XZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C21 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C23 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| O2 | C17 | doub | 1.22Å | 1.21Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.38Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.54Å | 1.51Å | |
| C9 | N1 | sing | 1.49Å | 1.43Å | |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | N2 | sing | 1.40Å | 1.40Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C17 | N2 | sing | 1.35Å | 1.33Å | |
| C17 | C16 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.35Å | |
| C5 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| N1 | C25 | sing | 1.47Å | 1.45Å | |
| C24 | C16 | doub | 1.40Å | 1.38Å | Aromatic |
| C24 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C26 | doub | 1.21Å | 1.21Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C25 | sing | 1.55Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N5 | sing | 1.40Å | 1.41Å | |
| C25 | C26 | sing | 1.50Å | 1.50Å | |
| C25 | C28 | sing | 1.50Å | 1.49Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | N3 | sing | 1.35Å | 1.32Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| N5 | C28 | sing | 1.36Å | 1.33Å | |
| N5 | C29 | sing | 1.47Å | 1.48Å | |
| C28 | N4 | doub | 1.31Å | 1.28Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C27 | sing | 1.34Å | 1.35Å | |
| O5 | C30 | sing | 1.43Å | 1.37Å | |
| N4 | C27 | sing | 1.34Å | 1.29Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C27 | O4 | doub | 1.22Å | 1.20Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| O16 | C42 | sing | 1.43Å | 1.40Å | |
| C31 | O6 | sing | 1.43Å | 1.37Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.55Å | 1.52Å | |
| C42 | C36 | sing | 1.55Å | 1.51Å | |
| O12 | P2 | doub | 1.48Å | 1.46Å | |
| O7 | C32 | sing | 1.43Å | 1.42Å | |
| C43 | O17 | sing | 1.43Å | 1.41Å | |
| C43 | C35 | sing | 1.54Å | 1.53Å | |
| C37 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C37 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | C38 | sing | 1.35Å | 1.37Å | Aromatic |
| O13 | P2 | sing | 1.61Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| P2 | O14 | sing | 1.61Å | 1.55Å | |
| P2 | O11 | sing | 1.61Å | 1.55Å | |
| N6 | C36 | sing | 1.47Å | 1.44Å | |
| N6 | C41 | sing | 1.37Å | 1.36Å | Aromatic |
| C36 | O15 | sing | 1.44Å | 1.39Å | |
| C38 | C41 | doub | 1.40Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.41Å | 1.39Å | Aromatic |
| C33 | O8 | sing | 1.43Å | 1.43Å | |
| N8 | C39 | sing | 1.38Å | 1.32Å | |
| C41 | N10 | sing | 1.33Å | 1.33Å | Aromatic |
| C35 | C34 | sing | 1.53Å | 1.50Å | |
| C35 | O15 | sing | 1.44Å | 1.44Å | |
| C34 | O14 | sing | 1.43Å | 1.41Å | |
| C39 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| O8 | P1 | sing | 1.61Å | 1.56Å | |
| O11 | P1 | sing | 1.61Å | 1.56Å | |
| N10 | C40 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C40 | sing | 1.32Å | 1.33Å | Aromatic |
| P1 | O10 | doub | 1.48Å | 1.45Å | |
| P1 | O9 | sing | 1.61Å | 1.46Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.08Å | 1.08Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C43 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.09Å | 1.10Å | |
| C1 | H34 | sing | 1.09Å | 1.10Å | |
| C1 | H35 | sing | 1.09Å | 1.10Å | |
| O1 | H36 | sing | 0.97Å | 0.95Å | |
| C13 | H37 | sing | 1.08Å | 1.08Å | |
| C14 | H38 | sing | 1.08Å | 1.08Å | |
| N3 | H39 | sing | 0.97Å | 1.00Å | |
| O5 | H41 | sing | 0.97Å | 0.95Å | |
| O6 | H42 | sing | 0.97Å | 0.95Å | |
| O7 | H43 | sing | 0.97Å | 0.95Å | |
| O9 | H44 | sing | 0.97Å | 0.95Å | |
| O13 | H45 | sing | 0.97Å | 0.95Å | |
| C37 | H46 | sing | 1.08Å | 1.08Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| O16 | H49 | sing | 0.97Å | 0.95Å | |
| O17 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C22 | C21 | C20 | 119.9° | 120.1° |
