A1IZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C20 | sing | 1.33Å | 1.36Å | Aromatic |
| C21 | N7 | sing | 1.32Å | 1.33Å | Aromatic |
| N5 | C20 | sing | 1.38Å | 1.33Å | |
| C20 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| N7 | C22 | doub | 1.33Å | 1.34Å | Aromatic |
| C19 | C22 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | N4 | sing | 1.35Å | 1.38Å | Aromatic |
| C22 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O13 | C23 | sing | 1.43Å | 1.41Å | |
| N4 | C18 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C17 | sing | 1.46Å | 1.47Å | |
| N3 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| O15 | P3 | doub | 1.48Å | 1.50Å | |
| C23 | C17 | sing | 1.55Å | 1.53Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C17 | O12 | sing | 1.44Å | 1.44Å | |
| P3 | O14 | sing | 1.61Å | 1.64Å | |
| P3 | O16 | sing | 1.61Å | 1.52Å | |
| P3 | O17 | sing | 1.61Å | 1.53Å | |
| O14 | C24 | sing | 1.43Å | 1.44Å | |
| C24 | C16 | sing | 1.54Å | 1.53Å | |
| O12 | C16 | sing | 1.44Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | O11 | sing | 1.43Å | 1.45Å | |
| O11 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O10 | doub | 1.48Å | 1.49Å | |
| P2 | O8 | sing | 1.61Å | 1.61Å | |
| P2 | O9 | sing | 1.61Å | 1.49Å | |
| O8 | P1 | sing | 1.61Å | 1.61Å | |
| O7 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O6 | sing | 1.61Å | 1.49Å | |
| P1 | O5 | sing | 1.61Å | 1.61Å | |
| O5 | C14 | sing | 1.43Å | 1.45Å | |
| O4 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| C9 | O3 | doub | 1.21Å | 1.25Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| O2 | C6 | doub | 1.21Å | 1.26Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C5 | sing | 1.47Å | 1.47Å | |
| O18 | C30 | doub | 1.21Å | 1.23Å | |
| C31 | C30 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.48Å | 1.49Å | |
| C4 | S1 | sing | 1.81Å | 1.83Å | |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C37 | doub | 1.40Å | 1.40Å | Aromatic |
| S1 | C3 | sing | 1.71Å | 1.82Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C2 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.51Å | 1.55Å | |
| C3 | O1 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| O6 | H45 | sing | 0.97Å | 0.95Å | |
| O9 | H46 | sing | 0.97Å | 0.95Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.08Å | 1.08Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| O13 | H34 | sing | 0.97Å | 0.95Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| O16 | H47 | sing | 0.97Å | 0.95Å | |
