | 119.4° | 118.8° |
| C12 | N4 | C38 | 122.2° | 116.5° |
| C12 | C19 | C18 | 119.2° | 119.5° |
| C12 | C19 | N5 | 119.7° | 120.2° |
| C9 | C8 | C7 | 120.9° | 119.8° |
| C9 | C8 | C39 | 120.8° | 119.9° |
| C8 | C9 | H3 | 108.9° | 109.5° |
| C8 | C9 | H4 | 108.9° | 109.5° |
| N4 | C38 | C37 | 111.7° | 111.7° |
| N4 | C38 | C35 | 114.0° | 108.8° |
| N4 | C38 | H8 | 108.2° | 107.9° |
| O17 | C37 | C38 | 123.3° | 119.7° |
| O17 | C37 | N12 | 120.8° | 119.7° |
| C8 | C7 | C6 | 120.9° | 120.2° |
| C7 | C8 | C39 | 118.3° | 120.3° |
| C8 | C7 | H2 | 119.6° | 119.9° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H1 | 119.8° | 120.1° |
| C6 | C7 | H2 | 119.6° | 119.9° |
| C18 | C19 | N5 | 121.1° | 120.3° |
| C19 | C18 | H21 | 119.7° | 120.0° |
| C19 | N5 | C35 | 121.7° | 120.1° |
| C19 | N5 | C20 | 119.2° | 119.9° |
| C8 | C39 | C40 | 121.2° | 120.2° |
| C8 | C39 | H38 | 119.4° | 119.9° |
| C37 | C38 | C35 | 107.4° | 110.9° |
| C38 | C37 | N12 | 115.8° | 120.6° |
| C37 | C38 | H8 | 107.8° | 108.8° |
| C38 | C35 | N5 | 119.0° | 119.0° |
| C38 | C35 | N11 | 121.5° | 120.9° |
| C35 | C38 | H8 | 107.5° | 108.7° |
| C37 | N12 | C36 | 119.8° | 120.9° |
| C37 | N12 | H41 | 120.1° | 119.5° |
| C6 | C5 | C40 | 118.9° | 119.7° |
| C6 | C5 | C4 | 122.9° | 120.2° |
| C5 | C6 | H1 | 119.8° | 120.1° |
| C39 | C40 | C5 | 120.2° | 119.8° |
| C40 | C39 | H38 | 119.4° | 119.9° |
| C39 | C40 | H39 | 119.9° | 120.1° |
| C35 | N5 | C20 | 119.1° | 119.9° |
| N5 | C35 | N11 | 119.5° | 120.0° |
| N5 | C20 | C21 | 112.1° | 109.4° |
| N5 | C20 | H23 | 108.8° | 109.5° |
| N5 | C20 | H24 | 108.8° | 109.5° |
| C35 | N11 | C36 | 117.5° | 122.3° |
| N12 | C36 | N11 | 123.1° | 121.9° |
| N12 | C36 | O16 | 118.0° | 119.0° |
| C36 | N12 | H41 | 120.1° | 119.6° |
| C40 | C5 | C4 | 118.2° | 120.1° |
| C5 | C40 | H39 | 119.9° | 120.1° |
| C5 | C4 | O1 | 122.2° | 120.0° |
| C5 | C4 | N3 | 117.3° | 120.0° |
| O3 | C21 | C20 | 107.4° | 109.5° |
| O3 | C21 | C22 | 108.1° | 109.5° |
| O3 | C21 | H25 | 111.7° | 109.5° |
| C21 | O3 | H47 | 109.5° | 114.0° |
| C20 | C21 | C22 | 109.5° | 109.5° |
| C21 | C20 | H23 | 108.8° | 109.4° |
| C21 | C20 | H24 | 108.8° | 109.5° |
| C20 | C21 | H25 | 110.2° | 109.4° |
| N11 | C36 | O16 | 118.9° | 119.1° |
| O1 | C4 | N3 | 120.5° | 120.0° |
| C4 | N3 | C3 | 124.5° | 120.0° |
| C4 | N3 | H11 | 117.7° | 120.0° |
| C21 | C22 | O4 | 109.0° | 109.5° |
| C21 | C22 | C23 | 113.3° | 109.5° |
| C22 | C21 | H25 | 109.8° | 109.5° |
| C21 | C22 | H26 | 108.2° | 109.5° |
| C3 | N2 | N1 | 109.9° | 117.7° |
| N2 | C3 | N3 | 122.1° | 126.2° |
| N2 | C3 | S1 | 112.9° | 107.6° |
| N2 | N1 | C2 | 112.0° | 117.9° |
| O14 | C33 | C34 | 111.5° | 110.9° |
| O14 | C33 | C27 | 110.1° | 110.9° |
| O14 | C33 | H36 | 112.5° | 110.8° |
| C33 | O14 | H45 | 109.5° | 114.0° |
| N3 | C3 | S1 | 124.8° | 126.2° |
| C3 | N3 | H11 | 117.8° | 120.0° |
| C3 | S1 | C2 | 85.0° | 88.9° |
| O4 | C22 | C23 | 108.0° | 109.5° |
| O4 | C22 | H26 | 109.9° | 109.5° |
