XRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.42Å | Aromatic |
| O3 | C10 | sing | 1.43Å | 1.39Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.55Å | 1.52Å | |
| C10 | N1 | sing | 1.49Å | 1.44Å | |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.54Å | 1.52Å | |
| C15 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.36Å | |
| C11 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C37 | sing | 1.48Å | 1.45Å | |
| O18 | C36 | doub | 1.21Å | 1.20Å | |
| C8 | C37 | sing | 1.54Å | 1.55Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N2 | sing | 1.40Å | 1.41Å | |
| C37 | C36 | sing | 1.50Å | 1.50Å | |
| C37 | C34 | sing | 1.50Å | 1.50Å | |
| C36 | N9 | sing | 1.34Å | 1.32Å | |
| C7 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C34 | sing | 1.36Å | 1.34Å | |
| N2 | C19 | sing | 1.47Å | 1.48Å | |
| C34 | N8 | doub | 1.31Å | 1.28Å | |
| N9 | C35 | sing | 1.34Å | 1.34Å | |
| O2 | C2 | doub | 1.21Å | 1.19Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.46Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| O4 | C20 | sing | 1.43Å | 1.36Å | |
| C2 | O1 | sing | 1.35Å | 1.32Å | |
| C19 | C20 | sing | 1.53Å | 1.49Å | |
| N8 | C35 | sing | 1.34Å | 1.29Å | |
| C35 | O17 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.45Å | 1.45Å | |
| O15 | C32 | sing | 1.43Å | 1.40Å | |
| C21 | O5 | sing | 1.43Å | 1.37Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.55Å | 1.52Å | |
| C32 | C26 | sing | 1.55Å | 1.51Å | |
| O12 | P2 | doub | 1.48Å | 1.45Å | |
| O6 | C22 | sing | 1.43Å | 1.42Å | |
| O16 | C33 | sing | 1.43Å | 1.41Å | |
| C27 | N4 | doub | 1.30Å | 1.30Å | Aromatic |
| C27 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| C33 | C25 | sing | 1.54Å | 1.52Å | |
| O11 | P2 | sing | 1.61Å | 1.45Å | |
| N4 | C28 | sing | 1.36Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| P2 | O13 | sing | 1.61Å | 1.55Å | |
| P2 | O10 | sing | 1.61Å | 1.56Å | |
| N3 | C26 | sing | 1.46Å | 1.44Å | |
| N3 | C31 | sing | 1.37Å | 1.35Å | Aromatic |
| C26 | O14 | sing | 1.44Å | 1.39Å | |
| C28 | C31 | doub | 1.40Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C23 | O7 | sing | 1.43Å | 1.44Å | |
| N5 | C29 | sing | 1.38Å | 1.32Å | |
| C31 | N7 | sing | 1.33Å | 1.33Å | Aromatic |
| O13 | C24 | sing | 1.43Å | 1.43Å | |
| C25 | O14 | sing | 1.44Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.50Å | |
| C29 | N6 | doub | 1.33Å | 1.34Å | Aromatic |
| O10 | P1 | sing | 1.61Å | 1.57Å | |
| O7 | P1 | sing | 1.61Å | 1.56Å | |
| N7 | C30 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | C30 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O9 | doub | 1.48Å | 1.45Å | |
| P1 | O8 | sing | 1.61Å | 1.45Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å | |
| N9 | H39 | sing | 0.97Å | 1.00Å | |
| O11 | H40 | sing | 0.97Å | 0.95Å | |
| O15 | H41 | sing | 0.97Å | 0.95Å | |
| O16 | H42 | sing | 0.97Å | 0.95Å | |
| O3 | H43 | sing | 0.97Å | 0.95Å | |
| O4 | H44 | sing | 0.97Å | 0.95Å | |
| O5 | H45 | sing | 0.97Å | 0.95Å | |
| O6 | H46 | sing | 0.97Å | 0.95Å | |
| O8 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 120.8° | 119.9° |
| C14 | C13 | C15 | 120.3° | 119.9° |
| C13 | C14 | H2 | 109.5° | 109.5° |
| C13 | C14 | H3 | 109.5° | 109.4° |
| C13 | C14 | H4 | 109.4° | 109.5° |
| C12 | C13 | C15 | 119.0° | 120.3° |
| C13 | C12 | C11 | 120.3° | 120.2° |
| C13 | C12 | H11 | 119.8° | 119.9° |
| C13 | C15 | C16 | 119.5° | 120.0° |
| C13 | C15 | C17 | 119.7° | 120.0° |
| O3 | C10 | C9 | 110.3° | 110.5° |