| O17 | H48 | sing | 0.97Å | 0.95Å | |
| C26 | H36 | sing | 1.08Å | 1.08Å | |
| C27 | H37 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C32 | H39 | sing | 1.08Å | 1.08Å | |
| C33 | H40 | sing | 1.08Å | 1.08Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å | |
| C35 | H42 | sing | 1.08Å | 1.08Å | |
| C36 | H43 | sing | 1.08Å | 1.08Å | |
| C37 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | N6 | C20 | 118.8° | 121.2° |
| N6 | C21 | N7 | 128.9° | 122.5° |
| N6 | C21 | H32 | 115.5° | 118.8° |
| N6 | C20 | N5 | 118.2° | 120.8° |
| N6 | C20 | C19 | 117.3° | 118.4° |
| C21 | N7 | C22 | 111.2° | 120.6° |
| N7 | C21 | H32 | 115.6° | 118.8° |
| N5 | C20 | C19 | 124.4° | 120.8° |
| C20 | N5 | H30 | 109.5° | 119.9° |
| C20 | N5 | H31 | 109.5° | 120.0° |
| C20 | C19 | C22 | 117.2° | 118.2° |
| C20 | C19 | N4 | 132.4° | 134.7° |
| N7 | C22 | C19 | 126.4° | 119.1° |
| N7 | C22 | N3 | 127.4° | 134.9° |
| C22 | C19 | N4 | 110.3° | 107.1° |
| C19 | C22 | N3 | 106.1° | 106.0° |
| C19 | N4 | C18 | 104.3° | 109.4° |
| C22 | N3 | C17 | 125.3° | 126.3° |
| C22 | N3 | C18 | 105.7° | 107.4° |
| O13 | C23 | C17 | 111.9° | 110.5° |
| O13 | C23 | C24 | 113.6° | 110.6° |
| O13 | C23 | H33 | 111.6° | 110.6° |
| C23 | O13 | H34 | 109.5° | 114.0° |
| N4 | C18 | N3 | 113.5° | 110.0° |
| N4 | C18 | H29 | 123.3° | 125.0° |
| C17 | N3 | C18 | 128.7° | 126.3° |
| N3 | C17 | C23 | 116.4° | 110.4° |
| N3 | C17 | O12 | 107.6° | 110.4° |
| N3 | C17 | H28 | 108.3° | 110.3° |
| N3 | C18 | H29 | 123.2° | 125.0° |
| O15 | P3 | O14 | 109.6° | 109.5° |
| O15 | P3 | O16 | 116.0° | 109.5° |
| O15 | P3 | O17 | 102.1° | 109.5° |
| C17 | C23 | C24 | 99.7° | 104.0° |
| C23 | C17 | O12 | 108.2° | 104.9° |
| C23 | C17 | H28 | 107.5° | 110.4° |
| C17 | C23 | H33 | 109.7° | 110.5° |
| C23 | C24 | O14 | 110.6° | 110.5° |
| C23 | C24 | C16 | 96.6° | 104.0° |
| C24 | C23 | H33 | 109.8° | 110.4° |
| C23 | C24 | H35 | 111.0° | 110.5° |
| C17 | O12 | C16 | 104.1° | 105.3° |
| O12 | C17 | H28 | 108.7° | 110.4° |
| O14 | P3 | O16 | 100.8° | 109.5° |
| O14 | P3 | O17 | 115.0° | 109.5° |
| P3 | O14 | C24 | 130.0° | 123.0° |
| O16 | P3 | O17 | 113.8° | 109.5° |
| P3 | O16 | H47 | 109.5° | 114.0° |
| P3 | O17 | H48 | 109.5° | 114.0° |
| O14 | C24 | C16 | 114.4° | 110.5° |
| O14 | C24 | H35 | 112.3° | 110.5° |