| C22 | O4 | H48 | 109.5° | 114.0° |
| C22 | C23 | O5 | 108.5° | 109.5° |
| C22 | C23 | C24 | 111.2° | 109.5° |
| C23 | C22 | H26 | 108.3° | 109.5° |
| C22 | C23 | H27 | 109.3° | 109.5° |
| N1 | C2 | S1 | 113.5° | 107.9° |
| N1 | C2 | C1 | 123.8° | 126.1° |
| O11 | P2 | O10 | 118.7° | 109.5° |
| O11 | P2 | O9 | 108.4° | 109.5° |
| O11 | P2 | O12 | 108.7° | 109.5° |
| C34 | C33 | C27 | 100.7° | 102.1° |
| C33 | C34 | O15 | 111.4° | 110.5° |
| C33 | C34 | C26 | 104.0° | 104.2° |
| C34 | C33 | H36 | 110.7° | 110.9° |
| C33 | C34 | H37 | 110.0° | 110.5° |
| C33 | C27 | N6 | 114.5° | 110.8° |
| C33 | C27 | O13 | 104.1° | 103.5° |
| C33 | C27 | H33 | 109.1° | 110.6° |
| C27 | C33 | H36 | 110.8° | 110.9° |
| S1 | C2 | C1 | 122.7° | 126.1° |
| O5 | C23 | C24 | 107.5° | 109.5° |
| O5 | C23 | H27 | 110.8° | 109.5° |
| C23 | O5 | H49 | 109.5° | 114.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| O15 | C34 | C26 | 109.7° | 110.5° |
| O15 | C34 | H37 | 111.6° | 110.5° |
| C34 | O15 | H46 | 109.5° | 114.0° |
| C34 | C26 | C25 | 115.5° | 109.9° |
| C34 | C26 | O13 | 105.8° | 107.3° |
| C34 | C26 | H32 | 108.5° | 110.0° |
| C26 | C34 | H37 | 109.9° | 110.5° |
| N7 | C28 | N6 | 113.5° | 110.0° |
| C28 | N7 | C29 | 104.1° | 109.5° |
| N7 | C28 | H34 | 123.3° | 125.1° |
| C28 | N6 | C27 | 127.4° | 126.3° |
| C28 | N6 | C32 | 106.2° | 107.4° |
| N6 | C28 | H34 | 123.3° | 125.0° |
| C23 | C24 | O6 | 111.7° | 109.5° |
| C24 | C23 | H27 | 109.6° | 109.5° |
| C23 | C24 | H28 | 108.9° | 109.5° |
| C23 | C24 | H29 | 108.9° | 109.5° |
| N7 | C29 | C32 | 110.7° | 107.1° |
| N7 | C29 | C30 | 132.2° | 134.7° |
| O10 | P2 | O9 | 111.2° | 109.5° |
| O10 | P2 | O12 | 109.1° | 109.5° |
| P2 | O10 | H44 | 109.5° | 114.0° |
| O9 | P2 | O12 | 98.8° | 109.4° |
| P2 | O9 | P1 | 138.1° | 134.0° |
| P2 | O12 | C25 | 116.8° | 123.0° |
| C24 | O6 | P1 | 116.9° | 123.0° |
| O6 | C24 | H28 | 108.9° | 109.4° |
| O6 | C24 | H29 | 108.9° | 109.4° |
| C27 | N6 | C32 | 126.4° | 126.3° |
| N6 | C27 | O13 | 108.1° | 110.6° |
| N6 | C27 | H33 | 110.0° | 110.6° |
| N6 | C32 | C29 | 105.6° | 106.0° |
| N6 | C32 | N10 | 127.6° | 134.9° |
| C27 | O13 | C26 | 107.9° | 107.0° |
| O13 | C27 | H33 | 110.8° | 110.6° |
| C32 | C29 | C30 | 117.1° | 118.1° |
| C29 | C32 | N10 | 126.9° | 119.1° |
| C29 | C30 | N8 | 123.5° | 120.7° |
| C29 | C30 | N9 | 117.4° | 118.5° |
| N8 | C30 | N9 | 119.1° | 120.8° |
| C30 | N8 | H42 | 109.5° | 120.0° |
| C30 | N8 | H43 | 109.4° | 120.0° |
| C32 | N10 | C31 | 110.7° | 120.6° |
| C25 | C26 | O13 | 108.2° | 109.9° |
| C26 | C25 | O12 | 107.7° | 109.5° |
| C26 | C25 | H30 | 109.9° | 109.5° |
| C26 | C25 | H31 | 109.9° | 109.5° |
| C25 | C26 | H32 | 108.9° | 109.9° |
| O13 | C26 | H32 | 109.7° | 109.9° |
| C30 | N9 | C31 | 118.8° | 121.2° |
| O12 | C25 | H30 | 109.9° | 109.5° |
| O12 | C25 | H31 | 109.9° | 109.4° |
| O9 | P1 | O6 | 97.2° | 109.5° |
| O9 | P1 | O8 | 112.4° | 109.5° |
| O9 | P1 | O7 | 109.9° | 109.5° |
| N10 | C31 | N9 | 129.1° | 122.5° |
