XHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.29Å | 1.29Å | Aromatic |
| N1 | N2 | sing | 1.26Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.30Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| O1 | C4 | doub | 1.22Å | 1.22Å | |
| O2 | C12 | sing | 1.43Å | 1.44Å | |
| C3 | S1 | sing | 1.76Å | 1.72Å | Aromatic |
| C3 | N3 | sing | 1.39Å | 1.37Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.54Å | 1.53Å | |
| C12 | N4 | sing | 1.49Å | 1.49Å | |
| C4 | N3 | sing | 1.35Å | 1.38Å | |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C11 | C10 | sing | 1.55Å | 1.53Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | N4 | sing | 1.40Å | 1.42Å | |
| C13 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| N4 | C39 | sing | 1.47Å | 1.47Å | |
| C40 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C40 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| O17 | C38 | doub | 1.21Å | 1.22Å | |
| C10 | C39 | sing | 1.55Å | 1.59Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N5 | sing | 1.40Å | 1.42Å | |
| C39 | C38 | sing | 1.50Å | 1.52Å | |
| C39 | C36 | sing | 1.50Å | 1.53Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | N12 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C36 | sing | 1.36Å | 1.38Å | |
| N5 | C21 | sing | 1.47Å | 1.49Å | |
| C36 | N11 | doub | 1.31Å | 1.30Å | |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C37 | sing | 1.34Å | 1.36Å | |
| O3 | C22 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| N11 | C37 | sing | 1.34Å | 1.32Å | |
| C37 | O16 | doub | 1.22Å | 1.21Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| O14 | C34 | sing | 1.43Å | 1.41Å | |
| C34 | C35 | sing | 1.55Å | 1.53Å | |
| C34 | C28 | sing | 1.55Å | 1.52Å | |
| O11 | P2 | doub | 1.48Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C24 | O5 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C29 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C29 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | O15 | sing | 1.43Å | 1.42Å | |
| C35 | C27 | sing | 1.54Å | 1.54Å | |
| O10 | P2 | sing | 1.61Å | 1.50Å | |
| N7 | C30 | sing | 1.35Å | 1.39Å | Aromatic |
| P2 | O12 | sing | 1.61Å | 1.60Å | |
| P2 | O9 | sing | 1.61Å | 1.59Å | |
| N6 | C28 | sing | 1.47Å | 1.45Å | |
| N6 | C33 | sing | 1.37Å | 1.37Å | Aromatic |
| C28 | O13 | sing | 1.44Å | 1.40Å | |
| C25 | O6 | sing | 1.43Å | 1.46Å | |
| C30 | C33 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| N8 | C31 | sing | 1.38Å | 1.33Å | |
| C33 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C31 | N9 | doub | 1.33Å | 1.35Å | Aromatic |
| O12 | C26 | sing | 1.43Å | 1.44Å | |
| C27 | O13 | sing | 1.44Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.50Å | |
| O9 | P1 | sing | 1.61Å | 1.60Å | |
| O6 | P1 | sing | 1.61Å | 1.60Å | |
| N10 | C32 | doub | 1.32Å | 1.33Å | Aromatic |
| N9 | C32 | sing | 1.32Å | 1.34Å | Aromatic |
| P1 | O8 | doub | 1.48Å | 1.49Å | |
| P1 | O7 | sing | 1.61Å | 1.49Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| N12 | H38 | sing | 0.97Å | 1.00Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| O10 | H41 | sing | 0.97Å | 0.95Å | |
| O14 | H42 | sing | 0.97Å | 0.95Å | |
| O15 | H43 | sing | 0.97Å | 0.95Å | |
| O2 | H44 | sing | 0.97Å | 0.95Å | |
| O3 | H45 | sing | 0.97Å | 0.95Å | |
| O4 | H46 | sing | 0.97Å | 0.95Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O7 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | N2 | 112.8° | 117.9° |
| N1 | C2 | C1 | 124.1° | 126.0° |
| N1 | C2 | S1 | 113.9° | 107.9° |
| N1 | N2 | C3 | 111.8° | 117.7° |
| C1 | C2 | S1 | 122.0° | 126.1° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | S1 | C3 | 86.9° | 88.9° |