| C22 | C21 | H14 | 120.0° | 119.9° |
| C21 | C22 | H15 | 119.9° | 120.0° |
| C22 | C23 | C18 | 119.9° | 119.9° |
| C23 | C22 | H15 | 119.9° | 119.9° |
| C22 | C23 | H16 | 120.0° | 120.0° |
| C8 | C7 | C6 | 120.3° | 119.9° |
| C8 | C7 | C2 | 120.5° | 119.8° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C21 | C20 | C19 | 120.6° | 120.1° |
| C21 | C20 | H13 | 119.7° | 120.0° |
| C20 | C21 | H14 | 120.1° | 119.9° |
| C23 | C18 | C19 | 119.7° | 119.9° |
| C23 | C18 | N2 | 120.5° | 120.1° |
| C18 | C23 | H16 | 120.0° | 120.1° |
| O2 | C17 | N2 | 122.7° | 119.9° |
| O2 | C17 | C16 | 120.2° | 120.0° |
| C6 | C7 | C2 | 119.2° | 120.3° |
| C7 | C6 | C5 | 120.0° | 120.2° |
| C7 | C6 | H3 | 120.0° | 119.9° |
| C7 | C2 | C1 | 119.6° | 120.0° |
| C7 | C2 | C3 | 119.6° | 120.0° |
| O1 | C9 | C10 | 112.2° | 110.0° |
| O1 | C9 | N1 | 106.4° | 110.0° |
| O1 | C9 | H7 | 112.3° | 110.0° |
| C9 | O1 | H36 | 109.5° | 114.0° |
| C20 | C19 | C18 | 119.6° | 119.9° |
| C20 | C19 | H12 | 120.2° | 120.1° |
| C19 | C20 | H13 | 119.7° | 119.9° |
| C6 | C5 | N1 | 116.4° | 118.3° |
| C6 | C5 | C4 | 121.7° | 119.3° |
| C5 | C6 | H3 | 120.0° | 119.9° |
| C10 | C9 | N1 | 103.7° | 106.7° |
| C9 | C10 | C11 | 103.1° | 105.0° |
| C10 | C9 | H7 | 110.3° | 110.0° |
| C9 | C10 | H8 | 111.0° | 110.4° |
| C9 | C10 | H9 | 111.0° | 110.3° |
| C9 | N1 | C5 | 112.2° | 107.7° |
| C9 | N1 | C25 | 107.1° | 104.8° |
| N1 | C9 | H7 | 111.5° | 110.1° |
| C19 | C18 | N2 | 119.9° | 120.0° |
| C18 | C19 | H12 | 120.2° | 120.0° |
| C18 | N2 | C17 | 125.9° | 120.0° |
| C18 | N2 | H1 | 117.1° | 120.0° |
| C10 | C11 | C25 | 105.8° | 102.3° |
| C10 | C11 | C12 | 113.7° | 110.8° |
| C11 | C10 | H8 | 111.0° | 110.3° |
| C11 | C10 | H9 | 111.0° | 110.3° |
| C10 | C11 | H10 | 106.9° | 110.8° |
| N2 | C17 | C16 | 117.0° | 120.0° |
| C17 | N2 | H1 | 117.0° | 120.0° |
| C17 | C16 | C24 | 117.6° | 120.1° |
| C17 | C16 | C15 | 122.6° | 120.2° |
| C1 | C2 | C3 | 120.9° | 120.0° |
| C2 | C1 | H33 | 109.5° | 109.4° |
| C2 | C1 | H34 | 109.4° | 109.5° |
| C2 | C1 | H35 | 109.5° | 109.4° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | H2 | 119.8° | 120.0° |
| N1 | C5 | C4 | 121.9° | 122.4° |
| C5 | N1 | C25 | 120.3° | 111.9° |
| C5 | C4 | C3 | 119.3° | 120.2° |
| C5 | C4 | N5 | 118.6° | 120.5° |
| N1 | C25 | C11 | 103.1° | 103.4° |
| N1 | C25 | C26 | 106.0° | 110.7° |
| N1 | C25 | C28 | 110.9° | 111.9° |
| C16 | C24 | C12 | 120.5° | 119.8° |
| C24 | C16 | C15 | 119.8° | 119.7° |
| C16 | C24 | H17 | 119.8° | 120.1° |
| C24 | C12 | C11 | 119.5° | 119.9° |
| C24 | C12 | C13 | 119.0° | 120.1° |
| C12 | C24 | H17 | 119.8° | 120.1° |
| O3 | C26 | C25 | 121.7° | 119.7° |
| O3 | C26 | N3 | 120.9° | 119.8° |
| C16 | C15 | C14 | 120.0° | 119.9° |
| C16 | C15 | H11 | 120.0° | 120.1° |
| C25 | C11 | C12 | 116.3° | 110.8° |
| C11 | C25 | C26 | 113.0° | 108.7° |
| C11 | C25 | C28 | 116.4° | 110.6° |
| C25 | C11 | H10 | 106.5° | 110.9° |
| C11 | C12 | C13 | 121.4° | 119.9° |
| C12 | C11 | H10 | 107.1° | 110.9° |
| C3 | C4 | N5 | 122.1° | 119.3° |
| C4 | C3 | H2 | 119.9° | 120.0° |
| C4 | N5 | C28 | 121.1° | 118.2° |
| C4 | N5 | C29 | 119.9° | 120.9° |
| C26 | C25 | C28 | 106.9° | 111.1° |
| C25 | C26 | N3 | 117.4° | 120.5° |
| C25 | C28 | N5 | 119.3° | 119.1° |
| C25 | C28 | N4 | 122.8° | 121.4° |
| C12 | C13 | C14 | 120.9° | 120.3° |
| C12 | C13 | H37 | 119.5° | 119.8° |
| C26 | N3 | C27 | 121.2° | 121.1° |
| C26 | N3 | H39 | 119.4° | 119.4° |
| C15 | C14 | C13 | 119.8° | 120.1° |
| C14 | C15 | H11 | 120.0° | 120.0° |
| C15 | C14 | H38 | 120.1° | 120.0° |
| C28 | N5 | C29 | 119.1° | 120.9° |
| N5 | C28 | N4 | 117.9° | 119.5° |
| N5 | C29 | C30 | 113.2° | 109.5° |
| N5 | C29 | H19 | 108.5° | 109.5° |
| N5 | C29 | H20 | 108.6° | 109.5° |
| C28 | N4 | C27 | 118.8° | 122.2° |