| N10 | C31 | H35 | 115.5° | 118.7° |
| N9 | C31 | H35 | 115.4° | 118.8° |
| O6 | P1 | O8 | 107.2° | 109.5° |
| O6 | P1 | O7 | 108.2° | 109.5° |
| O8 | P1 | O7 | 119.6° | 109.5° |
| P1 | O7 | H50 | 109.5° | 114.0° |
| H3 | C9 | H4 | 109.4° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H17 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H18 | C17 | H19 | 109.4° | 109.5° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.4° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H42 | N8 | H43 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | C16 | 179.9° | 179.6° |
| C15 | C14 | C13 | C12 | 179.7° | 179.7° |
| C15 | C14 | C16 | C17 | 0.4° | 0.7° |
| C15 | C14 | C16 | C18 | 179.9° | 179.4° |
| C15 | C14 | C13 | H7 | 0.3° | 0.4° |
| C14 | C15 | H15 | H16 | 120.0° | 120.1° |
| C14 | C15 | H15 | H17 | 120.0° | 120.0° |
| C14 | C15 | H16 | H17 | 120.0° | 120.0° |
| O2 | C11 | C10 | N4 | 177.8° | 180.0° |
| O2 | C11 | C10 | C9 | 110.4° | 22.7° |
| O2 | C11 | N4 | C12 | 60.6° | 173.4° |
| O2 | C11 | N4 | C38 | 122.3° | 6.6° |
| O2 | C11 | C10 | H5 | 9.8° | 142.7° |
| O2 | C11 | C10 | H6 | 129.3° | 97.3° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C13 | C14 | C16 | C17 | 179.7° | 179.7° |
| C13 | C14 | C16 | C18 | 0.2° | 0.2° |
| C14 | C13 | C12 | N4 | 179.3° | 179.2° |
| C14 | C13 | C12 | C19 | 0.9° | 0.6° |
| C13 | C14 | C15 | H15 | 89.9° | 90.0° |
| C13 | C14 | C15 | H16 | 150.0° | 150.0° |
| C13 | C14 | C15 | H17 | 30.0° | 30.1° |
| C16 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C16 | C17 | C18 | 179.6° | 179.9° |
| C14 | C16 | C18 | C19 | 0.3° | 0.1° |
| C16 | C14 | C13 | H7 | 179.8° | 180.0° |
| C16 | C14 | C15 | H15 | 90.0° | 89.7° |
| C16 | C14 | C15 | H16 | 30.0° | 30.4° |
| C16 | C14 | C15 | H17 | 150.1° | 150.3° |
| C14 | C16 | C17 | H18 | 90.2° | 90.0° |
| C14 | C16 | C17 | H19 | 149.8° | 149.9° |
| C14 | C16 | C17 | H20 | 29.8° | 29.9° |
| C14 | C16 | C18 | H21 | 179.7° | 179.9° |
| C13 | C12 | N4 | C11 | 6.1° | 28.1° |
| C13 | C12 | N4 | C19 | 178.4° | 179.8° |
| C13 | C12 | N4 | C38 | 177.0° | 152.0° |
| C13 | C12 | C19 | C18 | 1.3° | 0.9° |
| C13 | C12 | C19 | N5 | 179.9° | 178.0° |
| C11 | C10 | C9 | H5 | 120.3° | 120.0° |
| C11 | C10 | C9 | H6 | 120.3° | 120.0° |
| C10 | C11 | N4 | C12 | 121.6° | 6.6° |
| C11 | C10 | C9 | C8 | 116.8° | 180.0° |
| C10 | C11 | N4 | C38 | 55.5° | 173.4° |
| C11 | C10 | C9 | H3 | 3.6° | 60.0° |
| C11 | C10 | C9 | H4 | 122.9° | 60.0° |
| C11 | C10 | H5 | H6 | 119.1° | 120.0° |
| C9 | C10 | C11 | N4 | 67.3° | 157.3° |
| C10 | C9 | C8 | H3 | 120.4° | 119.9° |
| C10 | C9 | C8 | H4 | 120.3° | 120.0° |
| C10 | C9 | C8 | C7 | 10.9° | 90.0° |
| C10 | C9 | C8 | C39 | 170.1° | 90.0° |
| C10 | C9 | H3 | H4 | 119.0° | 120.0° |
| C9 | C10 | H5 | H6 | 119.2° | 120.1° |
| C11 | N4 | C12 | C38 | 176.9° | 180.0° |
| C11 | N4 | C12 | C19 | 172.4° | 152.1° |
| C11 | N4 | C38 | C37 | 55.5° | 11.1° |
| C11 | N4 | C38 | C35 | 177.5° | 133.8° |
| N4 | C11 | C10 | H5 | 172.4° | 37.3° |