| O3 | C10 | N1 | 108.1° | 110.5° |
| O3 | C10 | H10 | 112.3° | 110.5° |
| C10 | O3 | H43 | 109.5° | 114.0° |
| C12 | C11 | N1 | 116.5° | 118.4° |
| C12 | C11 | C18 | 121.2° | 119.3° |
| C11 | C12 | H11 | 119.8° | 119.9° |
| C9 | C10 | N1 | 104.1° | 104.2° |
| C10 | C9 | C8 | 99.1° | 104.9° |
| C10 | C9 | H8 | 112.0° | 110.3° |
| C10 | C9 | H9 | 112.0° | 110.4° |
| C9 | C10 | H10 | 110.3° | 110.5° |
| C10 | N1 | C11 | 112.9° | 107.7° |
| C10 | N1 | C37 | 109.6° | 103.4° |
| N1 | C10 | H10 | 111.4° | 110.5° |
| C16 | C15 | C17 | 120.8° | 120.0° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C9 | C8 | C37 | 108.0° | 104.6° |
| C9 | C8 | C7 | 120.8° | 110.5° |
| C9 | C8 | H7 | 95.5° | 110.5° |
| C8 | C9 | H8 | 112.0° | 110.3° |
| C8 | C9 | H9 | 112.0° | 110.4° |
| C15 | C17 | C18 | 120.4° | 120.0° |
| C15 | C17 | H18 | 119.7° | 119.9° |
| N1 | C11 | C18 | 122.3° | 122.3° |
| C11 | N1 | C37 | 121.7° | 111.9° |
| C11 | C18 | C17 | 119.4° | 120.1° |
| C11 | C18 | N2 | 119.1° | 120.5° |
| N1 | C37 | C8 | 101.9° | 104.7° |
| N1 | C37 | C36 | 106.8° | 110.4° |
| N1 | C37 | C34 | 112.1° | 111.3° |
| O18 | C36 | C37 | 121.5° | 119.7° |
| O18 | C36 | N9 | 121.3° | 119.6° |
| C37 | C8 | C7 | 128.5° | 110.4° |
| C8 | C37 | C36 | 106.0° | 108.8° |
| C8 | C37 | C34 | 122.7° | 110.5° |
| C37 | C8 | H7 | 95.4° | 110.4° |
| C8 | C7 | C38 | 122.6° | 119.9° |
| C8 | C7 | C6 | 118.4° | 119.9° |
| C7 | C8 | H7 | 95.5° | 110.4° |
| C17 | C18 | N2 | 121.6° | 119.3° |
| C18 | C17 | H18 | 119.8° | 120.0° |
| C18 | N2 | C34 | 121.0° | 118.2° |
| C18 | N2 | C19 | 119.2° | 120.9° |
| C36 | C37 | C34 | 106.3° | 110.9° |
| C37 | C36 | N9 | 117.2° | 120.6° |
| C37 | C34 | N2 | 121.1° | 118.8° |
| C37 | C34 | N8 | 120.7° | 121.3° |
| C36 | N9 | C35 | 120.4° | 121.1° |
| C36 | N9 | H39 | 119.8° | 119.5° |
| C38 | C7 | C6 | 119.0° | 120.1° |
| C7 | C38 | C3 | 120.2° | 119.8° |
| C7 | C38 | H35 | 119.9° | 120.0° |
| C7 | C6 | C5 | 120.8° | 120.3° |
| C7 | C6 | H6 | 119.6° | 119.8° |
| C38 | C3 | C4 | 120.0° | 119.7° |
| C38 | C3 | C2 | 121.0° | 120.2° |
| C3 | C38 | H35 | 119.9° | 120.1° |
| C6 | C5 | C4 | 119.8° | 120.1° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C5 | C6 | H6 | 119.6° | 119.8° |
| C34 | N2 | C19 | 119.8° | 120.9° |
| N2 | C34 | N8 | 118.1° | 119.9° |
| N2 | C19 | C20 | 114.6° | 109.5° |
| N2 | C19 | H19 | 108.2° | 109.4° |
| N2 | C19 | H20 | 108.2° | 109.5° |
| C34 | N8 | C35 | 117.9° | 122.3° |
| N9 | C35 | N8 | 123.6° | 121.9° |
| N9 | C35 | O17 | 117.8° | 119.1° |
| C35 | N9 | H39 | 119.8° | 119.4° |
| O2 | C2 | C3 | 124.5° | 120.0° |
| O2 | C2 | O1 | 122.7° | 120.0° |
| C4 | C3 | C2 | 118.9° | 120.1° |
| C3 | C4 | C5 | 120.1° | 119.9° |
| C3 | C4 | H1 | 119.9° | 120.1° |
| C3 | C2 | O1 | 112.7° | 120.0° |
| C5 | C4 | H1 | 119.9° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| O4 | C20 | C19 | 105.6° | 109.5° |
| O4 | C20 | C21 | 106.5° | 109.5° |
| O4 | C20 | H21 | 112.7° | 109.4° |
| C20 | O4 | H44 | 109.5° | 113.9° |
| C2 | O1 | C1 | 115.3° | 117.0° |
| C19 | C20 | C21 | 111.0° | 109.5° |
| C20 | C19 | H19 | 108.2° | 109.5° |
| C20 | C19 | H20 | 108.2° | 109.4° |
| C19 | C20 | H21 | 110.7° | 109.5° |
| N8 | C35 | O17 | 118.6° | 119.1° |
| C20 | C21 | O5 | 109.0° | 109.5° |
| C20 | C21 | C22 | 115.6° | 109.5° |
| C21 | C20 | H21 | 110.2° | 109.5° |
| C20 | C21 | H22 | 108.5° | 109.5° |
| O1 | C1 | H12 | 109.5° | 109.5° |
| O1 | C1 | H13 | 109.5° | 109.4° |
| O1 | C1 | H14 | 109.5° | 109.4° |
