A1BI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| N1 | C2 | doub | 1.29Å | 1.29Å | Aromatic |
| N1 | N2 | sing | 1.26Å | 1.39Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| S1 | C3 | sing | 1.76Å | 1.73Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N3 | sing | 1.39Å | 1.38Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.35Å | 1.41Å | |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | O1 | doub | 1.22Å | 1.23Å | |
| C14 | N4 | sing | 1.41Å | 1.37Å | |
| C14 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| N4 | C13 | sing | 1.47Å | 1.46Å | |
| C9 | C40 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| O17 | C39 | doub | 1.21Å | 1.22Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | N5 | sing | 1.40Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C10 | C13 | sing | 1.53Å | 1.60Å | |
| C13 | C39 | sing | 1.50Å | 1.52Å | |
| C13 | C37 | sing | 1.50Å | 1.52Å | |
| C12 | O2 | doub | 1.21Å | 1.20Å | |
| C39 | N12 | sing | 1.35Å | 1.36Å | |
| N5 | C37 | sing | 1.35Å | 1.39Å | |
| N5 | C22 | sing | 1.46Å | 1.50Å | |
| C37 | N11 | doub | 1.31Å | 1.30Å | |
| N12 | C38 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| N11 | C38 | sing | 1.34Å | 1.33Å | |
| O3 | C23 | sing | 1.43Å | 1.42Å | |
| C38 | O16 | doub | 1.22Å | 1.21Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| O14 | C35 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | O4 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.55Å | 1.53Å | |
| C35 | C29 | sing | 1.55Å | 1.52Å | |
| O11 | P2 | doub | 1.48Å | 1.50Å | |
| C25 | O5 | sing | 1.43Å | 1.43Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C30 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C30 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| C36 | O15 | sing | 1.43Å | 1.42Å | |
| C36 | C28 | sing | 1.54Å | 1.53Å | |
| N7 | C31 | sing | 1.35Å | 1.39Å | Aromatic |
| O10 | P2 | sing | 1.61Å | 1.50Å | |
| P2 | O9 | sing | 1.61Å | 1.60Å | |
| P2 | O12 | sing | 1.61Å | 1.60Å | |
| N6 | C29 | sing | 1.47Å | 1.46Å | |
| N6 | C34 | sing | 1.37Å | 1.37Å | Aromatic |
| C29 | O13 | sing | 1.44Å | 1.40Å | |
| C31 | C34 | doub | 1.40Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | O6 | sing | 1.43Å | 1.45Å | |
| N8 | C32 | sing | 1.38Å | 1.33Å | |
| C34 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| C32 | N9 | doub | 1.33Å | 1.35Å | Aromatic |
| C28 | O13 | sing | 1.44Å | 1.44Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| O9 | P1 | sing | 1.61Å | 1.60Å | |
| O12 | C27 | sing | 1.43Å | 1.44Å | |
| O6 | P1 | sing | 1.61Å | 1.60Å | |
| N10 | C33 | doub | 1.32Å | 1.33Å | Aromatic |
| N9 | C33 | sing | 1.32Å | 1.34Å | Aromatic |
| P1 | O7 | doub | 1.48Å | 1.49Å | |
| P1 | O8 | sing | 1.61Å | 1.49Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.08Å | 1.08Å | |
| N12 | H38 | sing | 0.97Å | 1.00Å | |
| N4 | H39 | sing | 0.97Å | 1.00Å | |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| N8 | H41 | sing | 0.97Å | 1.00Å | |
| O10 | H42 | sing | 0.97Å | 0.95Å | |
| O14 | H43 | sing | 0.97Å | 0.95Å | |
| O15 | 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 | |
| O8 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 123.7° | 126.0° |
| C1 | C2 | S1 | 122.1° | 126.1° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | N1 | N2 | 112.4° | 117.9° |
| N1 | C2 | S1 | 114.2° | 107.9° |
| N1 | N2 | C3 | 112.2° | 117.6° |
| C2 | S1 | C3 | 86.6° | 88.9° |
| N2 | C3 | S1 | 113.8° | 107.7° |
| N2 | C3 | N3 | 123.5° | 126.2° |
| C17 | C16 | C15 | 119.7° | 120.0° |