| N4 | C11 | C10 | H6 | 52.9° | 82.7° |
| C11 | N4 | C38 | H8 | 63.0° | 108.4° |
| C17 | C16 | C18 | C19 | 179.3° | 180.0° |
| C16 | C17 | H18 | H19 | 120.0° | 120.0° |
| C16 | C17 | H18 | H20 | 120.0° | 120.0° |
| C16 | C17 | H19 | H20 | 120.0° | 120.0° |
| C17 | C16 | C18 | H21 | 0.7° | 0.0° |
| C16 | C18 | C19 | C12 | 1.0° | 0.7° |
| C16 | C18 | C19 | H21 | 180.0° | 180.0° |
| C16 | C18 | C19 | N5 | 179.7° | 178.3° |
| C18 | C16 | C17 | H18 | 90.2° | 90.1° |
| C18 | C16 | C17 | H19 | 29.8° | 30.0° |
| C18 | C16 | C17 | H20 | 149.8° | 150.0° |
| N4 | C12 | C19 | C18 | 179.7° | 178.9° |
| N4 | C12 | C19 | N5 | 1.5° | 2.1° |
| C12 | N4 | C38 | C37 | 127.5° | 168.9° |
| C12 | N4 | C38 | C35 | 5.6° | 46.1° |
| N4 | C12 | C13 | H7 | 0.7° | 0.7° |
| C12 | N4 | C38 | H8 | 114.0° | 71.6° |
| C19 | C12 | N4 | C38 | 4.6° | 27.9° |
| C12 | C19 | C18 | N5 | 178.7° | 179.0° |
| C12 | C19 | N5 | C35 | 13.6° | 9.9° |
| C12 | C19 | N5 | C20 | 165.5° | 170.1° |
| C19 | C12 | C13 | H7 | 179.1° | 179.5° |
| C12 | C19 | C18 | H21 | 179.0° | 179.4° |
| C9 | C8 | C7 | C39 | 179.0° | 180.0° |
| C9 | C8 | C7 | C6 | 178.9° | 179.9° |
| C9 | C8 | C39 | C40 | 179.1° | 179.9° |
| C9 | C8 | C7 | H2 | 1.1° | 0.1° |
| C8 | C9 | H3 | H4 | 119.0° | 120.1° |
| C8 | C9 | C10 | H5 | 123.0° | 60.0° |
| C8 | C9 | C10 | H6 | 3.5° | 60.1° |
| C9 | C8 | C39 | H38 | 0.9° | 0.0° |
| N4 | C38 | C37 | O17 | 14.1° | 44.3° |
| N4 | C38 | C37 | C35 | 125.7° | 121.5° |
| N4 | C38 | C37 | H8 | 118.8° | 119.0° |
| N4 | C38 | C35 | H8 | 119.9° | 117.3° |
| N4 | C38 | C37 | N12 | 163.6° | 135.8° |
| N4 | C38 | C35 | N5 | 19.9° | 39.1° |
| N4 | C38 | C35 | N11 | 160.5° | 139.1° |
| O17 | C37 | C38 | N12 | 177.7° | 179.9° |
| O17 | C37 | C38 | C35 | 139.8° | 165.8° |
| O17 | C37 | N12 | C36 | 162.3° | 177.1° |
| O17 | C37 | N12 | H41 | 17.7° | 2.9° |
| O17 | C37 | C38 | H8 | 104.6° | 74.8° |
| C8 | C7 | C6 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.5° | 0.1° |
| C7 | C8 | C39 | C40 | 0.2° | 0.1° |
| C8 | C7 | C6 | H1 | 179.5° | 180.0° |
| C7 | C8 | C9 | H3 | 131.3° | 150.0° |
| C7 | C8 | C9 | H4 | 109.4° | 29.9° |
| C7 | C8 | C39 | H38 | 179.8° | 180.0° |
| C6 | C7 | C8 | C39 | 0.1° | 0.1° |
| C7 | C6 | C5 | H1 | 180.0° | 179.9° |
| C7 | C6 | C5 | C40 | 0.6° | 0.1° |
| C7 | C6 | C5 | C4 | 179.3° | 179.7° |
| C18 | C19 | N5 | C35 | 165.1° | 171.1° |
| C18 | C19 | N5 | C20 | 15.8° | 8.9° |
| C19 | N5 | C35 | C38 | 24.5° | 12.5° |
| C19 | N5 | C35 | C20 | 179.1° | 180.0° |
| C19 | N5 | C35 | N11 | 155.9° | 165.8° |
| C19 | N5 | C20 | C21 | 98.4° | 90.0° |
| N5 | C19 | C18 | H21 | 0.3° | 1.7° |
| C19 | N5 | C20 | H23 | 141.2° | 30.0° |
| C19 | N5 | C20 | H24 | 22.0° | 150.0° |
| C8 | C39 | C40 | H38 | 180.0° | 179.9° |
| C8 | C39 | C40 | C5 | 0.0° | 0.1° |
| C39 | C8 | C7 | H2 | 180.0° | 180.0° |
| C39 | C8 | C9 | H3 | 49.8° | 30.0° |
| C39 | C8 | C9 | H4 | 69.5° | 150.1° |
| C8 | C39 | C40 | H39 | 180.0° | 179.7° |
| C37 | C38 | C35 | H8 | 115.8° | 119.5° |