| O15 | C32 | C33 | 109.9° | 110.9° |
| O15 | C32 | C26 | 107.9° | 110.9° |
| O15 | C32 | H32 | 113.9° | 110.8° |
| C32 | O15 | H41 | 109.5° | 114.0° |
| O5 | C21 | C22 | 104.5° | 109.5° |
| O5 | C21 | H22 | 110.7° | 109.5° |
| C21 | O5 | H45 | 109.5° | 114.0° |
| C21 | C22 | O6 | 109.1° | 109.5° |
| C21 | C22 | C23 | 111.5° | 109.5° |
| C22 | C21 | H22 | 108.6° | 109.5° |
| C21 | C22 | H23 | 108.4° | 109.5° |
| C33 | C32 | C26 | 100.5° | 102.1° |
| C32 | C33 | O16 | 115.6° | 110.5° |
| C32 | C33 | C25 | 105.4° | 104.2° |
| C33 | C32 | H32 | 111.8° | 110.9° |
| C32 | C33 | H33 | 108.5° | 110.5° |
| C32 | C26 | N3 | 114.2° | 110.6° |
| C32 | C26 | O14 | 104.2° | 103.5° |
| C32 | C26 | H29 | 108.9° | 110.7° |
| C26 | C32 | H32 | 112.1° | 110.9° |
| O12 | P2 | O11 | 119.6° | 109.5° |
| O12 | P2 | O13 | 109.0° | 109.4° |
| O12 | P2 | O10 | 109.5° | 109.5° |
| O6 | C22 | C23 | 109.7° | 109.5° |
| O6 | C22 | H23 | 109.7° | 109.5° |
| C22 | O6 | H46 | 109.5° | 114.0° |
| O16 | C33 | C25 | 108.6° | 110.5° |
| O16 | C33 | H33 | 110.0° | 110.5° |
| C33 | O16 | H42 | 109.5° | 114.0° |
| N4 | C27 | N3 | 113.3° | 110.0° |
| C27 | N4 | C28 | 103.9° | 109.4° |
| N4 | C27 | H30 | 123.4° | 125.1° |
| C27 | N3 | C26 | 128.2° | 126.3° |
| C27 | N3 | C31 | 106.4° | 107.4° |
| N3 | C27 | H30 | 123.4° | 125.0° |
| C33 | C25 | O14 | 104.6° | 107.3° |
| C33 | C25 | C24 | 113.5° | 109.9° |
| C33 | C25 | H28 | 109.3° | 110.0° |
| C25 | C33 | H33 | 108.5° | 110.5° |
| O11 | P2 | O13 | 108.0° | 109.5° |
| O11 | P2 | O10 | 109.0° | 109.5° |
| P2 | O11 | H40 | 109.5° | 114.0° |
| N4 | C28 | C31 | 110.8° | 107.1° |
| N4 | C28 | C29 | 132.5° | 134.7° |
| C22 | C23 | O7 | 112.1° | 109.5° |
| C23 | C22 | H23 | 108.5° | 109.5° |
| C22 | C23 | H24 | 108.8° | 109.5° |
| C22 | C23 | H25 | 108.8° | 109.5° |
| O13 | P2 | O10 | 99.9° | 109.5° |
| P2 | O13 | C24 | 119.8° | 123.0° |
| P2 | O10 | P1 | 137.1° | 134.0° |
| C26 | N3 | C31 | 125.4° | 126.3° |
| N3 | C26 | O14 | 108.9° | 110.6° |
| N3 | C26 | H29 | 109.8° | 110.6° |
| N3 | C31 | C28 | 105.6° | 106.0° |
| N3 | C31 | N7 | 127.3° | 134.9° |
| C26 | O14 | C25 | 106.3° | 107.0° |
| O14 | C26 | H29 | 110.6° | 110.6° |
| C31 | C28 | C29 | 116.7° | 118.2° |
| C28 | C31 | N7 | 127.1° | 119.1° |
| C28 | C29 | N5 | 123.7° | 120.8° |
| C28 | C29 | N6 | 117.8° | 118.4° |
| C23 | O7 | P1 | 119.6° | 123.0° |
| O7 | C23 | H24 | 108.8° | 109.4° |
| O7 | C23 | H25 | 108.8° | 109.5° |
| N5 | C29 | N6 | 118.5° | 120.8° |
| C29 | N5 | H36 | 109.5° | 120.0° |
| C29 | N5 | H37 | 109.4° | 120.0° |
| C31 | N7 | C30 | 110.8° | 120.6° |
| O13 | C24 | C25 | 106.6° | 109.5° |
| O13 | C24 | H26 | 110.2° | 109.4° |
| O13 | C24 | H27 | 110.2° | 109.5° |
| O14 | C25 | C24 | 109.3° | 109.9° |
| O14 | C25 | H28 | 110.5° | 109.9° |
| C25 | C24 | H26 | 110.2° | 109.5° |
| C25 | C24 | H27 | 110.2° | 109.5° |
| C24 | C25 | H28 | 109.6° | 109.9° |
| C29 | N6 | C30 | 118.7° | 121.2° |
| O10 | P1 | O7 | 102.8° | 109.5° |
| O10 | P1 | O9 | 108.4° | 109.4° |
| O10 | P1 | O8 | 111.3° | 109.5° |
| O7 | P1 | O9 | 109.7° | 109.5° |
| O7 | P1 | O8 | 103.8° | 109.5° |
| N7 | C30 | N6 | 128.9° | 122.4° |
| N7 | C30 | H31 | 115.6° | 118.8° |
| N6 | C30 | H31 | 115.6° | 118.8° |
| O9 | P1 | O8 | 119.4° | 109.5° |