| C17 | C16 | C18 | 120.9° | 119.9° |
| C16 | C17 | H13 | 109.5° | 109.4° |
| C16 | C17 | H14 | 109.5° | 109.5° |
| C16 | C17 | H15 | 109.4° | 109.5° |
| S1 | C3 | N3 | 122.7° | 126.1° |
| C6 | C7 | C8 | 119.3° | 120.1° |
| C7 | C6 | C5 | 120.8° | 119.9° |
| C7 | C6 | H1 | 119.6° | 120.1° |
| C6 | C7 | H4 | 120.3° | 119.9° |
| C7 | C8 | C9 | 121.6° | 120.3° |
| C8 | C7 | H4 | 120.3° | 119.9° |
| C7 | C8 | H5 | 119.2° | 119.8° |
| C3 | N3 | C4 | 139.2° | 120.0° |
| C3 | N3 | H8 | 110.4° | 120.0° |
| C6 | C5 | C4 | 125.6° | 120.2° |
| C6 | C5 | C40 | 118.8° | 119.7° |
| C5 | C6 | H1 | 119.6° | 120.0° |
| C15 | C16 | C18 | 119.4° | 120.1° |
| C16 | C15 | C14 | 120.8° | 119.8° |
| C16 | C15 | H12 | 119.6° | 120.1° |
| C16 | C18 | C19 | 120.1° | 119.8° |
| C16 | C18 | C20 | 119.6° | 120.4° |
| C15 | C14 | N4 | 119.3° | 120.9° |
| C15 | C14 | C21 | 120.6° | 120.3° |
| C14 | C15 | H12 | 119.6° | 120.1° |
| C8 | C9 | C40 | 118.1° | 120.2° |
| C8 | C9 | C10 | 121.0° | 119.9° |
| C9 | C8 | H5 | 119.2° | 119.9° |
| N3 | C4 | C5 | 121.8° | 120.0° |
| N3 | C4 | O1 | 118.3° | 120.0° |
| C4 | N3 | H8 | 110.4° | 120.0° |
| C4 | C5 | C40 | 115.5° | 120.1° |
| C5 | C4 | O1 | 119.9° | 120.0° |
| C5 | C40 | C9 | 121.3° | 119.8° |
| C5 | C40 | H36 | 119.3° | 120.1° |
| C19 | C18 | C20 | 120.3° | 119.8° |
| C18 | C19 | H16 | 109.5° | 109.4° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.4° |
| C18 | C20 | C21 | 121.5° | 119.9° |
| C18 | C20 | H19 | 119.2° | 120.0° |
| N4 | C14 | C21 | 120.1° | 118.8° |
| C14 | N4 | C13 | 124.9° | 116.5° |
| C14 | N4 | H39 | 105.5° | 121.7° |
| C14 | C21 | C20 | 118.1° | 119.5° |
| C14 | C21 | N5 | 119.1° | 120.1° |
| N4 | C13 | C10 | 107.7° | 108.7° |
| N4 | C13 | C39 | 111.3° | 110.9° |
| N4 | C13 | C37 | 112.9° | 108.9° |
| C13 | N4 | H39 | 105.5° | 121.8° |
| C40 | C9 | C10 | 120.8° | 119.9° |
| C9 | C40 | H36 | 119.4° | 120.1° |
| C9 | C10 | C11 | 110.2° | 109.5° |
| C9 | C10 | C13 | 113.8° | 109.5° |
| C9 | C10 | H6 | 105.8° | 109.5° |
| O17 | C39 | C13 | 123.5° | 119.7° |
| O17 | C39 | N12 | 120.5° | 119.7° |
| C20 | C21 | N5 | 122.8° | 120.4° |
| C21 | C20 | H19 | 119.2° | 120.1° |
| C21 | N5 | C37 | 121.4° | 120.1° |
| C21 | N5 | C22 | 121.5° | 119.9° |
| C10 | C11 | C12 | 116.8° | 109.5° |
| C11 | C10 | C13 | 115.4° | 109.4° |
| C10 | C11 | H2 | 107.6° | 109.4° |
| C10 | C11 | H3 | 107.6° | 109.5° |
| C11 | C10 | H6 | 105.6° | 109.5° |
| C11 | C12 | O2 | 126.6° | 120.0° |
| C12 | C11 | H2 | 107.6° | 109.4° |
| C12 | C11 | H3 | 107.6° | 109.5° |
| C11 | C12 | H7 | 116.7° | 120.0° |
| C10 | C13 | C39 | 106.3° | 108.7° |
| C10 | C13 | C37 | 112.7° | 108.6° |
| C13 | C10 | H6 | 105.1° | 109.4° |
| C39 | C13 | C37 | 105.7° | 111.0° |
| C13 | C39 | N12 | 116.1° | 120.6° |
| C13 | C37 | N5 | 119.5° | 119.2° |
| C13 | C37 | N11 | 122.1° | 121.0° |
| O2 | C12 | H7 | 116.7° | 120.0° |
| C39 | N12 | C38 | 121.8° | 120.7° |
| C39 | N12 | H38 | 119.1° | 119.6° |
| C37 | N5 | C22 | 117.2° | 120.0° |
| N5 | C37 | N11 | 118.4° | 119.8° |
| N5 | C22 | C23 | 117.3° | 109.5° |
| N5 | C22 | H20 | 107.5° | 109.5° |
| N5 | C22 | H21 | 107.5° | 109.5° |
| C37 | N11 | C38 | 118.7° | 122.3° |
| N12 | C38 | N11 | 122.3° | 121.6° |
| N12 | C38 | O16 | 117.9° | 119.3° |
| C38 | N12 | H38 | 119.1° | 119.7° |
| C22 | C23 | O3 | 113.1° | 109.5° |
| C22 | C23 | C24 | 112.7° | 109.5° |
| C23 | C22 | H20 | 107.5° | 109.4° |
| C23 | C22 | H21 | 107.5° | 109.4° |
| C22 | C23 | H22 | 106.2° | 109.5° |
| N11 | C38 | O16 | 119.8° | 119.0° |
| O3 | C23 | C24 | 110.8° | 109.5° |