| N2 | C3 | S1 | 114.1° | 107.7° |
| N2 | C3 | N3 | 122.3° | 126.1° |
| C16 | C15 | C14 | 120.7° | 119.9° |
| C16 | C15 | C17 | 120.0° | 119.9° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.4° |
| C15 | C16 | H15 | 109.5° | 109.4° |
| O1 | C4 | N3 | 120.7° | 120.0° |
| O1 | C4 | C5 | 120.6° | 120.0° |
| O2 | C12 | C11 | 113.4° | 110.0° |
| O2 | C12 | N4 | 114.9° | 110.0° |
| O2 | C12 | H8 | 109.0° | 110.1° |
| C12 | O2 | H44 | 109.5° | 114.0° |
| S1 | C3 | N3 | 123.5° | 126.2° |
| C3 | N3 | C4 | 124.2° | 120.0° |
| C3 | N3 | H9 | 117.9° | 120.0° |
| C14 | C15 | C17 | 119.3° | 120.3° |
| C15 | C14 | C13 | 120.8° | 120.2° |
| C15 | C14 | H1 | 119.6° | 119.9° |
| C15 | C17 | C18 | 119.6° | 120.0° |
| C15 | C17 | C19 | 119.6° | 120.0° |
| C14 | C13 | N4 | 118.0° | 118.3° |
| C14 | C13 | C20 | 120.3° | 119.4° |
| C13 | C14 | H1 | 119.6° | 119.9° |
| C11 | C12 | N4 | 103.0° | 106.6° |
| C12 | C11 | C10 | 103.8° | 105.1° |
| C12 | C11 | H3 | 110.9° | 110.3° |
| C12 | C11 | H4 | 110.9° | 110.4° |
| C11 | C12 | H8 | 107.8° | 110.1° |
| C12 | N4 | C13 | 109.9° | 107.8° |
| C12 | N4 | C39 | 109.9° | 104.9° |
| N4 | C12 | H8 | 108.4° | 110.0° |
| N3 | C4 | C5 | 118.7° | 120.0° |
| C4 | N3 | H9 | 117.9° | 120.0° |
| C4 | C5 | C40 | 117.2° | 120.2° |
| C4 | C5 | C6 | 123.3° | 120.2° |
| C11 | C10 | C39 | 107.2° | 102.3° |
| C11 | C10 | C9 | 113.6° | 110.9° |
| C10 | C11 | H3 | 110.9° | 110.3° |
| C10 | C11 | H4 | 110.9° | 110.4° |
| C11 | C10 | H7 | 105.9° | 110.9° |
| C18 | C17 | C19 | 120.8° | 120.0° |
| C17 | C18 | H16 | 109.5° | 109.4° |
| C17 | C18 | H17 | 109.4° | 109.5° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C19 | C20 | 120.8° | 120.0° |
| C17 | C19 | H19 | 119.6° | 120.0° |
| N4 | C13 | C20 | 121.6° | 122.4° |
| C13 | N4 | C39 | 121.1° | 112.0° |
| C13 | C20 | C19 | 119.1° | 120.1° |
| C13 | C20 | N5 | 119.0° | 120.6° |
| N4 | C39 | C10 | 102.7° | 103.5° |
| N4 | C39 | C38 | 110.0° | 110.7° |
| N4 | C39 | C36 | 112.7° | 112.0° |
| C5 | C40 | C9 | 120.7° | 119.9° |
| C40 | C5 | C6 | 119.5° | 119.7° |
| C5 | C40 | H36 | 119.7° | 120.1° |
| C40 | C9 | C10 | 119.3° | 119.9° |
| C40 | C9 | C8 | 119.1° | 120.1° |
| C9 | C40 | H36 | 119.6° | 120.0° |
| C5 | C6 | C7 | 119.9° | 119.9° |
| C5 | C6 | H2 | 120.0° | 120.1° |
| O17 | C38 | C39 | 122.0° | 119.8° |
| O17 | C38 | N12 | 120.3° | 119.7° |
| C39 | C10 | C9 | 117.9° | 110.8° |
| C10 | C39 | C38 | 111.9° | 108.7° |
| C10 | C39 | C36 | 114.0° | 110.6° |
| C39 | C10 | H7 | 105.3° | 110.8° |
| C10 | C9 | C8 | 121.6° | 119.9° |
| C9 | C10 | H7 | 106.0° | 110.9° |
| C19 | C20 | N5 | 121.8° | 119.3° |
| C20 | C19 | H19 | 119.6° | 120.0° |
| C20 | N5 | C36 | 121.4° | 118.2° |
| C20 | N5 | C21 | 119.4° | 120.9° |
| C38 | C39 | C36 | 105.7° | 111.1° |
| C39 | C38 | N12 | 117.7° | 120.5° |
| C39 | C36 | N5 | 119.6° | 119.1° |
| C39 | C36 | N11 | 122.5° | 121.4° |
| C9 | C8 | C7 | 120.5° | 120.3° |
| C9 | C8 | H6 | 119.8° | 119.9° |
| C38 | N12 | C37 | 121.8° | 121.1° |
| C38 | N12 | H38 | 119.1° | 119.4° |
| C6 | C7 | C8 | 120.2° | 120.1° |
| C7 | C6 | H2 | 120.0° | 120.1° |
| C6 | C7 | H5 | 119.9° | 120.0° |
| C36 | N5 | C21 | 119.1° | 120.9° |
| N5 | C36 | N11 | 117.9° | 119.5° |
| N5 | C21 | C22 | 112.1° | 109.5° |
| N5 | C21 | H20 | 108.8° | 109.5° |
| N5 | C21 | H21 | 108.8° | 109.5° |
| C36 | N11 | C37 | 119.4° | 122.2° |
| C8 | C7 | H5 | 119.9° | 119.9° |
| C7 | C8 | H6 | 119.8° | 119.8° |
| N12 | C37 | N11 | 122.3° | 121.9° |
| N12 | C37 | O16 | 118.0° | 119.1° |
| C37 | N12 | H38 | 119.1° | 119.5° |
| O3 | C22 | C21 | 109.4° | 109.5° |
| O3 | C22 | C23 | 107.7° | 109.5° |
| O3 | C22 | H22 | 108.8° | 109.5° |