| P1 | O8 | H47 | 109.5° | 114.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H4 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 110.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H15 | C16 | H17 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.4° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H36 | N5 | H37 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | C15 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 180.0° | 180.0° |
| C14 | C13 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C15 | C17 | 179.8° | 180.0° |
| C13 | C14 | H2 | H3 | 120.0° | 120.0° |
| C13 | C14 | H2 | H4 | 120.0° | 120.0° |
| C13 | C14 | H3 | H4 | 120.0° | 120.0° |
| C14 | C13 | C12 | H11 | 0.0° | 0.1° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C15 | C16 | 179.9° | 179.9° |
| C12 | C13 | C15 | C17 | 0.2° | 0.0° |
| C13 | C12 | C11 | N1 | 180.0° | 179.9° |
| C13 | C12 | C11 | C18 | 0.0° | 0.2° |
| C12 | C13 | C14 | H2 | 90.0° | 89.9° |
| C12 | C13 | C14 | H3 | 150.0° | 150.1° |
| C12 | C13 | C14 | H4 | 30.0° | 30.1° |
| C15 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | C15 | C16 | C17 | 179.7° | 179.9° |
| C13 | C15 | C17 | C18 | 0.5° | 0.1° |
| C15 | C13 | C14 | H2 | 90.0° | 90.0° |
| C15 | C13 | C14 | H3 | 30.0° | 30.0° |
| C15 | C13 | C14 | H4 | 150.0° | 150.0° |
| C15 | C13 | C12 | H11 | 179.9° | 180.0° |
| C13 | C15 | C16 | H15 | 89.9° | 90.0° |
| C13 | C15 | C16 | H16 | 150.1° | 150.1° |
| C13 | C15 | C16 | H17 | 30.2° | 30.0° |
| C13 | C15 | C17 | H18 | 179.5° | 179.9° |
| O3 | C10 | C9 | N1 | 115.8° | 118.7° |
| O3 | C10 | C9 | H10 | 124.6° | 122.6° |
| O3 | C10 | N1 | H10 | 123.9° | 122.7° |
| O3 | C10 | C9 | C8 | 75.1° | 94.3° |
| O3 | C10 | N1 | C11 | 142.4° | 163.9° |
| O3 | C10 | N1 | C37 | 78.6° | 77.6° |
| O3 | C10 | C9 | H8 | 43.2° | 146.9° |
| O3 | C10 | C9 | H9 | 166.6° | 24.6° |
| C12 | C11 | N1 | C10 | 38.9° | 40.4° |
| C12 | C11 | N1 | C18 | 180.0° | 179.7° |
| C12 | C11 | N1 | C37 | 172.4° | 153.4° |
| C12 | C11 | C18 | C17 | 0.3° | 0.3° |
| C12 | C11 | C18 | N2 | 179.7° | 180.0° |
| C9 | C10 | N1 | H10 | 118.9° | 118.7° |
| C10 | C9 | C8 | H8 | 118.3° | 118.8° |
| C10 | C9 | C8 | H9 | 118.3° | 119.0° |
| C9 | C10 | N1 | C11 | 100.3° | 77.5° |
| C9 | C10 | N1 | C37 | 38.7° | 41.1° |
| C10 | C9 | C8 | C37 | 30.0° | 0.6° |
| C10 | C9 | C8 | C7 | 167.3° | 118.2° |
| C10 | C9 | C8 | H7 | 67.5° | 119.4° |
| C10 | C9 | H8 | H9 | 124.9° | 122.3° |
| C9 | C10 | O3 | H43 | 93.7° | 61.5° |
| N1 | C10 | C9 | C8 | 40.6° | 24.4° |
| C10 | N1 | C11 | C37 | 133.5° | 112.9° |
| C10 | N1 | C11 | C18 | 141.1° | 139.9° |
| C10 | N1 | C37 | C8 | 18.2° | 41.7° |
| C10 | N1 | C37 | C36 | 92.7° | 75.3° |
| C10 | N1 | C37 | C34 | 151.2° | 161.1° |
| N1 | C10 | C9 | H8 | 159.0° | 94.4° |
| N1 | C10 | C9 | H9 | 77.6° | 143.3° |
| N1 | C10 | O3 | H43 | 19.5° | 176.2° |
| C16 | C15 | C17 | C18 | 179.9° | 179.8° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H17 | 120.0° | 120.1° |
| C15 | C16 | H16 | H17 | 120.0° | 120.1° |
| C16 | C15 | C17 | H18 | 0.1° | 0.0° |
| C9 | C8 | C37 | N1 | 8.7° | 25.8° |
| C9 | C8 | C37 | C7 | 161.0° | 118.8° |
| C9 | C8 | C37 | H7 | 97.6° | 118.8° |
| C9 | C8 | C7 | H7 | 99.8° | 122.5° |
| C9 | C8 | C37 | C36 | 120.3° | 92.3° |
| C9 | C8 | C37 | C34 | 117.6° | 145.7° |
| C9 | C8 | C7 | C38 | 57.9° | 144.5° |
| C9 | C8 | C7 | C6 | 121.8° | 35.7° |
| C8 | C9 | H8 | H9 | 124.8° | 122.2° |
| C8 | C9 | C10 | H10 | 160.3° | 143.1° |
| C15 | C17 | C18 | C11 | 0.5° | 0.3° |
| C15 | C17 | C18 | H18 | 180.0° | 179.8° |
| C15 | C17 | C18 | N2 | 179.9° | 180.0° |
| C17 | C15 | C16 | H15 | 89.8° | 89.9° |
| C17 | C15 | C16 | H16 | 30.2° | 30.0° |
| C17 | C15 | C16 | H17 | 150.2° | 150.0° |