| O3 | C23 | H22 | 107.5° | 109.4° |
| C23 | O3 | H45 | 109.5° | 114.0° |
| C23 | C24 | C25 | 114.4° | 109.5° |
| C23 | C24 | O4 | 111.6° | 109.5° |
| C24 | C23 | H22 | 106.1° | 109.5° |
| C23 | C24 | H23 | 106.9° | 109.5° |
| O14 | C35 | C36 | 114.0° | 110.9° |
| O14 | C35 | C29 | 116.3° | 110.9° |
| O14 | C35 | H33 | 109.7° | 110.8° |
| C35 | O14 | H43 | 109.5° | 114.0° |
| C25 | C24 | O4 | 108.5° | 109.4° |
| C24 | C25 | O5 | 110.8° | 109.4° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C25 | C24 | H23 | 106.9° | 109.4° |
| C24 | C25 | H24 | 107.7° | 109.4° |
| O4 | C24 | H23 | 108.3° | 109.5° |
| C24 | O4 | H46 | 109.5° | 114.0° |
| C36 | C35 | C29 | 100.0° | 102.1° |
| C35 | C36 | O15 | 110.5° | 110.5° |
| C35 | C36 | C28 | 103.3° | 104.2° |
| C36 | C35 | H33 | 108.0° | 110.9° |
| C35 | C36 | H34 | 110.7° | 110.5° |
| C35 | C29 | N6 | 115.6° | 110.7° |
| C35 | C29 | O13 | 102.2° | 103.5° |
| C35 | C29 | H30 | 109.6° | 110.6° |
| C29 | C35 | H33 | 108.2° | 110.9° |
| O11 | P2 | O10 | 122.3° | 109.5° |
| O11 | P2 | O9 | 106.1° | 109.5° |
| O11 | P2 | O12 | 108.7° | 109.5° |
| O5 | C25 | C26 | 110.0° | 109.5° |
| O5 | C25 | H24 | 109.1° | 109.4° |
| C25 | O5 | H47 | 109.5° | 114.0° |
| C25 | C26 | O6 | 111.5° | 109.5° |
| C26 | C25 | H24 | 108.0° | 109.5° |
| C25 | C26 | H25 | 109.0° | 109.4° |
| C25 | C26 | H26 | 109.0° | 109.5° |
| N7 | C30 | N6 | 113.3° | 110.0° |
| C30 | N7 | C31 | 104.2° | 109.5° |
| N7 | C30 | H31 | 123.4° | 125.0° |
| C30 | N6 | C29 | 127.3° | 126.3° |
| C30 | N6 | C34 | 106.2° | 107.4° |
| N6 | C30 | H31 | 123.4° | 125.0° |
| O15 | C36 | C28 | 108.8° | 110.5° |
| O15 | C36 | H34 | 112.5° | 110.6° |
| C36 | O15 | H44 | 109.5° | 114.0° |
| C36 | C28 | O13 | 105.5° | 107.3° |
| C36 | C28 | C27 | 116.6° | 109.9° |
| C36 | C28 | H29 | 107.9° | 110.0° |
| C28 | C36 | H34 | 110.7° | 110.5° |
| N7 | C31 | C34 | 110.6° | 107.1° |
| N7 | C31 | C32 | 132.0° | 134.7° |
| O10 | P2 | O9 | 108.5° | 109.4° |
| O10 | P2 | O12 | 108.5° | 109.5° |
| P2 | O10 | H42 | 109.5° | 114.1° |
| O9 | P2 | O12 | 100.6° | 109.4° |
| P2 | O9 | P1 | 125.6° | 134.0° |
| P2 | O12 | C27 | 116.9° | 122.9° |
| C29 | N6 | C34 | 126.5° | 126.3° |
| N6 | C29 | O13 | 107.3° | 110.6° |
| N6 | C29 | H30 | 110.5° | 110.6° |
| N6 | C34 | C31 | 105.7° | 106.0° |
| N6 | C34 | N10 | 127.5° | 134.9° |
| C29 | O13 | C28 | 106.6° | 107.0° |
| O13 | C29 | H30 | 111.3° | 110.6° |
| C34 | C31 | C32 | 117.3° | 118.2° |
| C31 | C34 | N10 | 126.8° | 119.1° |
| C31 | C32 | N8 | 123.7° | 120.7° |
| C31 | C32 | N9 | 117.2° | 118.5° |
| C26 | O6 | P1 | 118.0° | 123.0° |
| O6 | C26 | H25 | 108.9° | 109.5° |
| O6 | C26 | H26 | 108.9° | 109.5° |
| N8 | C32 | N9 | 119.1° | 120.8° |
| C32 | N8 | H40 | 109.5° | 120.0° |
| C32 | N8 | H41 | 109.5° | 120.0° |
| C34 | N10 | C33 | 110.6° | 120.6° |
| C32 | N9 | C33 | 118.7° | 121.2° |
| O13 | C28 | C27 | 109.2° | 109.9° |
| O13 | C28 | H29 | 109.1° | 109.9° |
| C28 | C27 | O12 | 107.2° | 109.5° |
| C28 | C27 | H27 | 110.1° | 109.4° |
| C28 | C27 | H28 | 110.0° | 109.5° |
| C27 | C28 | H29 | 108.3° | 109.9° |
| O9 | P1 | O6 | 100.3° | 109.5° |
| O9 | P1 | O7 | 107.9° | 109.4° |
| O9 | P1 | O8 | 111.6° | 109.5° |
| O12 | C27 | H27 | 110.0° | 109.5° |
| O12 | C27 | H28 | 110.0° | 109.5° |
| O6 | P1 | O7 | 111.6° | 109.5° |
| O6 | P1 | O8 | 103.4° | 109.5° |
| N10 | C33 | N9 | 129.3° | 122.5° |
| N10 | C33 | H32 | 115.3° | 118.8° |
| N9 | C33 | H32 | 115.3° | 118.8° |
| O7 | P1 | O8 | 120.2° | 109.5° |