| C37 | C38 | C35 | N5 | 144.1° | 162.3° |
| C37 | C38 | C35 | N11 | 36.2° | 16.0° |
| C38 | C37 | N12 | C36 | 15.5° | 3.0° |
| C38 | C37 | N12 | H41 | 164.5° | 177.0° |
| C35 | C38 | C37 | N12 | 37.9° | 14.3° |
| C38 | C35 | N5 | N11 | 179.6° | 178.3° |
| C38 | C35 | N5 | C20 | 154.6° | 167.6° |
| C38 | C35 | N11 | C36 | 8.4° | 6.0° |
| C37 | N12 | C36 | H41 | 180.0° | 180.0° |
| C37 | N12 | C36 | N11 | 17.2° | 9.1° |
| C37 | N12 | C36 | O16 | 163.2° | 171.0° |
| N12 | C37 | C38 | H8 | 77.7° | 105.1° |
| C6 | C5 | C40 | C39 | 0.4° | 0.1° |
| C6 | C5 | C40 | C4 | 178.8° | 179.7° |
| C6 | C5 | C4 | O1 | 4.0° | 180.0° |
| C6 | C5 | C4 | N3 | 174.4° | 0.3° |
| C5 | C6 | C7 | H2 | 179.6° | 180.0° |
| C6 | C5 | C40 | H39 | 179.7° | 179.7° |
| C39 | C40 | C5 | H39 | 180.0° | 179.6° |
| C39 | C40 | C5 | C4 | 179.1° | 179.7° |
| C35 | N5 | C20 | C21 | 82.5° | 90.0° |
| N5 | C35 | N11 | C36 | 172.0° | 172.2° |
| C35 | N5 | C20 | H23 | 37.9° | 150.0° |
| C35 | N5 | C20 | H24 | 157.1° | 30.0° |
| N5 | C35 | C38 | H8 | 100.1° | 78.2° |
| C20 | N5 | C35 | N11 | 25.0° | 14.2° |
| N5 | C20 | C21 | O3 | 46.6° | 60.0° |
| N5 | C20 | C21 | H23 | 120.4° | 119.9° |
| N5 | C20 | C21 | H24 | 120.4° | 120.0° |
| N5 | C20 | C21 | C22 | 163.8° | 180.0° |
| N5 | C20 | H23 | H24 | 118.8° | 120.1° |
| N5 | C20 | C21 | H25 | 75.3° | 60.0° |
| C35 | N11 | C36 | N12 | 20.8° | 7.6° |
| C35 | N11 | C36 | O16 | 159.6° | 172.5° |
| N11 | C35 | C38 | H8 | 79.5° | 103.6° |
| N12 | C36 | N11 | O16 | 179.6° | 179.9° |
| C40 | C5 | C4 | O1 | 177.3° | 0.3° |
| C40 | C5 | C4 | N3 | 4.3° | 179.9° |
| C40 | C5 | C6 | H1 | 179.4° | 180.0° |
| C5 | C40 | C39 | H38 | 180.0° | 180.0° |
| C5 | C4 | O1 | N3 | 178.4° | 179.7° |
| C5 | C4 | N3 | C3 | 81.9° | 180.0° |
| C4 | C5 | C6 | H1 | 0.7° | 0.3° |
| C5 | C4 | N3 | H11 | 98.0° | 0.1° |
| C4 | C5 | C40 | H39 | 0.9° | 0.0° |
| O3 | C21 | C20 | C22 | 117.2° | 120.1° |
| O3 | C21 | C20 | H25 | 121.9° | 120.0° |
| O3 | C21 | C22 | H25 | 122.1° | 120.0° |
| O3 | C21 | C22 | O4 | 161.0° | 180.0° |
| O3 | C21 | C22 | C23 | 78.7° | 60.0° |
| O3 | C21 | C20 | H23 | 167.0° | 60.0° |
| O3 | C21 | C20 | H24 | 73.8° | 180.0° |
| O3 | C21 | C22 | H26 | 41.4° | 60.0° |
| C20 | C21 | C22 | H25 | 121.1° | 119.9° |
| C20 | C21 | C22 | O4 | 44.2° | 60.0° |
| C20 | C21 | C22 | C23 | 164.5° | 180.0° |
| C21 | C20 | H23 | H24 | 118.8° | 120.0° |
| C20 | C21 | C22 | H26 | 75.3° | 60.0° |
| C20 | C21 | O3 | H47 | 180.0° | 60.0° |
| N11 | C36 | N12 | H41 | 162.8° | 170.9° |
| O1 | C4 | N3 | C3 | 96.6° | 0.4° |
| O1 | C4 | N3 | H11 | 83.5° | 179.7° |
| O16 | C36 | N12 | H41 | 16.8° | 9.0° |
| C4 | N3 | C3 | N2 | 52.9° | 0.1° |
| C4 | N3 | C3 | H11 | 180.0° | 179.9° |
| C4 | N3 | C3 | S1 | 131.4° | 180.0° |
| C21 | C22 | O4 | C23 | 123.5° | 120.0° |
| C21 | C22 | O4 | H26 | 118.5° | 120.0° |
| C21 | C22 | C23 | H26 | 120.1° | 120.0° |
| C21 | C22 | C23 | O5 | 40.1° | 60.0° |
| C21 | C22 | C23 | C24 | 158.1° | 180.0° |