| C14 | C13 | H37 | 119.6° | 119.8° |
| C13 | C14 | H38 | 120.1° | 119.9° |
| N3 | C27 | N4 | 123.1° | 121.9° |
| N3 | C27 | O4 | 118.2° | 119.0° |
| C27 | N3 | H39 | 119.4° | 119.5° |
| O5 | C30 | C29 | 105.0° | 109.5° |
| O5 | C30 | C31 | 105.9° | 109.5° |
| O5 | C30 | H21 | 113.0° | 109.5° |
| C30 | O5 | H41 | 109.5° | 114.0° |
| N4 | C27 | O4 | 118.6° | 119.0° |
| C29 | C30 | C31 | 111.2° | 109.4° |
| C30 | C29 | H19 | 108.6° | 109.5° |
| C30 | C29 | H20 | 108.5° | 109.5° |
| C29 | C30 | H21 | 111.0° | 109.5° |
| C30 | C31 | O6 | 109.0° | 109.5° |
| C30 | C31 | C32 | 116.5° | 109.5° |
| C31 | C30 | H21 | 110.6° | 109.4° |
| C30 | C31 | H22 | 107.9° | 109.5° |
| O16 | C42 | C43 | 113.1° | 110.9° |
| O16 | C42 | C36 | 106.6° | 110.9° |
| O16 | C42 | H31 | 113.5° | 110.8° |
| C42 | O16 | H49 | 109.5° | 114.0° |
| O6 | C31 | C32 | 105.5° | 109.5° |
| O6 | C31 | H22 | 109.9° | 109.5° |
| C31 | O6 | H42 | 109.5° | 114.0° |
| C31 | C32 | O7 | 109.1° | 109.5° |
| C31 | C32 | C33 | 110.8° | 109.5° |
| C32 | C31 | H22 | 108.0° | 109.5° |
| C31 | C32 | H23 | 108.7° | 109.5° |
| C43 | C42 | C36 | 99.3° | 102.1° |
| C42 | C43 | O17 | 108.6° | 110.5° |
| C42 | C43 | C35 | 102.6° | 104.2° |
| C43 | C42 | H31 | 111.6° | 110.9° |
| C42 | C43 | H32 | 111.1° | 110.5° |
| C42 | C36 | N6 | 114.2° | 110.8° |
| C42 | C36 | O15 | 103.2° | 103.5° |
| C42 | C36 | H29 | 109.5° | 110.7° |
| C36 | C42 | H31 | 111.8° | 110.9° |
| O12 | P2 | O13 | 122.8° | 109.4° |
| O12 | P2 | O14 | 108.9° | 109.4° |
| O12 | P2 | O11 | 107.8° | 109.5° |
| O7 | C32 | C33 | 109.2° | 109.4° |
| O7 | C32 | H23 | 110.1° | 109.5° |
| C32 | O7 | H43 | 109.5° | 114.0° |
| O17 | C43 | C35 | 110.3° | 110.5° |
| O17 | C43 | H32 | 112.8° | 110.5° |
| C43 | O17 | H50 | 109.5° | 114.0° |
| C43 | C35 | C34 | 116.3° | 109.9° |
| C43 | C35 | O15 | 105.4° | 107.3° |
| C43 | C35 | H28 | 108.9° | 110.0° |
| C35 | C43 | H32 | 111.0° | 110.5° |
| N7 | C37 | N6 | 113.3° | 109.9° |
| C37 | N7 | C38 | 104.0° | 109.5° |
| N7 | C37 | H46 | 123.4° | 125.1° |
| C37 | N6 | C36 | 127.8° | 126.3° |
| C37 | N6 | C41 | 106.3° | 107.5° |
| N6 | C37 | H46 | 123.4° | 125.0° |
| N7 | C38 | C41 | 110.8° | 107.1° |
| N7 | C38 | C39 | 132.4° | 134.7° |
| O13 | P2 | O14 | 108.6° | 109.5° |
| O13 | P2 | O11 | 107.0° | 109.5° |
| P2 | O13 | H45 | 109.5° | 114.0° |
| C32 | C33 | O8 | 114.1° | 109.5° |
| C33 | C32 | H23 | 109.0° | 109.5° |
| C32 | C33 | H24 | 108.3° | 109.4° |
| C32 | C33 | H25 | 108.3° | 109.5° |
| O14 | P2 | O11 | 99.0° | 109.5° |
| P2 | O14 | C34 | 113.8° | 123.0° |
| P2 | O11 | P1 | 131.9° | 134.0° |
| C36 | N6 | C41 | 125.9° | 126.3° |
| N6 | C36 | O15 | 108.0° | 110.6° |
| N6 | C36 | H29 | 110.4° | 110.5° |
| N6 | C41 | C38 | 105.7° | 106.0° |
| N6 | C41 | N10 | 127.2° | 134.9° |
| C36 | O15 | C35 | 107.9° | 106.9° |
| O15 | C36 | H29 | 111.2° | 110.6° |
| C41 | C38 | C39 | 116.8° | 118.1° |
| C38 | C41 | N10 | 127.1° | 119.1° |
| C38 | C39 | N8 | 123.9° | 120.7° |
| C38 | C39 | N9 | 117.6° | 118.5° |
| C33 | O8 | P1 | 117.1° | 123.0° |
| O8 | C33 | H24 | 108.3° | 109.4° |
| O8 | C33 | H25 | 108.3° | 109.5° |
| N8 | C39 | N9 | 118.4° | 120.8° |
| C39 | N8 | H47 | 109.5° | 120.0° |
| C39 | N8 | H48 | 109.5° | 120.0° |
| C41 | N10 | C40 | 110.7° | 120.6° |
| C34 | C35 | O15 | 106.6° | 109.9° |
| C35 | C34 | O14 | 108.3° | 109.5° |
| C35 | C34 | H26 | 109.8° | 109.5° |
| C35 | C34 | H27 | 109.8° | 109.5° |
| C34 | C35 | H28 | 109.3° | 109.9° |
| O15 | C35 | H28 | 110.2° | 109.9° |
| O14 | C34 | H26 | 109.7° | 109.5° |
| O14 | C34 | H27 | 109.8° | 109.5° |
| C39 | N9 | C40 | 118.8° | 121.2° |
| O8 | P1 | O11 | 101.0° | 109.5° |
| O8 | P1 | O10 | 110.9° | 109.5° |
| O8 | P1 | O9 | 108.3° | 109.5° |
| O11 | P1 | O10 | 104.0° | 109.5° |
| O11 | P1 | O9 | 111.5° | 109.4° |
| N10 | C40 | N9 | 128.9° | 122.4° |