| P1 | O8 | H48 | 109.5° | 114.0° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H13 | C17 | H15 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.4° | 109.5° |
| H40 | N8 | H41 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | S1 | 180.0° | 180.0° |
| C1 | C2 | N1 | N2 | 170.5° | 180.0° |
| C1 | C2 | S1 | C3 | 171.1° | 180.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C2 | N1 | N2 | C3 | 4.5° | 0.0° |
| N1 | C2 | S1 | C3 | 8.9° | 0.0° |
| N1 | C2 | C1 | H9 | 0.0° | 90.0° |
| N1 | C2 | C1 | H10 | 120.0° | 150.0° |
| N1 | C2 | C1 | H11 | 120.0° | 30.0° |
| N2 | N1 | C2 | S1 | 9.5° | 0.0° |
| N1 | N2 | C3 | S1 | 2.4° | 0.0° |
| N1 | N2 | C3 | N3 | 176.6° | 180.0° |
| C2 | S1 | C3 | N2 | 6.2° | 0.0° |
| C2 | S1 | C3 | N3 | 172.8° | 180.0° |
| S1 | C2 | C1 | H9 | 180.0° | 90.0° |
| S1 | C2 | C1 | H10 | 60.0° | 30.0° |
| S1 | C2 | C1 | H11 | 60.0° | 150.0° |
| N2 | C3 | S1 | N3 | 179.0° | 180.0° |
| N2 | C3 | N3 | C4 | 3.1° | 0.0° |
| N2 | C3 | N3 | H8 | 176.9° | 180.0° |
| C17 | C16 | C15 | C18 | 179.3° | 180.0° |
| C17 | C16 | C15 | C14 | 179.9° | 179.9° |
| C17 | C16 | C18 | C19 | 0.6° | 0.3° |
| C17 | C16 | C18 | C20 | 179.4° | 179.7° |
| C17 | C16 | C15 | H12 | 0.1° | 0.0° |
| C16 | C17 | H13 | H14 | 120.0° | 120.0° |
| C16 | C17 | H13 | H15 | 120.0° | 119.9° |
| C16 | C17 | H14 | H15 | 120.0° | 120.0° |
| S1 | C3 | N3 | C4 | 178.0° | 180.0° |
| S1 | C3 | N3 | H8 | 2.0° | 0.1° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.5° | 0.1° |
| C7 | C6 | C5 | C4 | 178.2° | 180.0° |
| C7 | C6 | C5 | C40 | 0.4° | 0.2° |
| C6 | C7 | C8 | H5 | 178.5° | 179.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | C40 | 1.8° | 0.2° |
| C7 | C8 | C9 | C10 | 179.5° | 180.0° |
| C8 | C7 | C6 | H1 | 179.6° | 179.9° |
| C3 | N3 | C4 | H8 | 180.0° | 180.0° |
| C3 | N3 | C4 | C5 | 23.7° | 179.7° |
| C3 | N3 | C4 | O1 | 156.2° | 0.0° |
| C6 | C5 | C4 | N3 | 26.7° | 0.5° |
| C6 | C5 | C4 | C40 | 178.6° | 179.7° |
| C6 | C5 | C4 | O1 | 153.3° | 179.7° |
| C6 | C5 | C40 | C9 | 0.1° | 0.5° |
| C5 | C6 | C7 | H4 | 179.6° | 179.9° |
| C6 | C5 | C40 | H36 | 179.9° | 179.7° |
| C16 | C15 | C14 | H12 | 180.0° | 180.0° |
| C15 | C16 | C18 | C19 | 179.9° | 179.7° |
| C15 | C16 | C18 | C20 | 1.3° | 0.3° |
| C16 | C15 | C14 | N4 | 179.1° | 179.3° |
| C16 | C15 | C14 | C21 | 0.2° | 0.4° |
| C15 | C16 | C17 | H13 | 89.7° | 90.0° |
| C15 | C16 | C17 | H14 | 150.3° | 150.0° |
| C15 | C16 | C17 | H15 | 30.4° | 29.9° |
| C18 | C16 | C15 | C14 | 0.6° | 0.1° |
| C16 | C18 | C19 | C20 | 178.8° | 179.9° |
| C16 | C18 | C20 | C21 | 1.7° | 0.0° |
| C18 | C16 | C15 | H12 | 179.4° | 180.0° |
| C18 | C16 | C17 | H13 | 89.6° | 90.0° |
| C18 | C16 | C17 | H14 | 30.4° | 30.0° |
| C18 | C16 | C17 | H15 | 150.3° | 150.1° |
| C16 | C18 | C19 | H16 | 90.6° | 90.0° |
| C16 | C18 | C19 | H17 | 149.4° | 150.0° |
| C16 | C18 | C19 | H18 | 29.4° | 29.9° |
| C16 | C18 | C20 | H19 | 178.3° | 180.0° |
| C15 | C14 | N4 | C21 | 178.9° | 179.8° |
| C15 | C14 | N4 | C13 | 177.4° | 151.1° |
| C15 | C14 | C21 | C20 | 0.5° | 0.7° |
| C15 | C14 | C21 | N5 | 180.0° | 178.3° |
| C15 | C14 | N4 | H39 | 60.5° | 28.8° |
| C8 | C9 | C40 | C5 | 1.0° | 0.5° |
| C8 | C9 | C40 | C10 | 177.7° | 179.7° |
| C8 | C9 | C10 | C11 | 94.4° | 59.9° |
| C8 | C9 | C10 | C13 | 37.1° | 60.0° |
| C9 | C8 | C7 | H4 | 178.5° | 179.9° |
| C8 | C9 | C10 | H6 | 151.9° | 180.0° |
| C8 | C9 | C40 | H36 | 179.0° | 179.7° |
| N3 | C4 | C5 | O1 | 180.0° | 179.7° |
| N3 | C4 | C5 | C40 | 154.7° | 179.7° |
| C4 | C5 | C40 | C9 | 178.7° | 179.7° |