| C22 | C21 | C20 | H23 | 75.8° | 60.1° |
| C22 | C21 | C20 | H24 | 43.4° | 60.0° |
| C21 | C22 | C23 | H27 | 80.8° | 60.0° |
| C22 | C21 | O3 | H47 | 61.9° | 60.0° |
| C21 | C22 | O4 | H48 | 180.0° | 60.1° |
| N2 | C3 | N3 | S1 | 175.7° | 179.9° |
| C3 | N2 | N1 | C2 | 12.3° | 0.0° |
| N2 | C3 | S1 | C2 | 24.5° | 0.0° |
| N2 | C3 | N3 | H11 | 127.1° | 180.0° |
| N1 | N2 | C3 | N3 | 150.3° | 179.9° |
| N1 | N2 | C3 | S1 | 25.9° | 0.0° |
| N2 | N1 | C2 | S1 | 6.5° | 0.0° |
| N2 | N1 | C2 | C1 | 172.7° | 180.0° |
| O14 | C33 | C34 | C27 | 116.7° | 118.2° |
| O14 | C33 | C34 | H36 | 126.1° | 123.6° |
| O14 | C33 | C27 | H36 | 125.1° | 123.6° |
| O14 | C33 | C34 | O15 | 26.6° | 20.4° |
| O14 | C33 | C34 | C26 | 144.6° | 139.1° |
| O14 | C33 | C27 | N6 | 83.1° | 86.2° |
| O14 | C33 | C27 | O13 | 159.1° | 155.2° |
| O14 | C33 | C27 | H33 | 40.7° | 36.8° |
| O14 | C33 | C34 | H37 | 97.7° | 102.2° |
| N3 | C3 | S1 | C2 | 151.6° | 179.9° |
| C3 | S1 | C2 | N1 | 16.9° | 0.0° |
| C3 | S1 | C2 | C1 | 162.2° | 179.9° |
| S1 | C3 | N3 | H11 | 48.6° | 0.1° |
| O4 | C22 | C23 | H26 | 119.0° | 120.0° |
| O4 | C22 | C23 | O5 | 160.9° | 180.0° |
| O4 | C22 | C23 | C24 | 81.1° | 60.0° |
| O4 | C22 | C21 | H25 | 76.9° | 60.0° |
| O4 | C22 | C23 | H27 | 40.0° | 60.0° |
| C22 | C23 | O5 | C24 | 120.3° | 120.0° |
| C22 | C23 | O5 | H27 | 120.0° | 120.0° |
| C22 | C23 | C24 | H27 | 121.0° | 120.0° |
| C22 | C23 | C24 | O6 | 143.2° | 175.0° |
| C23 | C22 | C21 | H25 | 43.4° | 60.1° |
| C22 | C23 | C24 | H28 | 22.8° | 55.0° |
| C22 | C23 | C24 | H29 | 96.5° | 65.0° |
| C23 | C22 | O4 | H48 | 56.5° | 59.9° |
| C22 | C23 | O5 | H49 | 180.0° | 59.9° |
| N1 | C2 | S1 | C1 | 179.2° | 179.9° |
| N1 | C2 | C1 | H12 | 0.0° | 89.9° |
| N1 | C2 | C1 | H13 | 120.0° | 150.1° |
| N1 | C2 | C1 | H14 | 120.0° | 30.0° |
| O11 | P2 | O10 | O9 | 126.8° | 120.0° |
| O11 | P2 | O10 | O12 | 125.3° | 120.0° |
| O11 | P2 | O9 | O12 | 113.2° | 120.0° |
| O11 | P2 | O12 | C25 | 105.1° | 55.0° |
| O11 | P2 | O9 | P1 | 163.3° | 45.1° |
| O11 | P2 | O10 | H44 | 0.0° | 179.9° |
| C34 | C33 | C27 | H36 | 117.1° | 118.2° |
| C33 | C34 | O15 | C26 | 114.5° | 114.8° |
| C33 | C34 | O15 | H37 | 123.4° | 122.6° |
| C33 | C34 | C26 | H37 | 117.7° | 118.7° |
| C34 | C33 | C27 | N6 | 159.1° | 155.6° |
| C34 | C33 | C27 | O13 | 41.3° | 37.0° |
| C33 | C34 | C26 | C25 | 113.4° | 121.4° |
| C33 | C34 | C26 | O13 | 6.3° | 2.1° |
| C33 | C34 | C26 | H32 | 124.0° | 117.4° |
| C34 | C33 | C27 | H33 | 77.1° | 81.5° |
| C34 | C33 | O14 | H45 | 180.0° | 61.4° |
| C33 | C34 | O15 | H46 | 180.0° | 61.5° |
| C27 | C33 | C34 | O15 | 90.2° | 97.8° |
| C27 | C33 | C34 | C26 | 27.9° | 20.8° |
| C33 | C27 | N6 | C28 | 45.4° | 90.6° |
| C33 | C27 | N6 | O13 | 115.5° | 114.2° |
| C33 | C27 | N6 | H33 | 123.3° | 123.0° |
| C33 | C27 | N6 | C32 | 135.6° | 89.4° |
| C33 | C27 | O13 | H33 | 117.2° | 118.5° |
| C33 | C27 | O13 | C26 | 39.4° | 40.1° |
| C27 | C33 | C34 | H37 | 145.6° | 139.6° |
| C27 | C33 | O14 | H45 | 69.1° | 174.2° |