| C11 | N1 | C37 | C8 | 116.5° | 73.9° |
| N1 | C11 | C18 | C17 | 179.7° | 180.0° |
| N1 | C11 | C18 | N2 | 0.3° | 0.3° |
| C11 | N1 | C37 | C36 | 132.5° | 169.1° |
| C11 | N1 | C37 | C34 | 16.4° | 45.5° |
| C11 | N1 | C10 | H10 | 18.6° | 41.2° |
| N1 | C11 | C12 | H11 | 0.0° | 0.2° |
| C18 | C11 | N1 | C37 | 7.6° | 26.9° |
| C11 | C18 | C17 | N2 | 179.4° | 179.7° |
| C11 | C18 | N2 | C34 | 2.9° | 5.5° |
| C11 | C18 | N2 | C19 | 175.0° | 174.4° |
| C18 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C18 | C17 | H18 | 179.5° | 179.9° |
| N1 | C37 | C36 | O18 | 28.5° | 43.5° |
| N1 | C37 | C8 | C36 | 111.6° | 118.1° |
| N1 | C37 | C8 | C34 | 126.3° | 120.0° |
| N1 | C37 | C8 | C7 | 169.7° | 93.1° |
| N1 | C37 | C36 | C34 | 119.8° | 123.9° |
| N1 | C37 | C36 | N9 | 152.6° | 136.4° |
| N1 | C37 | C34 | N2 | 19.5° | 42.7° |
| N1 | C37 | C34 | N8 | 157.6° | 138.6° |
| N1 | C37 | C8 | H7 | 88.9° | 144.6° |
| C37 | N1 | C10 | H10 | 157.6° | 159.8° |
| O18 | C36 | C37 | C8 | 79.6° | 70.9° |
| O18 | C36 | C37 | N9 | 178.9° | 179.9° |
| O18 | C36 | C37 | C34 | 148.3° | 167.4° |
| O18 | C36 | N9 | C35 | 172.7° | 178.0° |
| O18 | C36 | N9 | H39 | 7.3° | 2.2° |
| C37 | C8 | C7 | H7 | 101.4° | 122.4° |
| C8 | C37 | C36 | C34 | 132.1° | 121.7° |
| C8 | C37 | C36 | N9 | 99.3° | 109.2° |
| C37 | C8 | C7 | C38 | 100.9° | 100.3° |
| C37 | C8 | C7 | C6 | 79.4° | 79.5° |
| C8 | C37 | C34 | N2 | 102.2° | 73.2° |
| C8 | C37 | C34 | N8 | 80.7° | 105.5° |
| C37 | C8 | C9 | H8 | 148.3° | 119.4° |
| C37 | C8 | C9 | H9 | 88.3° | 118.4° |
| C7 | C8 | C37 | C36 | 78.7° | 148.9° |
| C7 | C8 | C37 | C34 | 43.4° | 26.9° |
| C8 | C7 | C38 | C6 | 179.7° | 179.8° |
| C8 | C7 | C38 | C3 | 179.5° | 180.0° |
| C8 | C7 | C6 | C5 | 179.9° | 179.8° |
| C8 | C7 | C6 | H6 | 0.1° | 0.2° |
| C7 | C8 | C9 | H8 | 49.0° | 0.6° |
| C7 | C8 | C9 | H9 | 74.4° | 122.8° |
| C8 | C7 | C38 | H35 | 0.5° | 0.2° |
| C17 | C18 | N2 | C34 | 176.5° | 174.2° |
| C17 | C18 | N2 | C19 | 5.6° | 5.9° |
| C18 | N2 | C34 | C37 | 13.5° | 16.7° |
| C18 | N2 | C34 | C19 | 177.9° | 180.0° |
| C18 | N2 | C34 | N8 | 163.6° | 164.6° |
| C18 | N2 | C19 | C20 | 94.3° | 140.1° |
| N2 | C18 | C17 | H18 | 0.1° | 0.2° |
| C18 | N2 | C19 | H19 | 144.9° | 20.1° |
| C18 | N2 | C19 | H20 | 26.4° | 100.0° |
| C36 | C37 | C34 | N2 | 135.8° | 166.1° |
| C36 | C37 | C34 | N8 | 41.3° | 15.2° |
| C37 | C36 | N9 | C35 | 8.4° | 2.0° |
| C36 | C37 | C8 | H7 | 22.7° | 26.5° |
| C37 | C36 | N9 | H39 | 171.6° | 177.9° |
| C34 | C37 | C36 | N9 | 32.8° | 12.6° |
| C37 | C34 | N2 | N8 | 177.2° | 178.7° |
| C37 | C34 | N2 | C19 | 164.4° | 163.3° |
| C37 | C34 | N8 | C35 | 21.8° | 7.2° |
| C34 | C37 | C8 | H7 | 144.8° | 95.4° |
| C36 | N9 | C35 | H39 | 180.0° | 179.8° |
| C36 | N9 | C35 | N8 | 16.5° | 8.1° |
| C36 | N9 | C35 | O17 | 163.6° | 172.0° |
| C7 | C38 | C3 | H35 | 180.0° | 179.7° |
| C38 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C38 | C3 | C4 | 1.2° | 0.5° |
| C7 | C38 | C3 | C2 | 179.0° | 179.8° |
| C38 | C7 | C6 | H6 | 179.6° | 180.0° |
| C38 | C7 | C8 | H7 | 157.7° | 22.0° |
| C6 | C7 | C38 | C3 | 0.8° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.1° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C6 | C7 | C8 | H7 | 22.0° | 158.2° |
| C6 | C7 | C38 | H35 | 179.2° | 180.0° |
| C38 | C3 | C2 | O2 | 27.3° | 0.4° |
| C38 | C3 | C4 | C2 | 177.8° | 179.7° |
| C38 | C3 | C4 | C5 | 1.2° | 0.6° |
| C38 | C3 | C2 | O1 | 156.5° | 179.7° |