| C24 | C16 | O12 | 101.8° | 104.9° |
| C24 | C16 | C15 | 121.6° | 110.4° |
| C24 | C16 | H27 | 106.7° | 110.4° |
| C16 | C24 | H35 | 110.8° | 110.7° |
| O12 | C16 | C15 | 111.2° | 110.4° |
| O12 | C16 | H27 | 107.9° | 110.4° |
| C16 | C15 | O11 | 107.0° | 109.5° |
| C16 | C15 | H26 | 110.1° | 109.5° |
| C16 | C15 | H25 | 110.1° | 109.4° |
| C15 | C16 | H27 | 107.0° | 110.3° |
| C15 | O11 | P2 | 120.0° | 123.0° |
| O11 | C15 | H26 | 110.1° | 109.5° |
| O11 | C15 | H25 | 110.1° | 109.5° |
| O11 | P2 | O10 | 107.2° | 109.5° |
| O11 | P2 | O8 | 97.4° | 109.5° |
| O11 | P2 | O9 | 110.3° | 109.5° |
| O10 | P2 | O8 | 111.9° | 109.4° |
| O10 | P2 | O9 | 112.6° | 109.4° |
| O8 | P2 | O9 | 116.0° | 109.5° |
| P2 | O8 | P1 | 131.3° | 134.0° |
| P2 | O9 | H46 | 109.5° | 114.0° |
| O8 | P1 | O7 | 110.5° | 109.4° |
| O8 | P1 | O6 | 104.4° | 109.5° |
| O8 | P1 | O5 | 95.4° | 109.5° |
| O7 | P1 | O6 | 126.1° | 109.5° |
| O7 | P1 | O5 | 101.1° | 109.5° |
| O6 | P1 | O5 | 115.1° | 109.5° |
| P1 | O6 | H45 | 109.5° | 114.0° |
| P1 | O5 | C14 | 126.3° | 123.0° |
| O5 | C14 | C11 | 110.8° | 109.5° |
| O5 | C14 | H24 | 109.1° | 109.5° |
| O5 | C14 | H23 | 109.2° | 109.5° |
| O4 | C10 | C9 | 111.8° | 109.5° |
| O4 | C10 | C11 | 108.6° | 109.5° |
| O4 | C10 | H15 | 108.7° | 109.5° |
| C10 | O4 | H16 | 109.5° | 114.0° |
| C9 | C10 | C11 | 113.0° | 109.5° |
| C10 | C9 | N2 | 115.9° | 120.0° |
| C10 | C9 | O3 | 119.9° | 120.0° |
| C9 | C10 | H15 | 107.4° | 109.4° |
| C10 | C11 | C14 | 110.6° | 109.4° |
| C10 | C11 | C13 | 108.5° | 109.5° |
| C10 | C11 | C12 | 113.3° | 109.5° |
| C11 | C10 | H15 | 107.0° | 109.4° |
| C14 | C11 | C13 | 112.1° | 109.5° |
| C14 | C11 | C12 | 101.7° | 109.5° |
| C11 | C14 | H24 | 109.1° | 109.4° |
| C11 | C14 | H23 | 109.1° | 109.5° |
| C9 | N2 | C8 | 124.1° | 120.0° |
| N2 | C9 | O3 | 124.2° | 120.0° |
| C9 | N2 | H14 | 118.0° | 120.0° |
| N2 | C8 | C7 | 113.7° | 109.5° |
| N2 | C8 | H13 | 108.4° | 109.5° |
| N2 | C8 | H12 | 108.4° | 109.5° |
| C8 | N2 | H14 | 117.9° | 120.0° |
| C13 | C11 | C12 | 110.6° | 109.5° |
| C11 | C13 | H21 | 109.5° | 109.5° |
| C11 | C13 | H22 | 109.5° | 109.5° |
| C11 | C13 | H20 | 109.5° | 109.5° |
| C11 | C12 | H18 | 109.5° | 109.5° |
| C11 | C12 | H19 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.5° | 109.5° |
| C8 | C7 | C6 | 115.3° | 109.5° |
| C8 | C7 | H11 | 108.0° | 109.5° |
| C8 | C7 | H10 | 108.0° | 109.5° |