| S1 | C2 | C1 | H12 | 179.1° | 90.0° |
| S1 | C2 | C1 | H13 | 59.1° | 30.0° |
| S1 | C2 | C1 | H14 | 60.9° | 150.0° |
| O5 | C23 | C24 | H27 | 120.4° | 120.0° |
| O5 | C23 | C24 | O6 | 98.2° | 65.0° |
| O5 | C23 | C22 | H26 | 80.0° | 60.0° |
| O5 | C23 | C24 | H28 | 141.4° | 175.0° |
| O5 | C23 | C24 | H29 | 22.1° | 55.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| O15 | C34 | C26 | H37 | 123.1° | 122.7° |
| O15 | C34 | C26 | C25 | 127.4° | 119.9° |
| O15 | C34 | C26 | O13 | 112.9° | 120.7° |
| O15 | C34 | C26 | H32 | 4.8° | 1.2° |
| O15 | C34 | C33 | H36 | 152.7° | 144.0° |
| C34 | C26 | O13 | C27 | 20.5° | 26.5° |
| C34 | C26 | C25 | O13 | 118.3° | 117.8° |
| C34 | C26 | C25 | H32 | 122.4° | 121.2° |
| C34 | C26 | O13 | H32 | 116.9° | 119.6° |
| C34 | C26 | C25 | O12 | 74.1° | 175.7° |
| C34 | C26 | C25 | H30 | 45.6° | 55.8° |
| C34 | C26 | C25 | H31 | 166.2° | 64.3° |
| C26 | C34 | C33 | H36 | 89.3° | 97.3° |
| C26 | C34 | O15 | H46 | 65.5° | 176.2° |
| N7 | C28 | N6 | H34 | 180.0° | 179.7° |
| N7 | C28 | N6 | C27 | 179.5° | 180.0° |
| N7 | C28 | N6 | C32 | 0.3° | 0.0° |
| C28 | N7 | C29 | C32 | 0.1° | 0.1° |
| C28 | N7 | C29 | C30 | 179.6° | 180.0° |
| N6 | C28 | N7 | C29 | 0.2° | 0.0° |
| C28 | N6 | C27 | C32 | 179.0° | 180.0° |
| C28 | N6 | C27 | O13 | 70.1° | 23.6° |
| C28 | N6 | C32 | C29 | 0.3° | 0.0° |
| C28 | N6 | C32 | N10 | 179.8° | 179.9° |
| C28 | N6 | C27 | H33 | 168.8° | 146.4° |
| C23 | C24 | O6 | H28 | 120.3° | 120.1° |
| C23 | C24 | O6 | H29 | 120.3° | 120.0° |
| C23 | C24 | O6 | P1 | 172.4° | 180.0° |
| C24 | C23 | C22 | H26 | 38.0° | 60.0° |
| C23 | C24 | H28 | H29 | 119.0° | 120.0° |
| C24 | C23 | O5 | H49 | 59.6° | 60.1° |
| N7 | C29 | C32 | N6 | 0.3° | 0.1° |
| N7 | C29 | C32 | C30 | 179.7° | 179.9° |
| N7 | C29 | C30 | N8 | 0.8° | 0.1° |
| N7 | C29 | C32 | N10 | 179.9° | 180.0° |
| N7 | C29 | C30 | N9 | 179.7° | 180.0° |
| C29 | N7 | C28 | H34 | 179.8° | 179.7° |
| O10 | P2 | O9 | O12 | 114.5° | 120.0° |
| O10 | P2 | O12 | C25 | 25.8° | 65.0° |
| O10 | P2 | O9 | P1 | 31.0° | 75.0° |
| O9 | P2 | O12 | C25 | 141.9° | 175.0° |
| P2 | O9 | P1 | O6 | 129.1° | 160.0° |
| P2 | O9 | P1 | O8 | 17.2° | 40.1° |
| P2 | O9 | P1 | O7 | 118.6° | 80.0° |
| O9 | P2 | O10 | H44 | 126.8° | 60.0° |
| P2 | O12 | C25 | C26 | 130.5° | 180.0° |
| O12 | P2 | O9 | P1 | 83.5° | 165.0° |
| P2 | O12 | C25 | H30 | 10.8° | 60.0° |
| P2 | O12 | C25 | H31 | 109.8° | 60.0° |
| O12 | P2 | O10 | H44 | 125.3° | 59.9° |
| C24 | O6 | P1 | O9 | 41.0° | 175.0° |
| C24 | O6 | P1 | O8 | 75.1° | 55.0° |
| C24 | O6 | P1 | O7 | 154.7° | 65.0° |
| O6 | C24 | C23 | H27 | 22.2° | 55.0° |
| O6 | C24 | H28 | H29 | 119.0° | 119.9° |
| N6 | C27 | O13 | H33 | 120.7° | 122.8° |
| C27 | N6 | C32 | C29 | 179.5° | 180.0° |
| C27 | N6 | C32 | N10 | 0.7° | 0.1° |
| N6 | C27 | O13 | C26 | 161.5° | 158.8° |
| C27 | N6 | C28 | H34 | 0.5° | 0.3° |
| N6 | C27 | C33 | H36 | 42.0° | 37.4° |
| C32 | N6 | C27 | O13 | 108.9° | 156.4° |