| C4 | C5 | C6 | H1 | 1.8° | 0.0° |
| C5 | C4 | N3 | H8 | 156.3° | 0.2° |
| C4 | C5 | C40 | H36 | 1.4° | 0.1° |
| C40 | C5 | C4 | O1 | 25.3° | 0.0° |
| C5 | C40 | C9 | H36 | 180.0° | 179.8° |
| C5 | C40 | C9 | C10 | 178.7° | 179.7° |
| C40 | C5 | C6 | H1 | 179.6° | 179.8° |
| C19 | C18 | C20 | C21 | 179.5° | 179.9° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 119.9° |
| C18 | C19 | H17 | H18 | 120.0° | 120.0° |
| C19 | C18 | C20 | H19 | 0.5° | 0.1° |
| C18 | C20 | C21 | C14 | 1.3° | 0.5° |
| C18 | C20 | C21 | H19 | 180.0° | 180.0° |
| C18 | C20 | C21 | N5 | 179.2° | 178.5° |
| C20 | C18 | C19 | H16 | 90.6° | 90.1° |
| C20 | C18 | C19 | H17 | 29.4° | 29.9° |
| C20 | C18 | C19 | H18 | 149.4° | 150.0° |
| O1 | C4 | N3 | H8 | 23.8° | 180.0° |
| C14 | N4 | C13 | H39 | 122.1° | 179.9° |
| N4 | C14 | C21 | C20 | 179.4° | 179.1° |
| N4 | C14 | C21 | N5 | 1.1° | 1.9° |
| C14 | N4 | C13 | C10 | 114.1° | 72.0° |
| C14 | N4 | C13 | C39 | 129.7° | 168.6° |
| C14 | N4 | C13 | C37 | 11.0° | 46.2° |
| N4 | C14 | C15 | H12 | 0.9° | 0.7° |
| C21 | C14 | N4 | C13 | 3.6° | 28.6° |
| C14 | C21 | C20 | N5 | 179.5° | 179.0° |
| C14 | C21 | N5 | C37 | 7.6° | 11.1° |
| C14 | C21 | N5 | C22 | 171.5° | 168.8° |
| C21 | C14 | C15 | H12 | 179.8° | 179.6° |
| C14 | C21 | C20 | H19 | 178.7° | 179.5° |
| C21 | C14 | N4 | H39 | 118.4° | 151.5° |
| N4 | C13 | C10 | C9 | 65.3° | 171.8° |
| N4 | C13 | C39 | O17 | 19.7° | 44.6° |
| N4 | C13 | C10 | C11 | 63.5° | 68.2° |
| N4 | C13 | C10 | C39 | 119.4° | 120.8° |
| N4 | C13 | C10 | C37 | 125.2° | 118.4° |
| N4 | C13 | C39 | C37 | 122.9° | 121.2° |
| N4 | C13 | C39 | N12 | 159.7° | 135.4° |
| N4 | C13 | C37 | N5 | 16.7° | 37.7° |
| N4 | C13 | C37 | N11 | 162.3° | 139.0° |
| N4 | C13 | C10 | H6 | 179.4° | 51.8° |
| C40 | C9 | C10 | C11 | 83.3° | 120.3° |
| C40 | C9 | C10 | C13 | 145.3° | 119.7° |
| C40 | C9 | C8 | H5 | 178.2° | 179.8° |
| C40 | C9 | C10 | H6 | 30.4° | 0.2° |
| C9 | C10 | C11 | C13 | 130.5° | 120.0° |
| C9 | C10 | C11 | H6 | 113.8° | 120.1° |
| C9 | C10 | C11 | C12 | 64.8° | 173.2° |
| C9 | C10 | C13 | H6 | 115.3° | 120.0° |
| C9 | C10 | C13 | C39 | 54.1° | 67.3° |
| C9 | C10 | C13 | C37 | 169.5° | 53.5° |
| C9 | C10 | C11 | H2 | 56.2° | 53.3° |
| C9 | C10 | C11 | H3 | 174.1° | 66.8° |
| C10 | C9 | C8 | H5 | 0.6° | 0.1° |
| C10 | C9 | C40 | H36 | 1.4° | 0.1° |
| O17 | C39 | C13 | C10 | 97.3° | 74.9° |
| O17 | C39 | C13 | N12 | 179.4° | 180.0° |
| O17 | C39 | C13 | C37 | 142.6° | 165.8° |
| O17 | C39 | N12 | C38 | 160.9° | 178.8° |
| O17 | C39 | N12 | H38 | 19.1° | 3.0° |
| C20 | C21 | N5 | C37 | 172.9° | 169.9° |
| C20 | C21 | N5 | C22 | 8.0° | 10.2° |
| C21 | N5 | C37 | C13 | 15.8° | 10.4° |
| C21 | N5 | C37 | C22 | 179.1° | 180.0° |
| C21 | N5 | C37 | N11 | 163.2° | 166.4° |
| C21 | N5 | C22 | C23 | 52.3° | 90.0° |
| N5 | C21 | C20 | H19 | 0.8° | 1.5° |
| C21 | N5 | C22 | H20 | 173.4° | 30.0° |
| C21 | N5 | C22 | H21 | 68.8° | 150.0° |
| C10 | C11 | C12 | H2 | 121.1° | 119.9° |
| C10 | C11 | C12 | H3 | 121.0° | 120.1° |
| C11 | C10 | C13 | H6 | 115.9° | 120.0° |
| C11 | C10 | C13 | C39 | 177.1° | 52.7° |
| C11 | C10 | C13 | C37 | 61.7° | 173.5° |
| C10 | C11 | C12 | O2 | 84.1° | 124.8° |
| C10 | C11 | H2 | H3 | 116.7° | 120.1° |
| C10 | C11 | C12 | H7 | 95.9° | 55.3° |
| C12 | C11 | C10 | C13 | 164.6° | 66.8° |
| C11 | C12 | O2 | H7 | 180.0° | 179.9° |
| C12 | C11 | H2 | H3 | 116.6° | 120.0° |
| C12 | C11 | C10 | H6 | 49.0° | 53.1° |
| C10 | C13 | C39 | C37 | 120.0° | 119.4° |
| C10 | C13 | C39 | N12 | 83.3° | 105.2° |