| C22 | O3 | H45 | 109.5° | 114.0° |
| C21 | C22 | C23 | 115.8° | 109.5° |
| C22 | C21 | H20 | 108.8° | 109.5° |
| C22 | C21 | H21 | 108.8° | 109.4° |
| C21 | C22 | H22 | 107.4° | 109.5° |
| N11 | C37 | O16 | 119.8° | 119.0° |
| C22 | C23 | C24 | 112.1° | 109.5° |
| C22 | C23 | O4 | 111.5° | 109.4° |
| C23 | C22 | H22 | 107.4° | 109.5° |
| C22 | C23 | H23 | 107.3° | 109.5° |
| O14 | C34 | C35 | 114.9° | 110.9° |
| O14 | C34 | C28 | 114.0° | 110.9° |
| O14 | C34 | H33 | 110.2° | 110.8° |
| C34 | O14 | H42 | 109.5° | 114.0° |
| C35 | C34 | C28 | 100.0° | 102.1° |
| C34 | C35 | O15 | 111.7° | 110.5° |
| C34 | C35 | C27 | 103.0° | 104.2° |
| C35 | C34 | H33 | 108.5° | 110.9° |
| C34 | C35 | H34 | 109.9° | 110.5° |
| C34 | C28 | N6 | 114.4° | 110.8° |
| C34 | C28 | O13 | 102.8° | 103.5° |
| C34 | C28 | H30 | 109.5° | 110.6° |
| C28 | C34 | H33 | 108.7° | 110.9° |
| O11 | P2 | O10 | 122.9° | 109.5° |
| O11 | P2 | O12 | 107.9° | 109.5° |
| O11 | P2 | O9 | 107.2° | 109.4° |
| C24 | C23 | O4 | 109.7° | 109.5° |
| C23 | C24 | O5 | 109.8° | 109.4° |
| C23 | C24 | C25 | 113.1° | 109.5° |
| C24 | C23 | H23 | 107.3° | 109.5° |
| C23 | C24 | H24 | 107.4° | 109.5° |
| O4 | C23 | H23 | 108.7° | 109.4° |
| C23 | O4 | H46 | 109.5° | 114.0° |
| O5 | C24 | C25 | 110.2° | 109.5° |
| O5 | C24 | H24 | 108.6° | 109.4° |
| C24 | O5 | H47 | 109.5° | 114.0° |
| C24 | C25 | O6 | 109.4° | 109.4° |
| C25 | C24 | H24 | 107.6° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.4° |
| N7 | C29 | N6 | 113.2° | 110.0° |
| C29 | N7 | C30 | 104.3° | 109.5° |
| N7 | C29 | H31 | 123.4° | 125.0° |
| C29 | N6 | C28 | 126.8° | 126.3° |
| C29 | N6 | C33 | 106.2° | 107.4° |
| N6 | C29 | H31 | 123.4° | 125.0° |
| O15 | C35 | C27 | 110.5° | 110.5° |
| O15 | C35 | H34 | 111.5° | 110.6° |
| C35 | O15 | H43 | 109.5° | 114.0° |
| C35 | C27 | O13 | 105.6° | 107.3° |
| C35 | C27 | C26 | 115.5° | 109.9° |
| C35 | C27 | H29 | 108.3° | 110.1° |
| C27 | C35 | H34 | 109.9° | 110.4° |
| O10 | P2 | O12 | 108.5° | 109.5° |
| O10 | P2 | O9 | 106.4° | 109.4° |
| P2 | O10 | H41 | 109.5° | 114.0° |
| N7 | C30 | C33 | 110.6° | 107.2° |
| N7 | C30 | C31 | 132.0° | 134.7° |
| O12 | P2 | O9 | 102.1° | 109.4° |
| P2 | O12 | C26 | 120.1° | 122.9° |
| P2 | O9 | P1 | 130.3° | 134.0° |
| C28 | N6 | C33 | 127.0° | 126.3° |
| N6 | C28 | O13 | 108.5° | 110.6° |
| N6 | C28 | H30 | 110.4° | 110.5° |
| N6 | C33 | C30 | 105.7° | 106.0° |
| N6 | C33 | N10 | 127.8° | 134.9° |
| C28 | O13 | C27 | 107.2° | 107.0° |
| O13 | C28 | H30 | 111.1° | 110.6° |
| C25 | O6 | P1 | 119.5° | 122.9° |
| O6 | C25 | H25 | 109.5° | 109.5° |
| O6 | C25 | H26 | 109.5° | 109.5° |
| C33 | C30 | C31 | 117.4° | 118.1° |
| C30 | C33 | N10 | 126.5° | 119.1° |
| C30 | C31 | N8 | 123.3° | 120.8° |
| C30 | C31 | N9 | 117.5° | 118.5° |
| N8 | C31 | N9 | 119.2° | 120.8° |
| C31 | N8 | H39 | 109.5° | 120.0° |
| C31 | N8 | H40 | 109.5° | 120.0° |
| C33 | N10 | C32 | 110.8° | 120.7° |
| C31 | N9 | C32 | 118.4° | 121.2° |
| O12 | C26 | C27 | 107.5° | 109.5° |
| O12 | C26 | H27 | 110.0° | 109.5° |
| O12 | C26 | H28 | 110.0° | 109.5° |
| O13 | C27 | C26 | 109.2° | 109.8° |
| O13 | C27 | H29 | 109.4° | 109.8° |
| C27 | C26 | H27 | 109.9° | 109.4° |
| C27 | C26 | H28 | 109.9° | 109.5° |
| C26 | C27 | H29 | 108.7° | 109.9° |
| O9 | P1 | O6 | 101.7° | 109.4° |
| O9 | P1 | O8 | 105.9° | 109.5° |
| O9 | P1 | O7 | 111.0° | 109.5° |
| O6 | P1 | O8 | 113.2° | 109.5° |
| O6 | P1 | O7 | 101.0° | 109.4° |
| N10 | C32 | N9 | 129.4° | 122.5° |
| N10 | C32 | H32 | 115.3° | 118.8° |
| N9 | C32 | H32 | 115.3° | 118.8° |
| O8 | P1 | O7 | 122.3° | 109.5° |
| P1 | O7 | H48 | 109.5° | 114.0° |