| C7 | C8 | H13 | 108.4° | 109.5° |
| C7 | C8 | H12 | 108.4° | 109.5° |
| O2 | C6 | C7 | 121.9° | 120.0° |
| O2 | C6 | N1 | 121.8° | 120.0° |
| C7 | C6 | N1 | 116.3° | 120.0° |
| C6 | C7 | H11 | 108.0° | 109.5° |
| C6 | C7 | H10 | 108.0° | 109.5° |
| C6 | N1 | C5 | 121.3° | 120.0° |
| C6 | N1 | H9 | 119.3° | 120.0° |
| C36 | C35 | C34 | 120.6° | 120.2° |
| C35 | C36 | C31 | 120.5° | 119.8° |
| C36 | C35 | H42 | 119.7° | 120.0° |
| C35 | C36 | H43 | 119.7° | 120.1° |
| C35 | C34 | C33 | 119.8° | 120.3° |
| C35 | C34 | H41 | 120.1° | 119.8° |
| C34 | C35 | H42 | 119.7° | 119.9° |
| C36 | C31 | C30 | 119.3° | 120.1° |
| C36 | C31 | C32 | 118.1° | 119.7° |
| C31 | C36 | H43 | 119.7° | 120.1° |
| C34 | C33 | C32 | 119.9° | 120.2° |
| C34 | C33 | H40 | 120.1° | 119.9° |
| C33 | C34 | H41 | 120.1° | 119.9° |
| N1 | C5 | C4 | 112.7° | 109.5° |
| N1 | C5 | H8 | 108.7° | 109.5° |
| N1 | C5 | H7 | 108.6° | 109.4° |
| C5 | N1 | H9 | 119.4° | 120.0° |
| O18 | C30 | C31 | 121.0° | 120.0° |
| O18 | C30 | C29 | 118.4° | 120.0° |
| C30 | C31 | C32 | 122.7° | 120.1° |
| C31 | C30 | C29 | 120.7° | 120.0° |
| C31 | C32 | C33 | 121.0° | 119.8° |
| C31 | C32 | H39 | 119.5° | 120.1° |
| C27 | C28 | C29 | 120.6° | 119.9° |
| C28 | C27 | C26 | 120.3° | 120.2° |
| C28 | C27 | H37 | 119.9° | 119.9° |
| C27 | C28 | H38 | 119.7° | 120.1° |
| C28 | C29 | C30 | 121.2° | 120.2° |
| C28 | C29 | C37 | 118.7° | 119.7° |
| C29 | C28 | H38 | 119.7° | 120.1° |
| C5 | C4 | S1 | 116.8° | 109.5° |
| C5 | C4 | H6 | 107.6° | 109.5° |
| C5 | C4 | H5 | 107.6° | 109.5° |
| C4 | C5 | H8 | 108.6° | 109.5° |
| C4 | C5 | H7 | 108.7° | 109.5° |
| C30 | C29 | C37 | 120.1° | 120.2° |
| C4 | S1 | C3 | 101.3° | 100.0° |
| S1 | C4 | H6 | 107.6° | 109.5° |
| S1 | C4 | H5 | 107.6° | 109.5° |
| C33 | C32 | H39 | 119.5° | 120.1° |
| C32 | C33 | H40 | 120.0° | 119.9° |
| C27 | C26 | C25 | 120.7° | 120.3° |
| C27 | C26 | H36 | 119.7° | 119.9° |
| C26 | C27 | H37 | 119.8° | 119.9° |
| C29 | C37 | C25 | 121.1° | 119.9° |
| C29 | C37 | H44 | 119.5° | 120.0° |
| S1 | C3 | C2 | 115.8° | 120.1° |
| S1 | C3 | O1 | 126.4° | 120.0° |
| C26 | C25 | C37 | 118.6° | 120.1° |
| C26 | C25 | C2 | 121.3° | 119.9° |
| C25 | C26 | H36 | 119.7° | 119.8° |
| C37 | C25 | C2 | 120.2° | 119.9° |
| C25 | C37 | H44 | 119.4° | 120.1° |
| C25 | C2 | C3 | 112.0° | 109.5° |
| C25 | C2 | C1 | 117.8° | 109.5° |
| C25 | C2 | H4 | 105.5° | 109.5° |