| N10 | C40 | H30 | 115.6° | 118.8° |
| N9 | C40 | H30 | 115.5° | 118.8° |
| O10 | P1 | O9 | 119.5° | 109.4° |
| P1 | O9 | H44 | 109.5° | 114.0° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H8 | C10 | H9 | 109.5° | 110.4° |
| H19 | C29 | H20 | 109.5° | 109.4° |
| H24 | C33 | H25 | 109.5° | 109.5° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H33 | C1 | H34 | 109.5° | 109.5° |
| H33 | C1 | H35 | 109.5° | 109.5° |
| H34 | C1 | H35 | 109.5° | 109.5° |
| H47 | N8 | H48 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H15 | 180.0° | 179.7° |
| C22 | C21 | C20 | H14 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.4° | 0.6° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H13 | 179.5° | 180.0° |
| C21 | C22 | C23 | H16 | 179.6° | 180.0° |
| C23 | C22 | C21 | C20 | 0.3° | 0.3° |
| C22 | C23 | C18 | H16 | 180.0° | 179.5° |
| C22 | C23 | C18 | C19 | 0.3° | 0.6° |
| C22 | C23 | C18 | N2 | 179.9° | 179.7° |
| C23 | C22 | C21 | H14 | 179.7° | 179.7° |
| C8 | C7 | C6 | C2 | 179.4° | 179.8° |
| C8 | C7 | C6 | C5 | 179.7° | 179.8° |
| C8 | C7 | C2 | C1 | 0.0° | 0.1° |
| C8 | C7 | C2 | C3 | 179.4° | 179.7° |
| C8 | C7 | C6 | H3 | 0.4° | 0.1° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H6 | 120.0° | 120.0° |
| C7 | C8 | H5 | H6 | 120.0° | 120.1° |
| C21 | C20 | C19 | H13 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 1.2° | 0.0° |
| C21 | C20 | C19 | H12 | 178.8° | 179.9° |
| C20 | C21 | C22 | H15 | 179.7° | 180.0° |
| C23 | C18 | C19 | C20 | 1.1° | 0.3° |
| C23 | C18 | C19 | N2 | 179.8° | 179.7° |
| C23 | C18 | N2 | C17 | 5.3° | 144.8° |
| C23 | C18 | N2 | H1 | 174.7° | 35.4° |
| C23 | C18 | C19 | H12 | 178.8° | 179.8° |
| C18 | C23 | C22 | H15 | 179.6° | 179.7° |
| O2 | C17 | N2 | C18 | 16.2° | 4.4° |
| O2 | C17 | N2 | C16 | 179.4° | 180.0° |
| O2 | C17 | C16 | C24 | 4.6° | 0.3° |
| O2 | C17 | C16 | C15 | 175.8° | 179.9° |
| O2 | C17 | N2 | H1 | 163.8° | 175.4° |
| C7 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | C7 | C2 | C1 | 179.4° | 179.9° |
| C6 | C7 | C2 | C3 | 0.0° | 0.5° |
| C7 | C6 | C5 | N1 | 179.7° | 179.9° |
| C7 | C6 | C5 | C4 | 0.4° | 0.1° |
| C6 | C7 | C8 | H4 | 90.3° | 90.0° |
| C6 | C7 | C8 | H5 | 149.7° | 150.0° |
| C6 | C7 | C8 | H6 | 29.7° | 29.9° |
| C2 | C7 | C6 | C5 | 0.3° | 0.3° |
| C7 | C2 | C1 | C3 | 179.4° | 179.6° |
| C7 | C2 | C3 | C4 | 0.1° | 0.2° |
| C7 | C2 | C3 | H2 | 179.9° | 180.0° |
| C2 | C7 | C6 | H3 | 179.8° | 179.7° |
| C2 | C7 | C8 | H4 | 90.3° | 89.8° |
| C2 | C7 | C8 | H5 | 29.7° | 30.2° |
| C2 | C7 | C8 | H6 | 149.7° | 150.3° |
| C7 | C2 | C1 | H33 | 90.3° | 90.0° |
| C7 | C2 | C1 | H34 | 149.7° | 150.0° |
| C7 | C2 | C1 | H35 | 29.7° | 30.0° |
| O1 | C9 | C10 | N1 | 114.5° | 119.3° |
| O1 | C9 | C10 | H7 | 126.1° | 121.3° |
| O1 | C9 | N1 | H7 | 122.8° | 121.4° |
| O1 | C9 | C10 | C11 | 80.3° | 116.7° |
| O1 | C9 | N1 | C5 | 150.8° | 149.1° |
| O1 | C9 | N1 | C25 | 75.1° | 91.6° |
| O1 | C9 | C10 | H8 | 38.6° | 2.3° |
| O1 | C9 | C10 | H9 | 160.7° | 124.5° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| C20 | C19 | C18 | N2 | 179.1° | 180.0° |
| C19 | C20 | C21 | H14 | 179.5° | 180.0° |
| C6 | C5 | N1 | C9 | 37.8° | 38.9° |
| C6 | C5 | N1 | C4 | 180.0° | 180.0° |
| C6 | C5 | N1 | C25 | 165.1° | 153.6° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C6 | C5 | C4 | N5 | 179.7° | 179.9° |
| C10 | C9 | N1 | H7 | 118.6° | 119.4° |
| C9 | C10 | C11 | H8 | 119.0° | 119.0° |
| C9 | C10 | C11 | H9 | 119.0° | 118.9° |
| C10 | C9 | N1 | C5 | 90.6° | 91.6° |
| C10 | C9 | N1 | C25 | 43.4° | 27.7° |
| C9 | C10 | C11 | C25 | 13.8° | 21.8° |
| C9 | C10 | C11 | C12 | 115.1° | 140.0° |
| C9 | C10 | H8 | H9 | 123.0° | 122.2° |
| C9 | C10 | C11 | H10 | 127.0° | 96.4° |
| C10 | C9 | O1 | H36 | 91.4° | 61.5° |
| N1 | C9 | C10 | C11 | 34.1° | 2.6° |
| C9 | N1 | C5 | C25 | 127.3° | 114.7° |