| C10 | C13 | C37 | N5 | 105.6° | 80.5° |
| C10 | C13 | C37 | N11 | 75.4° | 102.7° |
| C13 | C10 | C11 | H2 | 74.3° | 173.3° |
| C13 | C10 | C11 | H3 | 43.6° | 53.2° |
| C10 | C13 | N4 | H39 | 123.9° | 107.9° |
| C39 | C13 | C37 | N5 | 138.7° | 160.1° |
| C39 | C13 | C37 | N11 | 40.3° | 16.7° |
| C13 | C39 | N12 | C38 | 18.5° | 1.1° |
| C39 | C13 | C10 | H6 | 61.2° | 172.6° |
| C13 | C39 | N12 | H38 | 161.5° | 177.1° |
| C39 | C13 | N4 | H39 | 7.7° | 11.5° |
| C37 | C13 | C39 | N12 | 36.7° | 14.2° |
| C13 | C37 | N5 | N11 | 179.1° | 176.8° |
| C13 | C37 | N5 | C22 | 163.3° | 169.6° |
| C13 | C37 | N11 | C38 | 21.3° | 5.9° |
| C37 | C13 | C10 | H6 | 54.2° | 66.6° |
| C37 | C13 | N4 | H39 | 111.0° | 133.9° |
| O2 | C12 | C11 | H2 | 154.8° | 4.9° |
| O2 | C12 | C11 | H3 | 36.9° | 115.1° |
| C39 | N12 | C38 | H38 | 180.0° | 178.2° |
| C39 | N12 | C38 | N11 | 5.1° | 11.9° |
| C39 | N12 | C38 | O16 | 177.4° | 170.1° |
| C37 | N5 | C22 | C23 | 128.6° | 90.0° |
| N5 | C37 | N11 | C38 | 157.8° | 170.9° |
| C37 | N5 | C22 | H20 | 7.4° | 150.0° |
| C37 | N5 | C22 | H21 | 110.3° | 30.0° |
| C22 | N5 | C37 | N11 | 17.6° | 13.6° |
| N5 | C22 | C23 | H20 | 121.1° | 120.1° |
| N5 | C22 | C23 | H21 | 121.1° | 120.0° |
| N5 | C22 | C23 | O3 | 45.7° | 64.9° |
| N5 | C22 | C23 | C24 | 172.3° | 175.0° |
| N5 | C22 | H20 | H21 | 116.5° | 120.0° |
| N5 | C22 | C23 | H22 | 72.0° | 55.0° |
| C37 | N11 | C38 | N12 | 4.2° | 9.5° |
| C37 | N11 | C38 | O16 | 178.3° | 172.5° |
| N12 | C38 | N11 | O16 | 177.5° | 178.0° |
| C22 | C23 | O3 | C24 | 127.6° | 120.1° |
| C22 | C23 | O3 | H22 | 116.9° | 119.9° |
| C22 | C23 | C24 | H22 | 115.8° | 120.0° |
| C22 | C23 | C24 | C25 | 161.7° | 175.0° |
| C22 | C23 | C24 | O4 | 38.0° | 55.0° |
| C23 | C22 | H20 | H21 | 116.4° | 119.9° |
| C22 | C23 | C24 | H23 | 80.2° | 65.0° |
| C22 | C23 | O3 | H45 | 180.0° | 60.1° |
| N11 | C38 | N12 | H38 | 174.9° | 169.9° |
| O3 | C23 | C24 | H22 | 116.4° | 119.9° |
| O3 | C23 | C24 | C25 | 33.8° | 55.0° |
| O3 | C23 | C24 | O4 | 89.8° | 65.0° |
| O3 | C23 | C22 | H20 | 75.5° | 175.0° |
| O3 | C23 | C22 | H21 | 166.8° | 55.1° |
| O3 | C23 | C24 | H23 | 152.0° | 175.0° |
| O16 | C38 | N12 | H38 | 2.6° | 8.1° |
| C23 | C24 | C25 | O4 | 125.3° | 120.0° |
| C23 | C24 | C25 | H23 | 118.2° | 120.0° |
| C23 | C24 | O4 | H23 | 117.3° | 120.0° |
| C23 | C24 | C25 | O5 | 61.2° | 55.0° |
| C23 | C24 | C25 | C26 | 176.1° | 175.0° |
| C24 | C23 | C22 | H20 | 51.1° | 55.0° |
| C24 | C23 | C22 | H21 | 66.6° | 65.0° |
| C23 | C24 | C25 | H24 | 58.0° | 64.9° |
| C24 | C23 | O3 | H45 | 52.4° | 60.0° |
| C23 | C24 | O4 | H46 | 180.0° | 60.0° |
| O14 | C35 | C36 | C29 | 124.8° | 118.2° |
| O14 | C35 | C36 | H33 | 122.2° | 123.6° |
| O14 | C35 | C29 | H33 | 123.9° | 123.6° |
| O14 | C35 | C36 | O15 | 38.2° | 20.4° |
| O14 | C35 | C36 | C28 | 154.4° | 139.1° |
| O14 | C35 | C29 | N6 | 74.8° | 86.3° |
| O14 | C35 | C29 | O13 | 169.0° | 155.2° |
| O14 | C35 | C29 | H30 | 50.8° | 36.7° |
| O14 | C35 | C36 | H34 | 87.1° | 102.2° |
| C25 | C24 | O4 | H23 | 115.7° | 119.9° |
| C24 | C25 | O5 | C26 | 123.3° | 120.1° |
| C24 | C25 | O5 | H24 | 118.4° | 119.9° |
| C24 | C25 | C26 | H24 | 118.0° | 120.0° |
| C24 | C25 | C26 | O6 | 171.9° | 175.0° |
| C25 | C24 | C23 | H22 | 82.6° | 65.0° |
| C24 | C25 | C26 | H25 | 51.6° | 65.0° |
| C24 | C25 | C26 | H26 | 67.8° | 55.0° |
| C25 | C24 | O4 | H46 | 53.1° | 60.1° |
| C24 | C25 | O5 | H47 | 180.0° | 60.1° |
| O4 | C24 | C25 | O5 | 64.0° | 65.1° |
| O4 | C24 | C25 | C26 | 58.6° | 55.0° |