| C2 | C3 | O1 | 117.7° | 119.9° |
| C3 | C2 | C1 | 109.7° | 109.5° |
| C3 | C2 | H4 | 105.3° | 109.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 105.5° | 109.5° |
| H6 | C4 | H5 | 109.5° | 109.4° |
| H24 | C14 | H23 | 109.5° | 109.5° |
| H8 | C5 | H7 | 109.5° | 109.5° |
| H11 | C7 | H10 | 109.5° | 109.5° |
| H13 | C8 | H12 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H17 | 109.5° | 109.5° |
| H19 | C12 | H17 | 109.5° | 109.4° |
| H21 | C13 | H22 | 109.4° | 109.4° |
| H21 | C13 | H20 | 109.5° | 109.5° |
| H22 | C13 | H20 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H26 | C15 | H25 | 109.5° | 109.4° |
| H30 | N5 | H31 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C21 | N7 | H32 | 180.0° | 179.9° |
| C21 | N6 | C20 | N5 | 179.6° | 179.9° |
| C21 | N6 | C20 | C19 | 2.1° | 0.1° |
| N6 | C21 | N7 | C22 | 0.1° | 0.1° |
| C20 | N6 | C21 | N7 | 1.6° | 0.1° |
| N6 | C20 | N5 | C19 | 177.3° | 180.0° |
| N6 | C20 | C19 | C22 | 1.2° | 0.1° |
| N6 | C20 | C19 | N4 | 178.4° | 179.5° |
| N6 | C20 | N5 | H30 | 0.0° | 180.0° |
| N6 | C20 | N5 | H31 | 120.0° | 0.0° |
| C20 | N6 | C21 | H32 | 178.4° | 180.0° |
| C21 | N7 | C22 | C19 | 0.9° | 0.1° |
| C21 | N7 | C22 | N3 | 179.7° | 180.0° |
| N5 | C20 | C19 | C22 | 178.5° | 179.9° |
| N5 | C20 | C19 | N4 | 1.1° | 0.5° |
| C20 | N5 | H30 | H31 | 120.0° | 180.0° |
| C20 | C19 | C22 | N7 | 0.4° | 0.1° |
| C20 | C19 | C22 | N4 | 179.7° | 179.6° |
| C20 | C19 | C22 | N3 | 179.9° | 180.0° |
| C20 | C19 | N4 | C18 | 179.2° | 179.8° |
| C19 | C20 | N5 | H30 | 177.3° | 0.0° |
| C19 | C20 | N5 | H31 | 57.3° | 180.0° |
| N7 | C22 | C19 | N3 | 179.5° | 179.9° |
| N7 | C22 | C19 | N4 | 179.9° | 179.7° |
| N7 | C22 | N3 | C17 | 4.7° | 0.0° |
| N7 | C22 | N3 | C18 | 179.4° | 179.7° |
| C22 | N7 | C21 | H32 | 179.9° | 180.0° |
| C22 | C19 | N4 | C18 | 0.4° | 0.3° |
| C19 | C22 | N3 | C17 | 175.9° | 179.9° |
| C19 | C22 | N3 | C18 | 1.1° | 0.4° |
| N4 | C19 | C22 | N3 | 0.4° | 0.4° |
| C19 | N4 | C18 | N3 | 1.2° | 0.0° |
| C19 | N4 | C18 | H29 | 178.8° | 180.0° |
| C22 | N3 | C18 | N4 | 1.5° | 0.2° |
| C22 | N3 | C17 | C18 | 173.6° | 179.7° |
| C22 | N3 | C17 | C23 | 110.9° | 83.2° |
| C22 | N3 | C17 | O12 | 127.6° | 161.4° |
| C22 | N3 | C17 | H28 | 10.3° | 39.1° |
| C22 | N3 | C18 | H29 | 178.5° | 179.7° |
| O13 | C23 | C17 | N3 | 96.0° | 146.5° |
| O13 | C23 | C17 | C24 | 120.4° | 118.7° |