| C9 | N1 | C5 | C4 | 142.2° | 141.2° |
| C9 | N1 | C25 | C11 | 33.5° | 41.8° |
| C9 | N1 | C25 | C26 | 85.5° | 74.5° |
| C9 | N1 | C25 | C28 | 158.8° | 160.9° |
| N1 | C9 | C10 | H8 | 153.1° | 121.6° |
| N1 | C9 | C10 | H9 | 84.8° | 116.2° |
| N1 | C9 | O1 | H36 | 21.4° | 178.7° |
| C19 | C18 | N2 | C17 | 174.9° | 35.5° |
| C19 | C18 | N2 | H1 | 5.1° | 144.3° |
| C18 | C19 | C20 | H13 | 178.8° | 180.0° |
| C19 | C18 | C23 | H16 | 179.7° | 179.9° |
| C18 | N2 | C17 | H1 | 180.0° | 179.8° |
| C18 | N2 | C17 | C16 | 164.3° | 175.6° |
| N2 | C18 | C19 | H12 | 1.0° | 0.1° |
| N2 | C18 | C23 | H16 | 0.1° | 0.3° |
| C10 | C11 | C25 | N1 | 10.8° | 39.1° |
| C10 | C11 | C12 | C24 | 23.4° | 36.5° |
| C10 | C11 | C25 | C12 | 127.3° | 118.1° |
| C10 | C11 | C25 | H10 | 113.5° | 118.2° |
| C10 | C11 | C12 | H10 | 117.8° | 123.6° |
| C10 | C11 | C25 | C26 | 103.1° | 78.6° |
| C10 | C11 | C25 | C28 | 132.5° | 159.2° |
| C10 | C11 | C12 | C13 | 156.4° | 143.2° |
| C11 | C10 | C9 | H7 | 153.6° | 122.0° |
| C11 | C10 | H8 | H9 | 122.9° | 122.1° |
| N2 | C17 | C16 | C24 | 174.9° | 179.7° |
| N2 | C17 | C16 | C15 | 4.8° | 0.0° |
| C17 | C16 | C24 | C15 | 179.7° | 179.8° |
| C17 | C16 | C24 | C12 | 179.6° | 179.7° |
| C17 | C16 | C15 | C14 | 179.3° | 180.0° |
| C16 | C17 | N2 | H1 | 15.7° | 4.5° |
| C17 | C16 | C15 | H11 | 0.7° | 0.2° |
| C17 | C16 | C24 | H17 | 0.4° | 0.2° |
| C1 | C2 | C3 | C4 | 179.5° | 179.8° |
| C1 | C2 | C3 | H2 | 0.5° | 0.4° |
| C2 | C1 | H33 | H34 | 120.0° | 120.0° |
| C2 | C1 | H33 | H35 | 120.0° | 119.9° |
| C2 | C1 | H34 | H35 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.2° |
| C2 | C3 | C4 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | N5 | 179.4° | 179.8° |
| C3 | C2 | C1 | H33 | 90.3° | 90.4° |
| C3 | C2 | C1 | H34 | 29.7° | 29.6° |
| C3 | C2 | C1 | H35 | 149.7° | 149.6° |
| C5 | N1 | C25 | C11 | 96.1° | 74.7° |
| N1 | C5 | C4 | C3 | 179.8° | 179.6° |
| N1 | C5 | C4 | N5 | 0.3° | 0.0° |
| C5 | N1 | C25 | C26 | 144.9° | 169.1° |
| C5 | N1 | C25 | C28 | 29.2° | 44.4° |
| N1 | C5 | C6 | H3 | 0.3° | 0.1° |
| C5 | N1 | C9 | H7 | 28.0° | 27.7° |
| C4 | C5 | N1 | C25 | 14.9° | 26.5° |
| C5 | C4 | C3 | N5 | 179.4° | 179.6° |
| C5 | C4 | N5 | C28 | 2.4° | 6.6° |
| C5 | C4 | N5 | C29 | 176.8° | 173.3° |
| C5 | C4 | C3 | H2 | 180.0° | 179.6° |
| C4 | C5 | C6 | H3 | 179.7° | 179.9° |
| N1 | C25 | C26 | O3 | 29.3° | 42.4° |
| N1 | C25 | C11 | C26 | 114.0° | 117.7° |
| N1 | C25 | C11 | C28 | 121.7° | 120.0° |
| N1 | C25 | C11 | C12 | 138.2° | 157.3° |
| N1 | C25 | C26 | C28 | 118.4° | 125.1° |
| N1 | C25 | C26 | N3 | 149.6° | 137.6° |
| N1 | C25 | C28 | N5 | 31.6° | 40.9° |
| N1 | C25 | C28 | N4 | 148.8° | 138.3° |
| C25 | N1 | C9 | H7 | 162.1° | 147.0° |
| N1 | C25 | C11 | H10 | 102.7° | 79.1° |
| C16 | C24 | C12 | H17 | 180.0° | 179.9° |
| C16 | C24 | C12 | C11 | 179.9° | 180.0° |
| C16 | C24 | C12 | C13 | 0.3° | 0.3° |
| C24 | C16 | C15 | C14 | 0.3° | 0.2° |
| C24 | C16 | C15 | H11 | 179.7° | 179.9° |
| C12 | C24 | C16 | C15 | 0.1° | 0.1° |
| C24 | C12 | C11 | C25 | 99.9° | 76.4° |
| C24 | C12 | C11 | C13 | 179.8° | 179.6° |
| C24 | C12 | C13 | C14 | 0.5° | 0.3° |
| C24 | C12 | C11 | H10 | 141.2° | 160.0° |
| C24 | C12 | C13 | H37 | 179.5° | 179.7° |
| O3 | C26 | C25 | C11 | 82.9° | 70.5° |
| O3 | C26 | C25 | N3 | 178.9° | 179.9° |
| O3 | C26 | C25 | C28 | 147.7° | 167.5° |
| O3 | C26 | N3 | C27 | 165.2° | 177.3° |
| O3 | C26 | N3 | H39 | 14.8° | 2.7° |
| C16 | C15 | C14 | H11 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C15 | C16 | C24 | H17 | 179.9° | 180.0° |
| C16 | C15 | C14 | H38 | 179.9° | 179.9° |
| C25 | C11 | C12 | H10 | 118.8° | 123.6° |
| C11 | C25 | C26 | C28 | 129.4° | 121.9° |
| C25 | C11 | C12 | C13 | 80.3° | 104.0° |
| C11 | C25 | C26 | N3 | 98.2° | 109.4° |
| C11 | C25 | C28 | N5 | 85.8° | 73.9° |