| H3 | C11 | H4 | 109.5° | 110.3° |
| H10 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.4° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H39 | N8 | H40 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C1 | S1 | 179.3° | 180.0° |
| C2 | N1 | N2 | C3 | 6.0° | 0.0° |
| N1 | C2 | S1 | C3 | 6.5° | 0.0° |
| N1 | C2 | C1 | H10 | 0.0° | 90.0° |
| N1 | C2 | C1 | H11 | 120.0° | 150.0° |
| N1 | C2 | C1 | H12 | 120.0° | 30.0° |
| N2 | N1 | C2 | C1 | 170.9° | 180.0° |
| N2 | N1 | C2 | S1 | 8.4° | 0.0° |
| N1 | N2 | C3 | S1 | 1.0° | 0.1° |
| N1 | N2 | C3 | N3 | 176.5° | 180.0° |
| C1 | C2 | S1 | C3 | 172.9° | 180.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | S1 | C3 | N2 | 2.9° | 0.0° |
| C2 | S1 | C3 | N3 | 179.7° | 180.0° |
| S1 | C2 | C1 | H10 | 179.3° | 90.0° |
| S1 | C2 | C1 | H11 | 59.3° | 30.0° |
| S1 | C2 | C1 | H12 | 60.7° | 150.0° |
| N2 | C3 | S1 | N3 | 177.4° | 179.9° |
| N2 | C3 | N3 | C4 | 21.1° | 0.1° |
| N2 | C3 | N3 | H9 | 158.9° | 180.0° |
| C16 | C15 | C14 | C17 | 179.2° | 179.9° |
| C16 | C15 | C14 | C13 | 178.3° | 180.0° |
| C16 | C15 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | C17 | C19 | 179.8° | 179.9° |
| C16 | C15 | C14 | H1 | 1.7° | 0.3° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 119.9° |
| O1 | C4 | N3 | C3 | 1.0° | 0.3° |
| O1 | C4 | N3 | C5 | 179.9° | 179.7° |
| O1 | C4 | C5 | C40 | 3.8° | 0.5° |
| O1 | C4 | C5 | C6 | 177.3° | 179.7° |
| O1 | C4 | N3 | H9 | 179.0° | 179.7° |
| O2 | C12 | C11 | N4 | 124.8° | 119.3° |
| O2 | C12 | C11 | H8 | 120.8° | 121.4° |
| O2 | C12 | N4 | H8 | 122.1° | 121.4° |
| O2 | C12 | C11 | C10 | 91.2° | 116.6° |
| O2 | C12 | N4 | C13 | 137.8° | 148.8° |
| O2 | C12 | N4 | C39 | 86.5° | 91.7° |
| O2 | C12 | C11 | H3 | 27.9° | 124.5° |
| O2 | C12 | C11 | H4 | 149.7° | 2.4° |
| S1 | C3 | N3 | C4 | 156.0° | 180.0° |
| S1 | C3 | N3 | H9 | 23.9° | 0.1° |
| C3 | N3 | C4 | H9 | 180.0° | 180.0° |
| C3 | N3 | C4 | C5 | 178.9° | 180.0° |
| C15 | C14 | C13 | H1 | 180.0° | 179.7° |
| C14 | C15 | C17 | C18 | 178.9° | 179.9° |
| C14 | C15 | C17 | C19 | 0.6° | 0.2° |
| C15 | C14 | C13 | N4 | 179.7° | 179.9° |
| C15 | C14 | C13 | C20 | 3.6° | 0.1° |
| C14 | C15 | C16 | H13 | 90.4° | 90.0° |
| C14 | C15 | C16 | H14 | 149.6° | 150.0° |
| C14 | C15 | C16 | H15 | 29.6° | 30.1° |
| C17 | C15 | C14 | C13 | 2.4° | 0.1° |
| C15 | C17 | C18 | C19 | 179.5° | 179.9° |
| C15 | C17 | C19 | C20 | 0.1° | 0.4° |
| C17 | C15 | C14 | H1 | 177.6° | 179.8° |
| C17 | C15 | C16 | H13 | 90.4° | 89.9° |
| C17 | C15 | C16 | H14 | 29.7° | 30.1° |
| C17 | C15 | C16 | H15 | 149.6° | 150.1° |
| C15 | C17 | C18 | H16 | 90.3° | 90.0° |
| C15 | C17 | C18 | H17 | 149.7° | 149.9° |
| C15 | C17 | C18 | H18 | 29.8° | 29.9° |
| C15 | C17 | C19 | H19 | 179.9° | 180.0° |
| C14 | C13 | N4 | C12 | 41.7° | 38.8° |
| C14 | C13 | N4 | C20 | 176.1° | 180.0° |
| C14 | C13 | N4 | C39 | 171.7° | 153.7° |
| C14 | C13 | C20 | C19 | 2.9° | 0.3° |
| C14 | C13 | C20 | N5 | 178.9° | 179.6° |
| C11 | C12 | N4 | H8 | 114.0° | 119.3° |
| C12 | C11 | C10 | H3 | 119.1° | 118.9° |
| C12 | C11 | C10 | H4 | 119.1° | 119.0° |
| C11 | C12 | N4 | C13 | 98.4° | 91.9° |
| C11 | C12 | N4 | C39 | 37.4° | 27.6° |
| C12 | C11 | C10 | C39 | 19.6° | 21.7° |
| C12 | C11 | C10 | C9 | 112.4° | 139.9° |
| C12 | C11 | H3 | H4 | 122.7° | 122.1° |
| C12 | C11 | C10 | H7 | 131.7° | 96.5° |
| C11 | C12 | O2 | H44 | 93.3° | 61.5° |
| N4 | C12 | C11 | C10 | 33.6° | 2.7° |
| C12 | N4 | C13 | C39 | 130.0° | 114.9° |
| C12 | N4 | C13 | C20 | 134.3° | 141.3° |
| C12 | N4 | C39 | C10 | 24.3° | 41.7° |
| C12 | N4 | C39 | C38 | 94.9° | 74.6° |
| C12 | N4 | C39 | C36 | 147.4° | 160.8° |