| O13 | C23 | C17 | H33 | 124.4° | 122.8° |
| O13 | C23 | C24 | H33 | 125.7° | 122.7° |
| O13 | C23 | C17 | O12 | 142.8° | 94.7° |
| O13 | C23 | C24 | O14 | 44.2° | 0.0° |
| O13 | C23 | C24 | C16 | 163.4° | 118.6° |
| O13 | C23 | C17 | H28 | 25.6° | 24.2° |
| O13 | C23 | C24 | H35 | 81.2° | 122.6° |
| N4 | C18 | N3 | C17 | 176.0° | 179.9° |
| N4 | C18 | N3 | H29 | 180.0° | 180.0° |
| N3 | C17 | C23 | O12 | 121.2° | 118.8° |
| N3 | C17 | C23 | H28 | 121.6° | 122.2° |
| N3 | C17 | C23 | C24 | 143.5° | 94.8° |
| N3 | C17 | O12 | H28 | 117.1° | 122.2° |
| N3 | C17 | O12 | C16 | 115.1° | 78.4° |
| C17 | N3 | C18 | H29 | 4.0° | 0.0° |
| N3 | C17 | C23 | H33 | 28.3° | 23.7° |
| C18 | N3 | C17 | C23 | 75.5° | 96.5° |
| C18 | N3 | C17 | O12 | 45.9° | 19.0° |
| C18 | N3 | C17 | H28 | 163.3° | 141.2° |
| O15 | P3 | O14 | O16 | 122.8° | 120.0° |
| O15 | P3 | O14 | O17 | 114.2° | 120.0° |
| O15 | P3 | O16 | O17 | 118.0° | 120.0° |
| O15 | P3 | O14 | C24 | 71.5° | 55.0° |
| O15 | P3 | O16 | H47 | 0.0° | 180.0° |
| O15 | P3 | O17 | H48 | 0.0° | 60.0° |
| C17 | C23 | C24 | H33 | 115.1° | 118.6° |
| C23 | C17 | O12 | H28 | 116.5° | 118.9° |
| C17 | C23 | C24 | O14 | 75.0° | 118.7° |
| C17 | C23 | C24 | C16 | 44.2° | 0.1° |
| C23 | C17 | O12 | C16 | 11.4° | 40.5° |
| C17 | C23 | O13 | H34 | 180.0° | 61.4° |
| C17 | C23 | C24 | H35 | 159.6° | 118.7° |
| C24 | C23 | C17 | O12 | 22.4° | 24.1° |
| C23 | C24 | O14 | P3 | 105.4° | 121.4° |
| C23 | C24 | O14 | C16 | 107.9° | 114.6° |
| C23 | C24 | O14 | H35 | 124.6° | 122.6° |
| C23 | C24 | C16 | H35 | 115.5° | 118.7° |
| C23 | C24 | C16 | O12 | 53.9° | 23.8° |
| C23 | C24 | C16 | C15 | 178.1° | 142.8° |
| C23 | C24 | C16 | H27 | 59.0° | 95.1° |
| C24 | C23 | C17 | H28 | 94.9° | 143.0° |
| C24 | C23 | O13 | H34 | 68.1° | 176.1° |
| C17 | O12 | C16 | C24 | 40.8° | 40.4° |
| C17 | O12 | C16 | C15 | 171.7° | 159.3° |
| C17 | O12 | C16 | H27 | 71.3° | 78.5° |
| O12 | C17 | C23 | H33 | 92.8° | 142.6° |
| O14 | P3 | O16 | O17 | 123.7° | 120.0° |
| P3 | O14 | C24 | C16 | 146.8° | 124.0° |
| P3 | O14 | C24 | H35 | 19.3° | 1.2° |
| O14 | P3 | O16 | H47 | 118.3° | 60.0° |
| O14 | P3 | O17 | H48 | 118.6° | 180.0° |
| O16 | P3 | O14 | C24 | 165.7° | 65.0° |
| O16 | P3 | O17 | H48 | 125.8° | 60.0° |
| O17 | P3 | O14 | C24 | 42.8° | 175.0° |
| O17 | P3 | O16 | H47 | 118.1° | 60.0° |
| O14 | C24 | C16 | H35 | 128.3° | 122.7° |