| C11 | C25 | C28 | N4 | 93.8° | 106.9° |
| C25 | C11 | C10 | H8 | 132.8° | 97.1° |
| C25 | C11 | C10 | H9 | 105.2° | 140.7° |
| C12 | C11 | C25 | C26 | 24.2° | 39.6° |
| C12 | C11 | C25 | C28 | 100.2° | 82.7° |
| C11 | C12 | C13 | C14 | 179.7° | 180.0° |
| C12 | C11 | C10 | H8 | 3.9° | 21.0° |
| C12 | C11 | C10 | H9 | 126.0° | 101.2° |
| C11 | C12 | C24 | H17 | 0.1° | 0.1° |
| C11 | C12 | C13 | H37 | 0.3° | 0.1° |
| C3 | C4 | N5 | C28 | 177.1° | 173.8° |
| C3 | C4 | N5 | C29 | 3.8° | 6.3° |
| C4 | N5 | C28 | C25 | 19.5° | 14.8° |
| C4 | N5 | C28 | C29 | 179.1° | 179.9° |
| C4 | N5 | C28 | N4 | 160.9° | 164.4° |
| C4 | N5 | C29 | C30 | 84.7° | 90.0° |
| N5 | C4 | C3 | H2 | 0.5° | 0.0° |
| C4 | N5 | C29 | H19 | 154.7° | 30.1° |
| C4 | N5 | C29 | H20 | 35.8° | 150.0° |
| C26 | C25 | C28 | N5 | 146.8° | 165.3° |
| C26 | C25 | C28 | N4 | 33.7° | 13.9° |
| C25 | C26 | N3 | C27 | 13.8° | 2.8° |
| C26 | C25 | C11 | H10 | 143.4° | 163.2° |
| C25 | C26 | N3 | H39 | 166.2° | 177.2° |
| C28 | C25 | C26 | N3 | 31.2° | 12.6° |
| C25 | C28 | N5 | N4 | 179.6° | 179.2° |
| C25 | C28 | N5 | C29 | 159.6° | 165.3° |
| C25 | C28 | N4 | C27 | 15.3° | 5.2° |
| C28 | C25 | C11 | H10 | 19.0° | 41.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H37 | 180.0° | 180.0° |
| C13 | C12 | C11 | H10 | 38.6° | 19.6° |
| C13 | C12 | C24 | H17 | 179.7° | 179.7° |
| C12 | C13 | C14 | H38 | 179.8° | 179.7° |
| C26 | N3 | C27 | H39 | 180.0° | 180.0° |
| C26 | N3 | C27 | N4 | 8.9° | 7.7° |
| C26 | N3 | C27 | O4 | 171.6° | 172.2° |
| C15 | C14 | C13 | H38 | 180.0° | 179.7° |
| C15 | C14 | C13 | H37 | 179.7° | 180.0° |
| N5 | C28 | N4 | C27 | 165.1° | 173.9° |
| C28 | N5 | C29 | C30 | 96.1° | 90.0° |
| C28 | N5 | C29 | H19 | 24.5° | 150.0° |
| C28 | N5 | C29 | H20 | 143.4° | 30.1° |
| C29 | N5 | C28 | N4 | 20.0° | 15.6° |
| N5 | C29 | C30 | O5 | 44.6° | 60.0° |
| N5 | C29 | C30 | H19 | 120.6° | 120.0° |
| N5 | C29 | C30 | H20 | 120.5° | 120.0° |
| N5 | C29 | C30 | C31 | 158.7° | 180.0° |
| N5 | C29 | H19 | H20 | 118.3° | 120.0° |
| N5 | C29 | C30 | H21 | 77.8° | 60.1° |
| C28 | N4 | C27 | N3 | 8.4° | 6.6° |
| C28 | N4 | C27 | O4 | 172.1° | 173.3° |
| C13 | C14 | C15 | H11 | 179.9° | 179.9° |
| N3 | C27 | N4 | O4 | 179.5° | 179.9° |
| O5 | C30 | C29 | C31 | 114.0° | 120.0° |
| O5 | C30 | C29 | H21 | 122.4° | 120.1° |
| O5 | C30 | C31 | H21 | 122.8° | 120.1° |
| O5 | C30 | C31 | O6 | 148.3° | 180.0° |
| O5 | C30 | C31 | C32 | 92.6° | 60.0° |
| O5 | C30 | C29 | H19 | 165.2° | 60.0° |
| O5 | C30 | C29 | H20 | 75.9° | 180.0° |
| O5 | C30 | C31 | H22 | 29.0° | 60.0° |
| N4 | C27 | N3 | H39 | 171.1° | 172.3° |
| C29 | C30 | C31 | H21 | 123.8° | 120.0° |
| C29 | C30 | C31 | O6 | 34.9° | 60.0° |
| C29 | C30 | C31 | C32 | 154.0° | 180.0° |
| C30 | C29 | H19 | H20 | 118.3° | 120.0° |
| C29 | C30 | C31 | H22 | 84.5° | 60.0° |
| C29 | C30 | O5 | H41 | 180.0° | 59.9° |
| O4 | C27 | N3 | H39 | 8.3° | 7.8° |
| C30 | C31 | O6 | C32 | 125.8° | 120.0° |
| C30 | C31 | O6 | H22 | 118.0° | 120.0° |
| C30 | C31 | C32 | H22 | 121.5° | 120.0° |
| C30 | C31 | C32 | O7 | 53.0° | 60.0° |
| C30 | C31 | C32 | C33 | 173.2° | 180.0° |
| C31 | C30 | C29 | H19 | 80.8° | 60.0° |
| C31 | C30 | C29 | H20 | 38.1° | 60.0° |
| C30 | C31 | C32 | H23 | 67.2° | 60.0° |
| C31 | C30 | O5 | H41 | 62.3° | 60.0° |
| C30 | C31 | O6 | H42 | 180.0° | 60.0° |
| O16 | C42 | C43 | C36 | 112.6° | 118.1° |
| O16 | C42 | C43 | H31 | 129.5° | 123.6° |
| O16 | C42 | C36 | H31 | 124.6° | 123.6° |
| O16 | C42 | C43 | O17 | 31.4° | 20.4° |
| O16 | C42 | C43 | C35 | 148.1° | 139.1° |
| O16 | C42 | C36 | N6 | 78.9° | 86.3° |
| O16 | C42 | C36 | O15 | 164.0° | 155.2° |
| O16 | C42 | C36 | H29 | 45.5° | 36.7° |
| O16 | C42 | C43 | H32 | 93.2° | 102.3° |
| O6 | C31 | C32 | H22 | 117.5° | 120.0° |
| O6 | C31 | C32 | O7 | 174.0° | 180.0° |