| C38 | C3 | C4 | H1 | 178.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.3° | 179.9° |
| C34 | N2 | C19 | C20 | 87.7° | 40.0° |
| N2 | C34 | N8 | C35 | 155.3° | 174.1° |
| C34 | N2 | C19 | H19 | 33.0° | 159.9° |
| C34 | N2 | C19 | H20 | 151.5° | 80.0° |
| C19 | N2 | C34 | N8 | 18.5° | 15.4° |
| N2 | C19 | C20 | O4 | 46.6° | 75.2° |
| N2 | C19 | C20 | H19 | 120.7° | 119.9° |
| N2 | C19 | C20 | H20 | 120.8° | 120.0° |
| N2 | C19 | C20 | C21 | 161.6° | 164.8° |
| N2 | C19 | H19 | H20 | 117.6° | 120.0° |
| N2 | C19 | C20 | H21 | 75.7° | 44.8° |
| C34 | N8 | C35 | N9 | 9.6° | 5.5° |
| C34 | N8 | C35 | O17 | 170.6° | 174.6° |
| N9 | C35 | N8 | O17 | 179.8° | 179.9° |
| O2 | C2 | C3 | C4 | 150.5° | 180.0° |
| O2 | C2 | C3 | O1 | 176.2° | 179.9° |
| O2 | C2 | O1 | C1 | 21.8° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | O1 | 25.7° | 0.0° |
| C3 | C4 | C5 | H5 | 179.3° | 179.8° |
| C4 | C3 | C38 | H35 | 178.8° | 179.7° |
| C2 | C3 | C4 | C5 | 179.0° | 179.8° |
| C3 | C2 | O1 | C1 | 154.4° | 180.0° |
| C2 | C3 | C4 | H1 | 1.0° | 0.0° |
| C2 | C3 | C38 | H35 | 1.0° | 0.1° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| O4 | C20 | C19 | C21 | 115.0° | 120.0° |
| O4 | C20 | C19 | H21 | 122.3° | 119.9° |
| O4 | C20 | C21 | H21 | 122.5° | 120.0° |
| O4 | C20 | C21 | O5 | 160.0° | 180.0° |
| O4 | C20 | C21 | C22 | 82.8° | 60.0° |
| O4 | C20 | C19 | H19 | 167.3° | 164.9° |
| O4 | C20 | C19 | H20 | 74.2° | 44.8° |
| O4 | C20 | C21 | H22 | 39.4° | 60.0° |
| C2 | O1 | C1 | H12 | 180.0° | 180.0° |
| C2 | O1 | C1 | H13 | 60.0° | 59.9° |
| C2 | O1 | C1 | H14 | 60.0° | 60.0° |
| C19 | C20 | C21 | H21 | 123.0° | 120.0° |
| C19 | C20 | C21 | O5 | 45.5° | 60.0° |
| C19 | C20 | C21 | C22 | 162.8° | 180.0° |
| C20 | C19 | H19 | H20 | 117.7° | 120.0° |
| C19 | C20 | C21 | H22 | 75.1° | 60.0° |
| C19 | C20 | O4 | H44 | 180.0° | 60.0° |
| N8 | C35 | N9 | H39 | 163.5° | 172.1° |
| O17 | C35 | N9 | H39 | 16.4° | 7.8° |
| C20 | C21 | O5 | C22 | 124.1° | 120.0° |
| C20 | C21 | O5 | H22 | 119.2° | 120.0° |
| C20 | C21 | C22 | H22 | 122.1° | 120.0° |
| C20 | C21 | C22 | O6 | 62.4° | 60.0° |
| C20 | C21 | C22 | C23 | 176.3° | 180.0° |
| C21 | C20 | C19 | H19 | 77.6° | 44.9° |
| C21 | C20 | C19 | H20 | 40.9° | 75.2° |
| C20 | C21 | C22 | H23 | 57.0° | 60.0° |
| C21 | C20 | O4 | H44 | 61.9° | 60.0° |
| C20 | C21 | O5 | H45 | 180.0° | 60.0° |
| O1 | C1 | H12 | H13 | 120.0° | 120.0° |
| O1 | C1 | H12 | H14 | 120.0° | 120.0° |
| O1 | C1 | H13 | H14 | 120.0° | 119.9° |
| O15 | C32 | C33 | C26 | 113.5° | 118.2° |
| O15 | C32 | C33 | H32 | 127.5° | 123.6° |
| O15 | C32 | C26 | H32 | 126.1° | 123.6° |
| O15 | C32 | C33 | O16 | 13.8° | 20.4° |
| O15 | C32 | C33 | C25 | 133.7° | 139.1° |
| O15 | C32 | C26 | N3 | 86.9° | 86.3° |
| O15 | C32 | C26 | O14 | 154.3° | 155.3° |
| O15 | C32 | C26 | H29 | 36.3° | 36.7° |
| O15 | C32 | C33 | H33 | 110.3° | 102.2° |
| O5 | C21 | C22 | H22 | 118.1° | 120.0° |
| O5 | C21 | C22 | O6 | 177.9° | 180.0° |
| O5 | C21 | C22 | C23 | 56.6° | 60.0° |
| O5 | C21 | C20 | H21 | 77.5° | 60.0° |
| O5 | C21 | C22 | H23 | 62.8° | 60.0° |
| C21 | C22 | O6 | C23 | 122.4° | 120.0° |
| C21 | C22 | O6 | H23 | 118.6° | 120.0° |
| C21 | C22 | C23 | H23 | 119.3° | 120.0° |
| C21 | C22 | C23 | O7 | 154.1° | 175.0° |
| C22 | C21 | C20 | H21 | 39.8° | 60.0° |
| C21 | C22 | C23 | H24 | 85.5° | 55.0° |
| C21 | C22 | C23 | H25 | 33.8° | 65.0° |
| C22 | C21 | O5 | H45 | 55.9° | 60.0° |
| C21 | C22 | O6 | H46 | 180.0° | 60.0° |
| C33 | C32 | C26 | H32 | 118.9° | 118.2° |