| O4 | C24 | C23 | H22 | 153.8° | 175.1° |
| O4 | C24 | C25 | H24 | 176.7° | 175.0° |
| C36 | C35 | C29 | H33 | 112.9° | 118.2° |
| C35 | C36 | O15 | C28 | 112.8° | 114.8° |
| C35 | C36 | O15 | H34 | 124.2° | 122.6° |
| C35 | C36 | C28 | H34 | 118.5° | 118.6° |
| C36 | C35 | C29 | N6 | 161.9° | 155.6° |
| C36 | C35 | C29 | O13 | 45.7° | 37.0° |
| C35 | C36 | C28 | O13 | 4.6° | 2.0° |
| C35 | C36 | C28 | C27 | 116.8° | 121.4° |
| C35 | C36 | C28 | H29 | 121.1° | 117.4° |
| C36 | C35 | C29 | H30 | 72.4° | 81.5° |
| C36 | C35 | O14 | H43 | 180.0° | 61.5° |
| C35 | C36 | O15 | H44 | 180.0° | 61.4° |
| C35 | C29 | N6 | C30 | 40.9° | 90.6° |
| C29 | C35 | C36 | O15 | 86.7° | 97.8° |
| C29 | C35 | C36 | C28 | 29.6° | 20.9° |
| C35 | C29 | N6 | O13 | 113.3° | 114.1° |
| C35 | C29 | N6 | H30 | 125.2° | 123.0° |
| C35 | C29 | N6 | C34 | 140.6° | 89.5° |
| C35 | C29 | O13 | H30 | 116.9° | 118.5° |
| C35 | C29 | O13 | C28 | 45.0° | 40.1° |
| C29 | C35 | C36 | H34 | 148.1° | 139.6° |
| C29 | C35 | O14 | H43 | 64.4° | 174.1° |
| O11 | P2 | O10 | O9 | 123.8° | 120.0° |
| O11 | P2 | O10 | O12 | 127.7° | 120.1° |
| O11 | P2 | O9 | O12 | 113.2° | 120.0° |
| O11 | P2 | O9 | P1 | 163.2° | 40.0° |
| O11 | P2 | O12 | C27 | 28.9° | 55.0° |
| O11 | P2 | O10 | H42 | 0.0° | 180.0° |
| O5 | C25 | C26 | H24 | 118.9° | 120.0° |
| O5 | C25 | C26 | O6 | 48.9° | 65.0° |
| O5 | C25 | C24 | H23 | 179.4° | 175.0° |
| O5 | C25 | C26 | H25 | 71.5° | 55.0° |
| O5 | C25 | C26 | H26 | 169.2° | 175.0° |
| C25 | C26 | O6 | H25 | 120.3° | 120.0° |
| C25 | C26 | O6 | H26 | 120.3° | 120.1° |
| C25 | C26 | O6 | P1 | 153.8° | 179.9° |
| C26 | C25 | C24 | H23 | 58.0° | 65.0° |
| C25 | C26 | H25 | H26 | 119.1° | 120.0° |
| C26 | C25 | O5 | H47 | 56.6° | 60.0° |
| N7 | C30 | N6 | H31 | 180.0° | 179.8° |
| N7 | C30 | N6 | C29 | 178.7° | 180.0° |
| N7 | C30 | N6 | C34 | 0.1° | 0.1° |
| C30 | N7 | C31 | C34 | 0.5° | 0.0° |
| C30 | N7 | C31 | C32 | 179.9° | 180.0° |
| N6 | C30 | N7 | C31 | 0.3° | 0.0° |
| C30 | N6 | C29 | C34 | 178.5° | 180.0° |
| C30 | N6 | C29 | O13 | 72.4° | 23.5° |
| C30 | N6 | C34 | C31 | 0.2° | 0.0° |
| C30 | N6 | C34 | N10 | 180.0° | 180.0° |
| C30 | N6 | C29 | H30 | 166.1° | 146.4° |
| O15 | C36 | C28 | H34 | 124.1° | 122.7° |
| O15 | C36 | C28 | O13 | 112.8° | 120.7° |
| O15 | C36 | C28 | C27 | 125.8° | 119.9° |
| O15 | C36 | C28 | H29 | 3.7° | 1.2° |
| O15 | C36 | C35 | H33 | 160.3° | 144.0° |
| C36 | C28 | O13 | C29 | 25.2° | 26.5° |
| C36 | C28 | O13 | C27 | 126.1° | 119.4° |
| C36 | C28 | O13 | H29 | 115.7° | 119.6° |
| C36 | C28 | C27 | H29 | 121.9° | 121.2° |
| C36 | C28 | C27 | O12 | 60.6° | 175.7° |
| C36 | C28 | C27 | H27 | 59.0° | 55.7° |
| C36 | C28 | C27 | H28 | 179.7° | 64.2° |
| C28 | C36 | C35 | H33 | 83.4° | 97.3° |
| C28 | C36 | O15 | H44 | 67.2° | 176.2° |
| N7 | C31 | C34 | N6 | 0.4° | 0.0° |
| N7 | C31 | C34 | C32 | 179.5° | 180.0° |
| N7 | C31 | C32 | N8 | 1.0° | 0.0° |
| N7 | C31 | C34 | N10 | 179.8° | 179.9° |
| N7 | C31 | C32 | N9 | 178.8° | 180.0° |
| C31 | N7 | C30 | H31 | 179.7° | 179.8° |
| O10 | P2 | O9 | O12 | 113.8° | 120.0° |
| O10 | P2 | O9 | P1 | 30.2° | 80.0° |
| O10 | P2 | O12 | C27 | 164.0° | 65.1° |
| O9 | P2 | O12 | C27 | 82.3° | 175.0° |
| P2 | O9 | P1 | O6 | 61.9° | 160.0° |
| P2 | O9 | P1 | O7 | 178.8° | 40.0° |
| P2 | O9 | P1 | O8 | 47.1° | 80.0° |
| O9 | P2 | O10 | H42 | 123.8° | 60.0° |
| P2 | O12 | C27 | C28 | 127.2° | 180.0° |
| O12 | P2 | O9 | P1 | 83.6° | 160.0° |
| P2 | O12 | C27 | H27 | 7.5° | 60.0° |
| P2 | O12 | C27 | H28 | 113.2° | 60.0° |