| N4 | C12 | C11 | H3 | 152.7° | 116.3° |
| N4 | C12 | C11 | H4 | 85.5° | 121.7° |
| N4 | C12 | O2 | H44 | 24.9° | 178.7° |
| N3 | C4 | C5 | C40 | 176.1° | 179.7° |
| N3 | C4 | C5 | C6 | 2.8° | 0.0° |
| C4 | C5 | C40 | C6 | 178.9° | 179.8° |
| C4 | C5 | C40 | C9 | 179.8° | 179.7° |
| C4 | C5 | C6 | C7 | 179.2° | 180.0° |
| C4 | C5 | C6 | H2 | 0.7° | 0.0° |
| C5 | C4 | N3 | H9 | 1.2° | 0.0° |
| C4 | C5 | C40 | H36 | 0.2° | 0.1° |
| C11 | C10 | C39 | N4 | 1.9° | 39.0° |
| C11 | C10 | C9 | C40 | 28.2° | 36.1° |
| C11 | C10 | C39 | C9 | 129.6° | 118.2° |
| C11 | C10 | C39 | H7 | 112.4° | 118.2° |
| C11 | C10 | C9 | H7 | 115.8° | 123.6° |
| C11 | C10 | C39 | C38 | 115.9° | 78.7° |
| C11 | C10 | C39 | C36 | 124.2° | 159.1° |
| C11 | C10 | C9 | C8 | 151.3° | 143.6° |
| C10 | C11 | H3 | H4 | 122.7° | 122.2° |
| C10 | C11 | C12 | H8 | 148.0° | 122.0° |
| C18 | C17 | C19 | C20 | 179.6° | 179.8° |
| C17 | C18 | H16 | H17 | 120.0° | 120.0° |
| C17 | C18 | H16 | H18 | 120.0° | 120.0° |
| C17 | C18 | H17 | H18 | 120.0° | 120.0° |
| C18 | C17 | C19 | H19 | 0.4° | 0.1° |
| C17 | C19 | C20 | C13 | 1.0° | 0.4° |
| C17 | C19 | C20 | H19 | 180.0° | 179.7° |
| C17 | C19 | C20 | N5 | 179.2° | 179.7° |
| C19 | C17 | C18 | H16 | 90.3° | 90.1° |
| C19 | C17 | C18 | H17 | 29.7° | 29.9° |
| C19 | C17 | C18 | H18 | 149.7° | 150.0° |
| C13 | N4 | C39 | C10 | 105.7° | 75.0° |
| N4 | C13 | C20 | C19 | 178.8° | 179.7° |
| N4 | C13 | C20 | N5 | 2.9° | 0.4° |
| C13 | N4 | C39 | C38 | 135.1° | 168.7° |
| C13 | N4 | C39 | C36 | 17.5° | 44.2° |
| N4 | C13 | C14 | H1 | 0.2° | 0.1° |
| C13 | N4 | C12 | H8 | 15.6° | 27.4° |
| C20 | C13 | N4 | C39 | 4.3° | 26.3° |
| C13 | C20 | C19 | N5 | 178.2° | 179.3° |
| C13 | C20 | N5 | C36 | 5.4° | 5.7° |
| C13 | C20 | N5 | C21 | 178.1° | 174.3° |
| C20 | C13 | C14 | H1 | 176.4° | 179.9° |
| C13 | C20 | C19 | H19 | 179.0° | 179.9° |
| N4 | C39 | C38 | O17 | 26.3° | 42.8° |
| N4 | C39 | C10 | C38 | 117.9° | 117.7° |
| N4 | C39 | C10 | C36 | 122.2° | 120.1° |
| N4 | C39 | C10 | C9 | 131.5° | 157.2° |
| N4 | C39 | C38 | C36 | 121.9° | 125.1° |
| N4 | C39 | C38 | N12 | 154.0° | 137.2° |
| N4 | C39 | C36 | N5 | 25.3° | 41.0° |
| N4 | C39 | C36 | N11 | 156.2° | 138.0° |
| N4 | C39 | C10 | H7 | 110.5° | 79.2° |
| C39 | N4 | C12 | H8 | 151.4° | 146.9° |
| C5 | C40 | C9 | H36 | 180.0° | 179.7° |
| C5 | C40 | C9 | C10 | 179.5° | 179.7° |
| C5 | C40 | C9 | C8 | 1.0° | 0.6° |
| C40 | C5 | C6 | C7 | 0.4° | 0.2° |
| C40 | C5 | C6 | H2 | 179.6° | 179.7° |
| C9 | C40 | C5 | C6 | 0.8° | 0.6° |
| C40 | C9 | C10 | C39 | 98.4° | 76.8° |
| C40 | C9 | C10 | C8 | 179.5° | 179.7° |
| C40 | C9 | C8 | C7 | 0.7° | 0.2° |
| C40 | C9 | C8 | H6 | 179.3° | 179.7° |
| C40 | C9 | C10 | H7 | 144.0° | 159.7° |
| C5 | C6 | C7 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.1° |
| C5 | C6 | C7 | H5 | 179.9° | 180.0° |
| C6 | C5 | C40 | H36 | 179.2° | 179.7° |
| O17 | C38 | C39 | C10 | 87.1° | 70.2° |
| O17 | C38 | C39 | N12 | 179.7° | 180.0° |
| O17 | C38 | C39 | C36 | 148.2° | 167.9° |
| O17 | C38 | N12 | C37 | 165.4° | 177.6° |
| O17 | C38 | N12 | H38 | 14.6° | 2.5° |
| C39 | C10 | C9 | H7 | 117.6° | 123.5° |
| C10 | C39 | C38 | C36 | 124.7° | 122.0° |
| C39 | C10 | C9 | C8 | 82.1° | 103.5° |
| C10 | C39 | C38 | N12 | 92.5° | 109.8° |
| C10 | C39 | C36 | N5 | 91.3° | 73.8° |
| C10 | C39 | C36 | N11 | 87.3° | 107.2° |
| C39 | C10 | C11 | H3 | 138.7° | 140.6° |
| C39 | C10 | C11 | H4 | 99.5° | 97.3° |
| C9 | C10 | C39 | C38 | 13.7° | 39.5° |
| C9 | C10 | C39 | C36 | 106.2° | 82.7° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C9 | C10 | C11 | H3 | 6.7° | 101.1° |
| C9 | C10 | C11 | H4 | 128.5° | 20.9° |