| C32 | C33 | O16 | C25 | 118.1° | 114.8° |
| C32 | C33 | O16 | H33 | 123.3° | 122.6° |
| C32 | C33 | C25 | H33 | 116.0° | 118.7° |
| C33 | C32 | C26 | N3 | 158.1° | 155.5° |
| C33 | C32 | C26 | O14 | 39.4° | 37.0° |
| C32 | C33 | C25 | O14 | 4.4° | 2.1° |
| C32 | C33 | C25 | C24 | 123.5° | 121.4° |
| C32 | C33 | C25 | H28 | 113.9° | 117.5° |
| C33 | C32 | C26 | H29 | 78.7° | 81.5° |
| C33 | C32 | O15 | H41 | 180.0° | 61.4° |
| C32 | C33 | O16 | H42 | 180.0° | 61.5° |
| C26 | C32 | C33 | O16 | 99.6° | 97.8° |
| C32 | C26 | N3 | C27 | 37.2° | 90.2° |
| C26 | C32 | C33 | C25 | 20.2° | 20.9° |
| C32 | C26 | N3 | O14 | 116.1° | 114.1° |
| C32 | C26 | N3 | H29 | 122.7° | 123.0° |
| C32 | C26 | N3 | C31 | 141.5° | 89.5° |
| C32 | C26 | O14 | H29 | 116.9° | 118.6° |
| C32 | C26 | O14 | C25 | 44.7° | 40.1° |
| C26 | C32 | C33 | H33 | 136.2° | 139.6° |
| C26 | C32 | O15 | H41 | 71.4° | 174.2° |
| O12 | P2 | O11 | O13 | 125.4° | 119.9° |
| O12 | P2 | O11 | O10 | 127.0° | 120.1° |
| O12 | P2 | O13 | O10 | 114.7° | 120.0° |
| O12 | P2 | O13 | C24 | 35.3° | 55.0° |
| O12 | P2 | O10 | P1 | 156.8° | 40.0° |
| O12 | P2 | O11 | H40 | 0.0° | 180.0° |
| O6 | C22 | C23 | H23 | 119.8° | 120.0° |
| O6 | C22 | C23 | O7 | 33.2° | 65.0° |
| O6 | C22 | C21 | H22 | 59.7° | 60.0° |
| O6 | C22 | C23 | H24 | 153.6° | 175.0° |
| O6 | C22 | C23 | H25 | 87.2° | 55.0° |
| O16 | C33 | C25 | H33 | 119.6° | 122.6° |
| O16 | C33 | C25 | O14 | 128.9° | 120.7° |
| O16 | C33 | C25 | C24 | 112.1° | 119.9° |
| O16 | C33 | C25 | H28 | 10.5° | 1.2° |
| O16 | C33 | C32 | H32 | 141.3° | 144.0° |
| N4 | C27 | N3 | H30 | 180.0° | 179.9° |
| N4 | C27 | N3 | C26 | 179.7° | 180.0° |
| N4 | C27 | N3 | C31 | 0.8° | 0.3° |
| C27 | N4 | C28 | C31 | 0.4° | 0.1° |
| C27 | N4 | C28 | C29 | 179.4° | 179.8° |
| N3 | C27 | N4 | C28 | 0.2° | 0.2° |
| C27 | N3 | C26 | C31 | 178.7° | 179.7° |
| C27 | N3 | C26 | O14 | 78.8° | 23.9° |
| C27 | N3 | C31 | C28 | 1.0° | 0.2° |
| C27 | N3 | C31 | N7 | 178.9° | 179.6° |
| C27 | N3 | C26 | H29 | 159.9° | 146.8° |
| C33 | C25 | O14 | C26 | 30.3° | 26.5° |
| C33 | C25 | C24 | O13 | 56.5° | 175.7° |
| C33 | C25 | O14 | C24 | 121.8° | 119.4° |
| C33 | C25 | O14 | H28 | 117.5° | 119.6° |
| C33 | C25 | C24 | H28 | 122.4° | 121.1° |
| C33 | C25 | C24 | H26 | 176.0° | 55.8° |
| C33 | C25 | C24 | H27 | 63.1° | 64.3° |
| C25 | C33 | C32 | H32 | 98.8° | 97.4° |
| C25 | C33 | O16 | H42 | 61.9° | 176.2° |
| O11 | P2 | O13 | O10 | 113.9° | 120.0° |
| O11 | P2 | O13 | C24 | 166.7° | 64.9° |
| O11 | P2 | O10 | P1 | 24.3° | 80.0° |
| N4 | C28 | C31 | N3 | 0.9° | 0.1° |
| N4 | C28 | C31 | C29 | 179.1° | 179.9° |
| N4 | C28 | C29 | N5 | 0.7° | 0.2° |
| N4 | C28 | C31 | N7 | 179.0° | 179.8° |
| N4 | C28 | C29 | N6 | 179.6° | 179.7° |
| C28 | N4 | C27 | H30 | 179.8° | 179.8° |
| C22 | C23 | O7 | H24 | 120.4° | 120.1° |
| C22 | C23 | O7 | H25 | 120.4° | 120.1° |
| C22 | C23 | O7 | P1 | 178.7° | 180.0° |
| C23 | C22 | C21 | H22 | 61.5° | 60.0° |
| C22 | C23 | H24 | H25 | 118.8° | 120.0° |
| C23 | C22 | O6 | H46 | 57.6° | 60.0° |
| P2 | O13 | C24 | C25 | 129.6° | 180.0° |
| O13 | P2 | O10 | P1 | 88.8° | 159.9° |
| P2 | O13 | C24 | H26 | 110.9° | 60.0° |
| P2 | O13 | C24 | H27 | 10.0° | 60.0° |
| O13 | P2 | O11 | H40 | 125.4° | 60.1° |
| O10 | P2 | O13 | C24 | 79.4° | 175.0° |
| P2 | O10 | P1 | O7 | 52.9° | 160.0° |
| P2 | O10 | P1 | O9 | 169.1° | 40.1° |
| P2 | O10 | P1 | O8 | 57.7° | 79.9° |
| O10 | P2 | O11 | H40 | 126.9° | 60.0° |