| O14 | C24 | C16 | O12 | 62.3° | 94.8° |
| O14 | C24 | C16 | C15 | 61.9° | 24.2° |
| O14 | C24 | C16 | H27 | 175.3° | 146.3° |
| O14 | C24 | C23 | H33 | 169.9° | 122.7° |
| C24 | C16 | O12 | C15 | 130.9° | 118.9° |
| C24 | C16 | O12 | H27 | 112.1° | 118.9° |
| C24 | C16 | C15 | H27 | 122.7° | 122.2° |
| C24 | C16 | C15 | O11 | 47.0° | 176.6° |
| C24 | C16 | C15 | H26 | 166.6° | 56.5° |
| C24 | C16 | C15 | H25 | 72.6° | 63.5° |
| C16 | C24 | C23 | H33 | 70.9° | 118.7° |
| O12 | C16 | C15 | H27 | 117.6° | 122.3° |
| O12 | C16 | C15 | O11 | 166.7° | 67.9° |
| O12 | C16 | C15 | H26 | 73.7° | 172.0° |
| O12 | C16 | C15 | H25 | 47.1° | 52.1° |
| C16 | O12 | C17 | H28 | 127.9° | 159.4° |
| O12 | C16 | C24 | H35 | 169.4° | 142.5° |
| C16 | C15 | O11 | H26 | 119.6° | 120.0° |
| C16 | C15 | O11 | H25 | 119.6° | 120.0° |
| C16 | C15 | O11 | P2 | 157.6° | 180.0° |
| C16 | C15 | H26 | H25 | 121.2° | 120.0° |
| C15 | C16 | C24 | H35 | 66.4° | 98.6° |
| C15 | O11 | P2 | O10 | 86.4° | 55.0° |
| C15 | O11 | P2 | O8 | 29.3° | 175.0° |
| C15 | O11 | P2 | O9 | 150.7° | 65.0° |
| O11 | C15 | H26 | H25 | 121.2° | 120.0° |
| O11 | C15 | C16 | H27 | 75.7° | 54.4° |
| O11 | P2 | O10 | O8 | 105.6° | 120.0° |
| O11 | P2 | O10 | O9 | 121.5° | 120.0° |
| O11 | P2 | O8 | O9 | 116.9° | 120.0° |
| O11 | P2 | O8 | P1 | 132.7° | 160.0° |
| O11 | P2 | O9 | H46 | 119.7° | 60.0° |
| P2 | O11 | C15 | H26 | 38.0° | 60.0° |
| P2 | O11 | C15 | H25 | 82.8° | 60.0° |
| O10 | P2 | O8 | O9 | 131.1° | 119.9° |
| O10 | P2 | O8 | P1 | 115.3° | 40.0° |
| O10 | P2 | O9 | H46 | 0.0° | 180.0° |
| P2 | O8 | P1 | O7 | 166.0° | 40.0° |
| P2 | O8 | P1 | O6 | 27.7° | 80.0° |
| P2 | O8 | P1 | O5 | 90.0° | 160.0° |
| O8 | P2 | O9 | H46 | 130.8° | 60.0° |
| O9 | P2 | O8 | P1 | 15.8° | 80.0° |
| O8 | P1 | O7 | O6 | 127.1° | 120.0° |
| O8 | P1 | O7 | O5 | 100.2° | 120.0° |
| O8 | P1 | O6 | O5 | 103.2° | 120.0° |
| O8 | P1 | O5 | C14 | 140.1° | 175.0° |
| O8 | P1 | O6 | H45 | 129.5° | 60.0° |
| O7 | P1 | O6 | O5 | 127.3° | 120.0° |
| O7 | P1 | O5 | C14 | 107.6° | 55.0° |
| O7 | P1 | O6 | H45 | 0.0° | 180.0° |
| O6 | P1 | O5 | C14 | 31.4° | 65.0° |
| P1 | O5 | C14 | C11 | 150.2° | 180.0° |
| P1 | O5 | C14 | H24 | 89.6° | 60.0° |
| P1 | O5 | C14 | H23 | 30.0° | 60.0° |
| O5 | P1 | O6 | H45 | 127.3° | 60.0° |
| O5 | C14 | C11 | C10 | 51.2° | 180.0° |
| O5 | C14 | C11 | H24 | 120.2° | 119.9° |
| O5 | C14 | C11 | H23 | 120.2° | 120.1° |