| C10 | C9 | C8 | H6 | 0.2° | 0.0° |
| C10 | C9 | C40 | H36 | 0.5° | 0.0° |
| C19 | C20 | N5 | C36 | 172.8° | 173.6° |
| C19 | C20 | N5 | C21 | 3.7° | 6.4° |
| C20 | N5 | C36 | C39 | 20.1° | 15.5° |
| C20 | N5 | C36 | C21 | 176.5° | 180.0° |
| C20 | N5 | C36 | N11 | 161.3° | 163.5° |
| C20 | N5 | C21 | C22 | 92.1° | 90.0° |
| N5 | C20 | C19 | H19 | 0.8° | 0.6° |
| C20 | N5 | C21 | H20 | 147.5° | 30.0° |
| C20 | N5 | C21 | H21 | 28.3° | 150.0° |
| C38 | C39 | C36 | N5 | 145.4° | 165.4° |
| C38 | C39 | C36 | N11 | 36.0° | 13.6° |
| C39 | C38 | N12 | C37 | 14.9° | 2.4° |
| C38 | C39 | C10 | H7 | 131.6° | 163.1° |
| C39 | C38 | N12 | H38 | 165.1° | 177.5° |
| C36 | C39 | C38 | N12 | 32.1° | 12.1° |
| C39 | C36 | N5 | N11 | 178.6° | 179.0° |
| C39 | C36 | N5 | C21 | 163.4° | 164.5° |
| C39 | C36 | N11 | C37 | 19.4° | 5.3° |
| C36 | C39 | C10 | H7 | 11.7° | 40.8° |
| C9 | C8 | C7 | C6 | 0.3° | 0.1° |
| C9 | C8 | C7 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 179.7° | 180.0° |
| C8 | C9 | C10 | H7 | 35.5° | 20.0° |
| C8 | C9 | C40 | H36 | 179.0° | 179.7° |
| C38 | N12 | C37 | H38 | 180.0° | 179.9° |
| C38 | N12 | C37 | N11 | 6.5° | 7.7° |
| C38 | N12 | C37 | O16 | 175.2° | 172.3° |
| C6 | C7 | C8 | H5 | 180.0° | 179.9° |
| C6 | C7 | C8 | H6 | 179.7° | 180.0° |
| C36 | N5 | C21 | C22 | 84.5° | 89.9° |
| N5 | C36 | N11 | C37 | 162.1° | 173.8° |
| C36 | N5 | C21 | H20 | 35.9° | 150.0° |
| C36 | N5 | C21 | H21 | 155.1° | 30.0° |
| C21 | N5 | C36 | N11 | 15.3° | 16.4° |
| N5 | C21 | C22 | O3 | 67.8° | 60.0° |
| N5 | C21 | C22 | H20 | 120.4° | 120.0° |
| N5 | C21 | C22 | H21 | 120.4° | 120.0° |
| N5 | C21 | C22 | C23 | 170.2° | 180.0° |
| N5 | C21 | H20 | H21 | 118.8° | 120.0° |
| N5 | C21 | C22 | H22 | 50.2° | 60.0° |
| C36 | N11 | C37 | N12 | 4.6° | 6.4° |
| C36 | N11 | C37 | O16 | 177.2° | 173.6° |
| C8 | C7 | C6 | H2 | 179.9° | 179.9° |
| N12 | C37 | N11 | O16 | 178.3° | 180.0° |
| O3 | C22 | C21 | C23 | 122.0° | 120.0° |
| O3 | C22 | C21 | H22 | 118.0° | 120.0° |
| O3 | C22 | C23 | H22 | 117.1° | 120.0° |
| O3 | C22 | C23 | C24 | 3.1° | 55.0° |
| O3 | C22 | C23 | O4 | 126.5° | 65.1° |
| O3 | C22 | C21 | H20 | 171.8° | 60.0° |
| O3 | C22 | C21 | H21 | 52.6° | 180.0° |
| O3 | C22 | C23 | H23 | 114.5° | 175.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 119.8° | 175.0° |
| C21 | C22 | C23 | O4 | 3.6° | 55.0° |
| C22 | C21 | H20 | H21 | 118.8° | 119.9° |
| C21 | C22 | C23 | H23 | 122.6° | 65.0° |
| C21 | C22 | O3 | H45 | 180.0° | 60.0° |
| N11 | C37 | N12 | H38 | 173.5° | 172.4° |
| O16 | C37 | N12 | H38 | 4.8° | 7.7° |
| C22 | C23 | C24 | O4 | 124.5° | 120.0° |
| C22 | C23 | C24 | H23 | 117.6° | 120.0° |
| C22 | C23 | O4 | H23 | 118.2° | 119.9° |
| C22 | C23 | C24 | O5 | 74.6° | 60.0° |
| C22 | C23 | C24 | C25 | 161.9° | 180.0° |
| C23 | C22 | C21 | H20 | 49.8° | 60.0° |
| C23 | C22 | C21 | H21 | 69.4° | 60.0° |
| C22 | C23 | C24 | H24 | 43.3° | 59.9° |
| C23 | C22 | O3 | H45 | 53.3° | 60.0° |
| C22 | C23 | O4 | H46 | 180.0° | 60.0° |
| O14 | C34 | C35 | C28 | 122.4° | 118.2° |
| O14 | C34 | C35 | H33 | 123.8° | 123.6° |
| O14 | C34 | C28 | H33 | 123.4° | 123.6° |
| O14 | C34 | C35 | O15 | 36.1° | 20.4° |
| O14 | C34 | C35 | C27 | 154.7° | 139.1° |
| O14 | C34 | C28 | N6 | 73.6° | 86.2° |
| O14 | C34 | C28 | O13 | 168.9° | 155.2° |
| O14 | C34 | C28 | H30 | 50.8° | 36.7° |
| O14 | C34 | C35 | H34 | 88.3° | 102.3° |
| C35 | C34 | C28 | H33 | 113.6° | 118.2° |
| C34 | C35 | O15 | C27 | 114.0° | 114.8° |
| C34 | C35 | O15 | H34 | 123.4° | 122.7° |
| C34 | C35 | C27 | H34 | 117.1° | 118.7° |
| C35 | C34 | C28 | N6 | 163.3° | 155.6° |
| C35 | C34 | C28 | O13 | 45.9° | 37.0° |