| N3 | C26 | O14 | H29 | 120.8° | 122.9° |
| C26 | N3 | C31 | C28 | 179.9° | 180.0° |
| C26 | N3 | C31 | N7 | 0.1° | 0.1° |
| N3 | C26 | O14 | C25 | 167.1° | 158.6° |
| C26 | N3 | C27 | H30 | 0.3° | 0.0° |
| N3 | C26 | C32 | H32 | 39.2° | 37.3° |
| C31 | N3 | C26 | O14 | 102.4° | 156.4° |
| N3 | C31 | C28 | N7 | 179.9° | 179.9° |
| N3 | C31 | C28 | C29 | 180.0° | 180.0° |
| N3 | C31 | N7 | C30 | 179.0° | 180.0° |
| C31 | N3 | C26 | H29 | 18.8° | 33.5° |
| C31 | N3 | C27 | H30 | 179.2° | 179.8° |
| C26 | O14 | C25 | C24 | 152.2° | 145.9° |
| C26 | O14 | C25 | H28 | 87.2° | 93.1° |
| O14 | C26 | C32 | H32 | 79.5° | 81.2° |
| C31 | C28 | C29 | N5 | 179.6° | 180.0° |
| C31 | C28 | C29 | N6 | 0.7° | 0.1° |
| C28 | C31 | N7 | C30 | 1.2° | 0.1° |
| C28 | C29 | N5 | N6 | 179.7° | 179.9° |
| C29 | C28 | C31 | N7 | 0.1° | 0.1° |
| C28 | C29 | N6 | C30 | 0.3° | 0.1° |
| C28 | C29 | N5 | H36 | 179.7° | 0.0° |
| C28 | C29 | N5 | H37 | 59.7° | 180.0° |
| C23 | O7 | P1 | O10 | 87.4° | 175.0° |
| C23 | O7 | P1 | O9 | 27.8° | 55.0° |
| C23 | O7 | P1 | O8 | 156.5° | 65.0° |
| O7 | C23 | C22 | H23 | 86.6° | 55.0° |
| O7 | C23 | H24 | H25 | 118.8° | 119.9° |
| N5 | C29 | N6 | C30 | 179.9° | 179.9° |
| C29 | N5 | H36 | H37 | 120.0° | 180.0° |
| C31 | N7 | C30 | N6 | 1.6° | 0.2° |
| C31 | N7 | C30 | H31 | 178.4° | 179.9° |
| O13 | C24 | C25 | O14 | 172.8° | 66.5° |
| O13 | C24 | C25 | H26 | 119.5° | 120.0° |
| O13 | C24 | C25 | H27 | 119.5° | 120.0° |
| O13 | C24 | H26 | H27 | 121.3° | 120.0° |
| O13 | C24 | C25 | H28 | 65.9° | 54.6° |
| O14 | C25 | C24 | H28 | 121.2° | 121.1° |
| O14 | C25 | C24 | H26 | 67.6° | 173.6° |
| O14 | C25 | C24 | H27 | 53.3° | 53.6° |
| C25 | O14 | C26 | H29 | 72.2° | 78.6° |
| O14 | C25 | C33 | H33 | 111.6° | 116.7° |
| C25 | C24 | H26 | H27 | 121.4° | 120.0° |
| C24 | C25 | C33 | H33 | 7.5° | 2.7° |
| C29 | N6 | C30 | N7 | 0.9° | 0.2° |
| C29 | N6 | C30 | H31 | 179.0° | 179.9° |
| N6 | C29 | N5 | H36 | 0.0° | 179.9° |
| N6 | C29 | N5 | H37 | 120.0° | 0.0° |
| O10 | P1 | O7 | O9 | 115.2° | 119.9° |
| O10 | P1 | O7 | O8 | 116.1° | 120.0° |
| O10 | P1 | O9 | O8 | 128.8° | 120.0° |
| O10 | P1 | O8 | H47 | 127.5° | 60.1° |
| O7 | P1 | O9 | O8 | 119.6° | 120.0° |
| P1 | O7 | C23 | H24 | 60.9° | 59.9° |
| P1 | O7 | C23 | H25 | 58.3° | 59.9° |
| O7 | P1 | O8 | H47 | 122.5° | 60.0° |
| N7 | C30 | N6 | H31 | 180.0° | 179.9° |
| O9 | P1 | O8 | H47 | 0.0° | 180.0° |
| H1 | C4 | C5 | H5 | 0.7° | 0.0° |
| H2 | C14 | H3 | H4 | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.1° |
| H7 | C8 | C9 | H8 | 50.8° | 121.8° |
| H7 | C8 | C9 | H9 | 174.2° | 0.4° |
| H8 | C9 | C10 | H10 | 81.4° | 24.3° |
| H9 | C9 | C10 | H10 | 42.0° | 98.0° |
| H10 | C10 | O3 | H43 | 142.8° | 61.1° |
| H12 | C1 | H13 | H14 | 120.0° | 120.1° |
| H15 | C16 | H16 | H17 | 120.0° | 119.9° |
| H19 | C19 | C20 | H21 | 45.1° | 75.1° |
| H20 | C19 | C20 | H21 | 163.6° | 164.8° |
| H21 | C20 | C21 | H22 | 162.0° | 180.0° |
| H21 | C20 | O4 | H44 | 59.1° | 180.0° |
| H22 | C21 | C22 | H23 | 179.1° | 180.0° |
| H22 | C21 | O5 | H45 | 60.8° | 180.0° |
| H23 | C22 | C23 | H24 | 33.8° | 65.1° |
| H23 | C22 | C23 | H25 | 153.0° | 175.0° |
| H23 | C22 | O6 | H46 | 61.4° | 180.0° |
| H26 | C24 | C25 | H28 | 53.6° | 65.4° |
| H27 | C24 | C25 | H28 | 174.5° | 174.6° |
| H28 | C25 | C33 | H33 | 130.1° | 123.8° |
| H29 | C26 | C32 | H32 | 162.4° | 160.3° |
| H32 | C32 | C33 | H33 | 17.2° | 21.3° |
| H32 | C32 | O15 | H41 | 53.7° | 62.2° |
| H33 | C33 | O16 | H42 | 56.7° | 61.1° |