| O6 | C31 | C32 | C33 | 65.8° | 60.0° |
| O6 | C31 | C30 | H21 | 88.9° | 60.0° |
| O6 | C31 | C32 | H23 | 53.9° | 60.0° |
| C31 | C32 | O7 | C33 | 121.1° | 120.0° |
| C31 | C32 | O7 | H23 | 119.3° | 120.0° |
| C31 | C32 | C33 | H23 | 119.6° | 120.0° |
| C31 | C32 | C33 | O8 | 155.0° | 175.0° |
| C32 | C31 | C30 | H21 | 30.2° | 60.0° |
| C31 | C32 | C33 | H24 | 84.3° | 55.1° |
| C31 | C32 | C33 | H25 | 34.3° | 65.0° |
| C32 | C31 | O6 | H42 | 54.2° | 60.0° |
| C31 | C32 | O7 | H43 | 180.0° | 60.0° |
| C43 | C42 | C36 | H31 | 117.8° | 118.3° |
| C42 | C43 | O17 | C35 | 111.7° | 114.8° |
| C42 | C43 | O17 | H32 | 123.6° | 122.7° |
| C42 | C43 | C35 | H32 | 118.8° | 118.7° |
| C43 | C42 | C36 | N6 | 163.5° | 155.6° |
| C43 | C42 | C36 | O15 | 46.4° | 37.1° |
| C42 | C43 | C35 | C34 | 103.8° | 121.4° |
| C42 | C43 | C35 | O15 | 14.0° | 2.0° |
| C42 | C43 | C35 | H28 | 132.3° | 117.5° |
| C43 | C42 | C36 | H29 | 72.1° | 81.5° |
| C43 | C42 | O16 | H49 | 180.0° | 61.5° |
| C42 | C43 | O17 | H50 | 180.0° | 61.5° |
| C36 | C42 | C43 | O17 | 81.2° | 97.8° |
| C36 | C42 | C43 | C35 | 35.5° | 20.9° |
| C42 | C36 | N6 | C37 | 45.5° | 90.6° |
| C42 | C36 | N6 | O15 | 114.2° | 114.1° |
| C42 | C36 | N6 | H29 | 124.0° | 123.0° |
| C42 | C36 | N6 | C41 | 135.8° | 89.4° |
| C42 | C36 | O15 | H29 | 117.4° | 118.5° |
| C42 | C36 | O15 | C35 | 39.6° | 40.1° |
| C36 | C42 | C43 | H32 | 154.2° | 139.6° |
| C36 | C42 | O16 | H49 | 71.9° | 174.2° |
| O12 | P2 | O13 | O14 | 128.7° | 119.9° |
| O12 | P2 | O13 | O11 | 125.3° | 120.0° |
| O12 | P2 | O14 | O11 | 112.4° | 120.0° |
| O12 | P2 | O14 | C34 | 20.1° | 55.0° |
| O12 | P2 | O11 | P1 | 145.4° | 40.0° |
| O12 | P2 | O13 | H45 | 0.0° | 180.0° |
| O7 | C32 | C33 | H23 | 120.3° | 120.0° |
| O7 | C32 | C33 | O8 | 34.9° | 65.0° |
| O7 | C32 | C31 | H22 | 68.5° | 60.0° |
| O7 | C32 | C33 | H24 | 155.6° | 175.1° |
| O7 | C32 | C33 | H25 | 85.8° | 55.0° |
| O17 | C43 | C35 | H32 | 125.7° | 122.6° |
| O17 | C43 | C35 | C34 | 140.6° | 119.9° |
| O17 | C43 | C35 | O15 | 101.5° | 120.7° |
| O17 | C43 | C35 | H28 | 16.7° | 1.2° |
| O17 | C43 | C42 | H31 | 160.9° | 144.0° |
| C43 | C35 | O15 | C36 | 15.7° | 26.5° |
| C43 | C35 | C34 | O15 | 117.2° | 117.8° |
| C43 | C35 | C34 | H28 | 123.7° | 121.2° |
| C43 | C35 | O15 | H28 | 117.4° | 119.6° |
| C43 | C35 | C34 | O14 | 77.1° | 175.7° |
| C43 | C35 | C34 | H26 | 42.7° | 55.8° |
| C43 | C35 | C34 | H27 | 163.1° | 64.2° |
| C35 | C43 | C42 | H31 | 82.4° | 97.3° |
| C35 | C43 | O17 | H50 | 68.3° | 176.2° |
| N7 | C37 | N6 | H46 | 180.0° | 179.6° |
| N7 | C37 | N6 | C36 | 179.6° | 179.8° |
| N7 | C37 | N6 | C41 | 0.7° | 0.3° |
| C37 | N7 | C38 | C41 | 0.1° | 0.4° |
| C37 | N7 | C38 | C39 | 179.2° | 179.9° |
| N6 | C37 | N7 | C38 | 0.5° | 0.4° |
| C37 | N6 | C36 | C41 | 178.6° | 179.9° |
| C37 | N6 | C36 | O15 | 68.7° | 23.6° |
| C37 | N6 | C41 | C38 | 0.6° | 0.0° |
| C37 | N6 | C41 | N10 | 179.9° | 180.0° |
| C37 | N6 | C36 | H29 | 169.5° | 146.4° |
| N7 | C38 | C41 | N6 | 0.3° | 0.2° |
| N7 | C38 | C41 | C39 | 179.3° | 179.7° |
| N7 | C38 | C39 | N8 | 1.1° | 0.4° |
| N7 | C38 | C41 | N10 | 179.6° | 179.8° |
| N7 | C38 | C39 | N9 | 179.6° | 179.7° |
| C38 | N7 | C37 | H46 | 179.5° | 180.0° |
| O13 | P2 | O14 | O11 | 111.5° | 120.0° |
| O13 | P2 | O14 | C34 | 156.2° | 65.0° |
| O13 | P2 | O11 | P1 | 11.5° | 80.0° |
| C32 | C33 | O8 | H24 | 120.7° | 119.9° |
| C32 | C33 | O8 | H25 | 120.7° | 120.0° |
| C32 | C33 | O8 | P1 | 165.4° | 180.0° |
| C33 | C32 | C31 | H22 | 51.7° | 60.0° |
| C32 | C33 | H24 | H25 | 117.9° | 120.0° |
| C33 | C32 | O7 | H43 | 58.9° | 60.0° |
| P2 | O14 | C34 | C35 | 145.0° | 180.0° |
| O14 | P2 | O11 | P1 | 101.3° | 160.0° |
| P2 | O14 | C34 | H26 | 25.2° | 60.0° |
| P2 | O14 | C34 | H27 | 95.1° | 60.0° |
| O14 | P2 | O13 | H45 | 128.7° | 60.0° |
| O11 | P2 | O14 | C34 | 92.3° | 175.0° |