| C34 | C35 | C27 | O13 | 9.0° | 2.0° |
| C34 | C35 | C27 | C26 | 111.8° | 121.4° |
| C34 | C35 | C27 | H29 | 126.1° | 117.4° |
| C35 | C34 | C28 | H30 | 72.3° | 81.5° |
| C35 | C34 | O14 | H42 | 180.0° | 61.4° |
| C34 | C35 | O15 | H43 | 180.0° | 61.5° |
| C34 | C28 | N6 | C29 | 36.8° | 90.6° |
| C28 | C34 | C35 | O15 | 86.4° | 97.8° |
| C28 | C34 | C35 | C27 | 32.2° | 20.9° |
| C34 | C28 | N6 | O13 | 114.1° | 114.2° |
| C34 | C28 | N6 | H30 | 123.9° | 123.0° |
| C34 | C28 | N6 | C33 | 142.3° | 89.4° |
| C34 | C28 | O13 | H30 | 117.0° | 118.5° |
| C34 | C28 | O13 | C27 | 42.1° | 40.0° |
| C28 | C34 | C35 | H34 | 149.3° | 139.5° |
| C28 | C34 | O14 | H42 | 65.5° | 174.1° |
| O11 | P2 | O10 | O12 | 127.0° | 120.1° |
| O11 | P2 | O10 | O9 | 123.9° | 120.0° |
| O11 | P2 | O12 | O9 | 112.8° | 119.9° |
| O11 | P2 | O12 | C26 | 33.0° | 55.0° |
| O11 | P2 | O9 | P1 | 161.5° | 40.0° |
| O11 | P2 | O10 | H41 | 0.0° | 180.0° |
| C24 | C23 | O4 | H23 | 117.1° | 120.0° |
| C23 | C24 | O5 | C25 | 125.2° | 120.0° |
| C23 | C24 | O5 | H24 | 117.1° | 120.0° |
| C23 | C24 | C25 | H24 | 118.4° | 120.0° |
| C23 | C24 | C25 | O6 | 130.0° | 175.0° |
| C24 | C23 | C22 | H22 | 120.2° | 65.0° |
| C23 | C24 | C25 | H25 | 10.0° | 64.9° |
| C23 | C24 | C25 | H26 | 110.0° | 55.0° |
| C24 | C23 | O4 | H46 | 55.2° | 60.0° |
| C23 | C24 | O5 | H47 | 180.0° | 60.0° |
| O4 | C23 | C24 | O5 | 160.9° | 180.0° |
| O4 | C23 | C24 | C25 | 37.4° | 60.0° |
| O4 | C23 | C22 | H22 | 116.4° | 175.0° |
| O4 | C23 | C24 | H24 | 81.2° | 60.0° |
| O5 | C24 | C25 | H24 | 118.3° | 120.0° |
| O5 | C24 | C25 | O6 | 6.7° | 65.0° |
| O5 | C24 | C23 | H23 | 43.0° | 60.0° |
| O5 | C24 | C25 | H25 | 113.2° | 55.0° |
| O5 | C24 | C25 | H26 | 126.7° | 175.0° |
| C24 | C25 | O6 | H25 | 120.0° | 120.0° |
| C24 | C25 | O6 | H26 | 120.0° | 120.0° |
| C24 | C25 | O6 | P1 | 161.9° | 180.0° |
| C25 | C24 | C23 | H23 | 80.5° | 60.0° |
| C24 | C25 | H25 | H26 | 120.0° | 119.9° |
| C25 | C24 | O5 | H47 | 54.8° | 60.0° |
| N7 | C29 | N6 | H31 | 180.0° | 179.7° |
| N7 | C29 | N6 | C28 | 179.7° | 180.0° |
| N7 | C29 | N6 | C33 | 0.4° | 0.0° |
| C29 | N7 | C30 | C33 | 0.0° | 0.0° |
| C29 | N7 | C30 | C31 | 179.3° | 179.9° |
| N6 | C29 | N7 | C30 | 0.2° | 0.0° |
| C29 | N6 | C28 | C33 | 179.2° | 180.0° |
| C29 | N6 | C28 | O13 | 77.3° | 23.6° |
| C29 | N6 | C33 | C30 | 0.3° | 0.0° |
| C29 | N6 | C33 | N10 | 179.5° | 179.9° |
| C29 | N6 | C28 | H30 | 160.8° | 146.4° |
| O15 | C35 | C27 | H34 | 123.5° | 122.6° |
| O15 | C35 | C27 | O13 | 110.4° | 120.7° |
| O15 | C35 | C27 | C26 | 128.8° | 119.9° |
| O15 | C35 | C27 | H29 | 6.8° | 1.3° |
| O15 | C35 | C34 | H33 | 159.9° | 144.0° |
| C35 | C27 | O13 | C28 | 20.5° | 26.5° |
| C35 | C27 | C26 | O12 | 56.8° | 175.7° |
| C35 | C27 | O13 | C26 | 124.8° | 119.4° |
| C35 | C27 | O13 | H29 | 116.4° | 119.6° |
| C35 | C27 | C26 | H29 | 121.8° | 121.3° |
| C35 | C27 | C26 | H27 | 176.5° | 55.8° |
| C35 | C27 | C26 | H28 | 62.9° | 64.2° |
| C27 | C35 | C34 | H33 | 81.5° | 97.3° |
| C27 | C35 | O15 | H43 | 66.0° | 176.3° |
| O10 | P2 | O12 | O9 | 112.1° | 120.0° |
| O10 | P2 | O12 | C26 | 168.2° | 65.1° |
| O10 | P2 | O9 | P1 | 28.4° | 80.0° |
| N7 | C30 | C33 | N6 | 0.2° | 0.0° |
| N7 | C30 | C33 | C31 | 179.4° | 179.9° |
| N7 | C30 | C31 | N8 | 0.9° | 0.1° |
| N7 | C30 | C33 | N10 | 179.6° | 179.9° |
| N7 | C30 | C31 | N9 | 179.6° | 180.0° |
| C30 | N7 | C29 | H31 | 179.8° | 179.7° |
| P2 | O12 | C26 | C27 | 132.5° | 179.9° |
| O12 | P2 | O9 | P1 | 85.2° | 160.0° |
| P2 | O12 | C26 | H27 | 107.8° | 60.0° |
| P2 | O12 | C26 | H28 | 12.8° | 60.0° |
| O12 | P2 | O10 | H41 | 126.9° | 59.9° |
| O9 | P2 | O12 | C26 | 79.8° | 175.0° |