| O12 | P2 | O10 | H42 | 127.7° | 59.9° |
| N6 | C29 | O13 | H30 | 121.0° | 122.9° |
| C29 | N6 | C34 | C31 | 179.0° | 180.0° |
| C29 | N6 | C34 | N10 | 1.2° | 0.1° |
| N6 | C29 | O13 | C28 | 167.1° | 158.7° |
| C29 | N6 | C30 | H31 | 1.3° | 0.2° |
| N6 | C29 | C35 | H33 | 49.0° | 37.4° |
| C34 | N6 | C29 | O13 | 106.1° | 156.4° |
| N6 | C34 | C31 | N10 | 179.8° | 179.9° |
| N6 | C34 | C31 | C32 | 179.9° | 180.0° |
| N6 | C34 | N10 | C33 | 179.5° | 180.0° |
| C34 | N6 | C29 | H30 | 15.4° | 33.5° |
| C34 | N6 | C30 | H31 | 179.9° | 179.8° |
| C29 | O13 | C28 | C27 | 151.3° | 145.9° |
| C29 | O13 | C28 | H29 | 90.5° | 93.0° |
| O13 | C29 | C35 | H33 | 67.2° | 81.2° |
| C34 | C31 | C32 | N8 | 179.6° | 180.0° |
| C34 | C31 | C32 | N9 | 0.6° | 0.0° |
| C31 | C34 | N10 | C33 | 0.8° | 0.0° |
| C31 | C32 | N8 | N9 | 179.9° | 180.0° |
| C32 | C31 | C34 | N10 | 0.3° | 0.0° |
| C31 | C32 | N9 | C33 | 0.8° | 0.1° |
| C31 | C32 | N8 | H40 | 179.8° | 0.0° |
| C31 | C32 | N8 | H41 | 59.9° | 180.0° |
| C26 | O6 | P1 | O9 | 88.2° | 175.0° |
| C26 | O6 | P1 | O7 | 26.0° | 55.0° |
| C26 | O6 | P1 | O8 | 156.5° | 65.0° |
| O6 | C26 | C25 | H24 | 70.1° | 55.0° |
| O6 | C26 | H25 | H26 | 119.0° | 120.0° |
| N8 | C32 | N9 | C33 | 179.3° | 180.0° |
| C32 | N8 | H40 | H41 | 120.0° | 180.0° |
| C34 | N10 | C33 | N9 | 0.5° | 0.0° |
| C34 | N10 | C33 | H32 | 179.5° | 180.0° |
| C32 | N9 | C33 | N10 | 0.3° | 0.0° |
| C32 | N9 | C33 | H32 | 179.8° | 180.0° |
| N9 | C32 | N8 | H40 | 0.0° | 180.0° |
| N9 | C32 | N8 | H41 | 120.0° | 0.0° |
| O13 | C28 | C27 | H29 | 118.7° | 121.0° |
| O13 | C28 | C27 | O12 | 179.9° | 66.5° |
| O13 | C28 | C27 | H27 | 60.4° | 173.5° |
| O13 | C28 | C27 | H28 | 60.3° | 53.6° |
| C28 | O13 | C29 | H30 | 71.9° | 78.4° |
| O13 | C28 | C36 | H34 | 123.1° | 116.6° |
| C28 | C27 | O12 | H27 | 119.7° | 120.0° |
| C28 | C27 | O12 | H28 | 119.6° | 120.0° |
| C28 | C27 | H27 | H28 | 121.0° | 120.0° |
| C27 | C28 | C36 | H34 | 1.7° | 2.8° |
| O9 | P1 | O6 | O7 | 114.1° | 120.0° |
| O9 | P1 | O6 | O8 | 115.3° | 120.0° |
| O9 | P1 | O7 | O8 | 129.4° | 120.0° |
| O9 | P1 | O8 | H48 | 127.8° | 60.0° |
| O12 | C27 | H27 | H28 | 121.0° | 120.1° |
| O12 | C27 | C28 | H29 | 61.2° | 54.5° |
| O6 | P1 | O7 | O8 | 121.3° | 120.0° |
| P1 | O6 | C26 | H25 | 85.8° | 60.0° |
| P1 | O6 | C26 | H26 | 33.5° | 60.0° |
| O6 | P1 | O8 | H48 | 125.2° | 60.1° |
| N10 | C33 | N9 | H32 | 180.0° | 180.0° |
| O7 | P1 | O8 | H48 | 0.0° | 179.9° |
| H1 | C6 | C7 | H4 | 0.3° | 0.0° |
| H2 | C11 | C10 | H6 | 170.0° | 66.8° |
| H2 | C11 | C12 | H7 | 25.2° | 175.2° |
| H3 | C11 | C10 | H6 | 72.1° | 173.1° |
| H3 | C11 | C12 | H7 | 143.1° | 64.8° |
| H4 | C7 | C8 | H5 | 1.5° | 0.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H13 | C17 | H14 | H15 | 120.0° | 120.0° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H20 | C22 | C23 | H22 | 166.8° | 65.1° |
| H21 | C22 | C23 | H22 | 49.1° | 175.0° |
| H22 | C23 | C24 | H23 | 35.6° | 55.0° |
| H22 | C23 | O3 | H45 | 63.1° | 180.0° |
| H23 | C24 | C25 | H24 | 60.2° | 55.1° |
| H23 | C24 | O4 | H46 | 62.6° | 180.0° |
| H24 | C25 | C26 | H25 | 169.6° | 175.0° |
| H24 | C25 | C26 | H26 | 50.2° | 65.0° |
| H24 | C25 | O5 | H47 | 61.6° | 180.0° |
| H27 | C27 | C28 | H29 | 179.1° | 65.5° |
| H28 | C27 | C28 | H29 | 58.5° | 174.6° |
| H29 | C28 | C36 | H34 | 120.4° | 123.9° |
| H30 | C29 | C35 | H33 | 174.7° | 160.3° |
| H33 | C35 | C36 | H34 | 35.1° | 21.4° |
| H33 | C35 | O14 | H43 | 58.7° | 62.2° |
| H34 | C36 | O15 | H44 | 55.8° | 61.2° |