| P2 | O11 | P1 | O8 | 38.3° | 160.0° |
| P2 | O11 | P1 | O10 | 153.3° | 39.9° |
| P2 | O11 | P1 | O9 | 76.6° | 80.0° |
| O11 | P2 | O13 | H45 | 125.3° | 60.0° |
| N6 | C36 | O15 | H29 | 121.3° | 122.8° |
| C36 | N6 | C41 | C38 | 179.5° | 180.0° |
| C36 | N6 | C41 | N10 | 1.3° | 0.1° |
| N6 | C36 | O15 | C35 | 160.9° | 158.7° |
| N6 | C36 | C42 | H31 | 45.7° | 37.3° |
| C36 | N6 | C37 | H46 | 0.4° | 0.2° |
| C41 | N6 | C36 | O15 | 109.9° | 156.5° |
| N6 | C41 | C38 | N10 | 179.3° | 180.0° |
| N6 | C41 | C38 | C39 | 179.0° | 180.0° |
| N6 | C41 | N10 | C40 | 179.4° | 180.0° |
| C41 | N6 | C36 | H29 | 11.9° | 33.6° |
| C41 | N6 | C37 | H46 | 179.3° | 179.8° |
| C36 | O15 | C35 | C34 | 139.8° | 145.9° |
| C36 | O15 | C35 | H28 | 101.7° | 93.1° |
| O15 | C36 | C42 | H31 | 71.3° | 81.2° |
| C41 | C38 | C39 | N8 | 179.8° | 180.0° |
| C41 | C38 | C39 | N9 | 1.3° | 0.0° |
| C38 | C41 | N10 | C40 | 0.3° | 0.0° |
| C38 | C39 | N8 | N9 | 178.5° | 180.0° |
| C39 | C38 | C41 | N10 | 0.3° | 0.0° |
| C38 | C39 | N9 | C40 | 1.7° | 0.0° |
| C38 | C39 | N8 | H47 | 178.5° | 0.0° |
| C38 | C39 | N8 | H48 | 58.5° | 180.0° |
| C33 | O8 | P1 | O11 | 93.4° | 175.0° |
| C33 | O8 | P1 | O10 | 16.4° | 55.0° |
| C33 | O8 | P1 | O9 | 149.4° | 65.0° |
| O8 | C33 | C32 | H23 | 85.4° | 55.0° |
| O8 | C33 | H24 | H25 | 117.9° | 120.0° |
| N8 | C39 | N9 | C40 | 179.7° | 180.0° |
| C39 | N8 | H47 | H48 | 120.0° | 180.0° |
| C41 | N10 | C40 | N9 | 0.2° | 0.1° |
| C41 | N10 | C40 | H30 | 179.8° | 180.0° |
| C34 | C35 | O15 | H28 | 118.5° | 121.0° |
| C35 | C34 | O14 | H26 | 119.8° | 120.0° |
| C35 | C34 | O14 | H27 | 119.9° | 120.0° |
| C35 | C34 | H26 | H27 | 120.5° | 120.0° |
| C34 | C35 | C43 | H32 | 15.0° | 2.7° |
| O15 | C35 | C34 | O14 | 165.8° | 66.4° |
| O15 | C35 | C34 | H26 | 74.4° | 173.6° |
| O15 | C35 | C34 | H27 | 45.9° | 53.6° |
| C35 | O15 | C36 | H29 | 77.8° | 78.5° |
| O15 | C35 | C43 | H32 | 132.8° | 116.7° |
| O14 | C34 | H26 | H27 | 120.5° | 120.0° |
| O14 | C34 | C35 | H28 | 46.7° | 54.6° |
| C39 | N9 | C40 | N10 | 1.3° | 0.0° |
| C39 | N9 | C40 | H30 | 178.7° | 180.0° |
| N9 | C39 | N8 | H47 | 0.0° | 180.0° |
| N9 | C39 | N8 | H48 | 120.0° | 0.0° |
| O8 | P1 | O11 | O10 | 115.0° | 120.1° |
| O8 | P1 | O11 | O9 | 114.9° | 120.0° |
| O8 | P1 | O10 | O9 | 127.0° | 120.0° |
| P1 | O8 | C33 | H24 | 44.8° | 60.0° |
| P1 | O8 | C33 | H25 | 73.9° | 60.0° |
| O8 | P1 | O9 | H44 | 128.3° | 60.0° |
| O11 | P1 | O10 | O9 | 125.2° | 120.0° |
| O11 | P1 | O9 | H44 | 121.4° | 60.0° |
| N10 | C40 | N9 | H30 | 180.0° | 179.9° |
| O10 | P1 | O9 | H44 | 0.0° | 180.0° |
| H4 | C8 | H5 | H6 | 120.0° | 119.9° |
| H7 | C9 | C10 | H8 | 87.5° | 119.0° |
| H7 | C9 | C10 | H9 | 34.6° | 3.2° |
| H7 | C9 | O1 | H36 | 143.7° | 59.9° |
| H8 | C10 | C11 | H10 | 114.0° | 144.6° |
| H9 | C10 | C11 | H10 | 8.0° | 22.4° |
| H11 | C15 | C14 | H38 | 0.2° | 0.2° |
| H12 | C19 | C20 | H13 | 1.3° | 0.1° |
| H13 | C20 | C21 | H14 | 0.5° | 0.1° |
| H14 | C21 | C22 | H15 | 0.3° | 0.0° |
| H15 | C22 | C23 | H16 | 0.4° | 0.2° |
| H19 | C29 | C30 | H21 | 42.8° | 180.0° |
| H20 | C29 | C30 | H21 | 161.7° | 60.0° |
| H21 | C30 | C31 | H22 | 151.8° | 180.0° |
| H21 | C30 | O5 | H41 | 58.9° | 180.0° |
| H22 | C31 | C32 | H23 | 171.3° | 180.0° |
| H22 | C31 | O6 | H42 | 62.0° | 180.0° |
| H23 | C32 | C33 | H24 | 35.3° | 65.0° |
| H23 | C32 | C33 | H25 | 153.9° | 175.0° |
| H23 | C32 | O7 | H43 | 60.7° | 180.0° |
| H26 | C34 | C35 | H28 | 166.5° | 65.4° |
| H27 | C34 | C35 | H28 | 73.2° | 174.6° |
| H28 | C35 | C43 | H32 | 109.0° | 123.8° |
| H29 | C36 | C42 | H31 | 170.1° | 160.3° |
| H31 | C42 | C43 | H32 | 36.3° | 21.3° |
| H31 | C42 | O16 | H49 | 51.6° | 62.2° |
| H32 | C43 | O17 | H50 | 56.4° | 61.2° |
| H33 | C1 | H34 | H35 | 120.0° | 120.1° |
| H37 | C13 | C14 | H38 | 0.2° | 0.3° |