| P2 | O9 | P1 | O6 | 58.8° | 160.0° |
| P2 | O9 | P1 | O8 | 177.2° | 40.0° |
| P2 | O9 | P1 | O7 | 48.0° | 80.0° |
| O9 | P2 | O10 | H41 | 123.9° | 60.0° |
| N6 | C28 | O13 | H30 | 121.5° | 122.8° |
| C28 | N6 | C33 | C30 | 179.7° | 180.0° |
| C28 | N6 | C33 | N10 | 0.2° | 0.0° |
| N6 | C28 | O13 | C27 | 163.6° | 158.7° |
| C28 | N6 | C29 | H31 | 0.3° | 0.3° |
| N6 | C28 | C34 | H33 | 49.7° | 37.4° |
| C33 | N6 | C28 | O13 | 103.5° | 156.4° |
| N6 | C33 | C30 | N10 | 179.9° | 180.0° |
| N6 | C33 | C30 | C31 | 179.2° | 180.0° |
| N6 | C33 | N10 | C32 | 179.3° | 180.0° |
| C33 | N6 | C28 | H30 | 18.4° | 33.6° |
| C33 | N6 | C29 | H31 | 179.6° | 179.7° |
| C28 | O13 | C27 | C26 | 145.3° | 145.9° |
| C28 | O13 | C27 | H29 | 95.8° | 93.1° |
| O13 | C28 | C34 | H33 | 67.7° | 81.2° |
| C25 | O6 | P1 | O9 | 79.5° | 175.0° |
| C25 | O6 | P1 | O8 | 33.6° | 55.0° |
| C25 | O6 | P1 | O7 | 166.0° | 65.0° |
| O6 | C25 | C24 | H24 | 111.6° | 55.0° |
| O6 | C25 | H25 | H26 | 120.0° | 120.1° |
| C33 | C30 | C31 | N8 | 179.9° | 180.0° |
| C33 | C30 | C31 | N9 | 0.4° | 0.1° |
| C30 | C33 | N10 | C32 | 0.9° | 0.0° |
| C30 | C31 | N8 | N9 | 179.5° | 180.0° |
| C31 | C30 | C33 | N10 | 1.0° | 0.0° |
| C30 | C31 | N9 | C32 | 0.1° | 0.1° |
| C30 | C31 | N8 | H39 | 179.5° | 0.0° |
| C30 | C31 | N8 | H40 | 60.5° | 180.0° |
| N8 | C31 | N9 | C32 | 179.4° | 179.9° |
| C31 | N8 | H39 | H40 | 120.0° | 180.0° |
| C33 | N10 | C32 | N9 | 0.3° | 0.1° |
| C33 | N10 | C32 | H32 | 179.7° | 180.0° |
| C31 | N9 | C32 | N10 | 0.2° | 0.1° |
| C31 | N9 | C32 | H32 | 179.8° | 180.0° |
| N9 | C31 | N8 | H39 | 0.0° | 180.0° |
| N9 | C31 | N8 | H40 | 120.0° | 0.0° |
| O12 | C26 | C27 | O13 | 175.6° | 66.5° |
| O12 | C26 | C27 | H27 | 119.7° | 120.0° |
| O12 | C26 | C27 | H28 | 119.7° | 120.1° |
| O12 | C26 | H27 | H28 | 120.9° | 120.1° |
| O12 | C26 | C27 | H29 | 65.1° | 54.5° |
| O13 | C27 | C26 | H29 | 119.3° | 120.9° |
| O13 | C27 | C26 | H27 | 64.7° | 173.5° |
| O13 | C27 | C26 | H28 | 55.9° | 53.6° |
| C27 | O13 | C28 | H30 | 74.9° | 78.5° |
| O13 | C27 | C35 | H34 | 126.1° | 116.7° |
| C27 | C26 | H27 | H28 | 120.9° | 120.0° |
| C26 | C27 | C35 | H34 | 5.3° | 2.7° |
| O9 | P1 | O6 | O8 | 113.1° | 120.0° |
| O9 | P1 | O6 | O7 | 114.4° | 120.0° |
| O9 | P1 | O8 | O7 | 128.4° | 120.0° |
| O9 | P1 | O7 | H48 | 126.1° | 59.9° |
| O6 | P1 | O8 | O7 | 121.1° | 120.0° |
| P1 | O6 | C25 | H25 | 78.1° | 60.0° |
| P1 | O6 | C25 | H26 | 41.9° | 60.0° |
| O6 | P1 | O7 | H48 | 126.6° | 60.0° |
| N10 | C32 | N9 | H32 | 180.0° | 179.9° |
| O8 | P1 | O7 | H48 | 0.0° | 180.0° |
| H2 | C6 | C7 | H5 | 0.1° | 0.1° |
| H3 | C11 | C10 | H7 | 109.2° | 22.4° |
| H3 | C11 | C12 | H8 | 92.9° | 3.0° |
| H4 | C11 | C10 | H7 | 12.6° | 144.5° |
| H4 | C11 | C12 | H8 | 28.9° | 119.0° |
| H5 | C7 | C8 | H6 | 0.3° | 0.1° |
| H8 | C12 | O2 | H44 | 146.6° | 59.9° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.1° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H20 | C21 | C22 | H22 | 70.2° | 180.0° |
| H21 | C21 | C22 | H22 | 170.6° | 60.0° |
| H22 | C22 | C23 | H23 | 2.6° | 55.1° |
| H22 | C22 | O3 | H45 | 62.9° | 180.0° |
| H23 | C23 | C24 | H24 | 160.9° | 180.0° |
| H23 | C23 | O4 | H46 | 61.8° | 180.0° |
| H24 | C24 | C25 | H25 | 128.5° | 175.0° |
| H24 | C24 | C25 | H26 | 8.4° | 65.0° |
| H24 | C24 | O5 | H47 | 62.9° | 180.0° |
| H27 | C26 | C27 | H29 | 54.6° | 65.5° |
| H28 | C26 | C27 | H29 | 175.2° | 174.5° |
| H29 | C27 | C35 | H34 | 116.8° | 123.9° |
| H30 | C28 | C34 | H33 | 174.1° | 160.3° |
| H33 | C34 | C35 | H34 | 35.6° | 21.3° |
| H33 | C34 | O14 | H42 | 57.0° | 62.3° |
| H34 | C35 | O15 | H43 | 56.6° | 61.2° |