| N6 | C32 | C29 | N10 | 179.8° | 179.9° |
| N6 | C32 | C29 | C30 | 179.5° | 180.0° |
| N6 | C32 | N10 | C31 | 179.7° | 179.9° |
| C32 | N6 | C27 | H33 | 12.3° | 33.5° |
| C32 | N6 | C28 | H34 | 179.7° | 179.7° |
| C27 | O13 | C26 | C25 | 144.9° | 145.9° |
| C27 | O13 | C26 | H32 | 96.4° | 93.1° |
| O13 | C27 | C33 | H36 | 75.8° | 81.2° |
| C32 | C29 | C30 | N8 | 179.6° | 180.0° |
| C32 | C29 | C30 | N9 | 0.6° | 0.1° |
| C29 | C32 | N10 | C31 | 0.2° | 0.0° |
| C29 | C30 | N8 | N9 | 178.9° | 179.9° |
| C30 | C29 | C32 | N10 | 0.4° | 0.1° |
| C29 | C30 | N9 | C31 | 0.7° | 0.0° |
| C29 | C30 | N8 | H42 | 179.0° | 0.0° |
| C29 | C30 | N8 | H43 | 59.0° | 179.9° |
| N8 | C30 | N9 | C31 | 179.7° | 180.0° |
| C30 | N8 | H42 | H43 | 120.0° | 179.9° |
| C32 | N10 | C31 | N9 | 0.2° | 0.0° |
| C32 | N10 | C31 | H35 | 179.8° | 180.0° |
| C25 | C26 | O13 | H32 | 118.8° | 121.0° |
| C26 | C25 | O12 | H30 | 119.7° | 120.0° |
| C26 | C25 | O12 | H31 | 119.7° | 120.0° |
| C26 | C25 | H30 | H31 | 120.8° | 120.0° |
| C25 | C26 | C34 | H37 | 4.3° | 2.8° |
| O13 | C26 | C25 | O12 | 167.6° | 66.5° |
| O13 | C26 | C25 | H30 | 72.7° | 173.5° |
| O13 | C26 | C25 | H31 | 47.9° | 53.5° |
| C26 | O13 | C27 | H33 | 77.8° | 78.4° |
| O13 | C26 | C34 | H37 | 124.0° | 116.6° |
| C30 | N9 | C31 | N10 | 0.5° | 0.0° |
| C30 | N9 | C31 | H35 | 179.5° | 180.0° |
| N9 | C30 | N8 | H42 | 0.0° | 179.9° |
| N9 | C30 | N8 | H43 | 120.0° | 0.0° |
| O12 | C25 | H30 | H31 | 120.8° | 120.0° |
| O12 | C25 | C26 | H32 | 48.3° | 54.5° |
| O9 | P1 | O6 | O8 | 116.1° | 120.0° |
| O9 | P1 | O6 | O7 | 113.7° | 120.0° |
| O9 | P1 | O8 | O7 | 131.0° | 120.0° |
| O9 | P1 | O7 | H50 | 132.1° | 60.0° |
| N10 | C31 | N9 | H35 | 180.0° | 179.9° |
| O6 | P1 | O8 | O7 | 123.4° | 120.0° |
| P1 | O6 | C24 | H28 | 67.2° | 60.0° |
| P1 | O6 | C24 | H29 | 52.1° | 60.0° |
| O6 | P1 | O7 | H50 | 123.0° | 60.0° |
| O8 | P1 | O7 | H50 | 0.0° | 179.9° |
| H1 | C6 | C7 | H2 | 0.4° | 0.0° |
| H3 | C9 | C10 | H5 | 116.7° | 60.0° |
| H3 | C9 | C10 | H6 | 123.8° | 180.0° |
| H4 | C9 | C10 | H5 | 2.6° | 180.0° |
| H4 | C9 | C10 | H6 | 116.9° | 60.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H15 | C15 | H16 | H17 | 120.0° | 119.9° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H23 | C20 | C21 | H25 | 45.1° | 180.0° |
| H24 | C20 | C21 | H25 | 164.3° | 60.0° |
| H25 | C21 | C22 | H26 | 163.6° | 179.9° |
| H25 | C21 | O3 | H47 | 59.1° | 179.9° |
| H26 | C22 | C23 | H27 | 159.1° | 180.0° |
| H26 | C22 | O4 | H48 | 61.5° | 180.0° |
| H27 | C23 | C24 | H28 | 98.1° | 65.0° |
| H27 | C23 | C24 | H29 | 142.5° | 175.0° |
| H27 | C23 | O5 | H49 | 60.0° | 180.0° |
| H30 | C25 | C26 | H32 | 168.0° | 65.5° |
| H31 | C25 | C26 | H32 | 71.4° | 174.5° |
| H32 | C26 | C34 | H37 | 118.3° | 123.9° |
| H33 | C27 | C33 | H36 | 165.8° | 160.3° |
| H36 | C33 | C34 | H37 | 28.4° | 21.4° |
| H36 | C33 | O14 | H45 | 54.9° | 62.2° |
| H37 | C34 | O15 | H46 | 56.6° | 61.1° |
| H38 | C39 | C40 | H39 | 0.0° | 0.4° |