| O5 | C14 | C11 | C13 | 70.0° | 60.0° |
| O5 | C14 | C11 | C12 | 171.9° | 60.0° |
| O5 | C14 | H24 | H23 | 119.4° | 120.1° |
| O4 | C10 | C9 | C11 | 122.9° | 120.1° |
| O4 | C10 | C9 | H15 | 119.2° | 120.0° |
| O4 | C10 | C11 | H15 | 117.2° | 120.0° |
| O4 | C10 | C11 | C14 | 87.5° | 58.0° |
| O4 | C10 | C9 | N2 | 1.5° | 168.8° |
| O4 | C10 | C9 | O3 | 178.2° | 11.2° |
| O4 | C10 | C11 | C13 | 35.8° | 62.0° |
| O4 | C10 | C11 | C12 | 159.1° | 178.0° |
| C9 | C10 | C11 | H15 | 118.1° | 120.0° |
| C9 | C10 | C11 | C14 | 147.8° | 62.1° |
| C10 | C9 | N2 | O3 | 179.7° | 180.0° |
| C10 | C9 | N2 | C8 | 177.5° | 175.0° |
| C9 | C10 | C11 | C13 | 88.9° | 178.0° |
| C9 | C10 | C11 | C12 | 34.4° | 58.0° |
| C10 | C9 | N2 | H14 | 2.5° | 5.0° |
| C9 | C10 | O4 | H16 | 106.8° | 60.0° |
| C10 | C11 | C14 | C13 | 121.3° | 120.0° |
| C10 | C11 | C14 | C12 | 120.6° | 120.0° |
| C11 | C10 | C9 | N2 | 121.4° | 71.1° |
| C11 | C10 | C9 | O3 | 58.8° | 108.9° |
| C10 | C11 | C13 | C12 | 124.9° | 120.0° |
| C10 | C11 | C14 | H24 | 171.4° | 60.1° |
| C10 | C11 | C14 | H23 | 68.9° | 60.0° |
| C10 | C11 | C12 | H18 | 180.0° | 172.8° |
| C10 | C11 | C12 | H19 | 60.0° | 52.8° |
| C10 | C11 | C12 | H17 | 60.0° | 67.1° |
| C10 | C11 | C13 | H21 | 180.0° | 65.0° |
| C10 | C11 | C13 | H22 | 60.0° | 55.0° |
| C10 | C11 | C13 | H20 | 60.0° | 175.0° |
| C11 | C10 | O4 | H16 | 127.7° | 60.0° |
| C14 | C11 | C13 | C12 | 112.7° | 120.0° |
| C11 | C14 | H24 | H23 | 119.4° | 120.0° |
| C14 | C11 | C10 | H15 | 29.7° | 178.0° |
| C14 | C11 | C12 | H18 | 61.3° | 67.2° |
| C14 | C11 | C12 | H19 | 58.7° | 172.8° |
| C14 | C11 | C12 | H17 | 178.7° | 52.8° |
| C14 | C11 | C13 | H21 | 57.6° | 54.9° |
| C14 | C11 | C13 | H22 | 177.6° | 174.9° |
| C14 | C11 | C13 | H20 | 62.4° | 65.1° |
| C9 | N2 | C8 | H14 | 180.0° | 180.0° |
| C9 | N2 | C8 | C7 | 81.9° | 180.0° |
| C9 | N2 | C8 | H13 | 38.8° | 60.1° |
| C9 | N2 | C8 | H12 | 157.5° | 60.0° |
| N2 | C9 | C10 | H15 | 120.7° | 48.8° |
| C8 | N2 | C9 | O3 | 2.2° | 5.0° |
| N2 | C8 | C7 | H13 | 120.6° | 120.0° |
| N2 | C8 | C7 | H12 | 120.6° | 120.0° |
| N2 | C8 | C7 | C6 | 24.0° | 180.0° |
| N2 | C8 | C7 | H11 | 96.9° | 60.0° |
| N2 | C8 | C7 | H10 | 144.8° | 60.0° |
| N2 | C8 | H13 | H12 | 118.1° | 120.0° |
| O3 | C9 | C10 | H15 | 59.0° | 131.2° |
| O3 | C9 | N2 | H14 | 177.8° | 174.9° |
| C13 | C11 | C14 | H24 | 50.2° | 180.0° |
| C13 | C11 | C14 | H23 | 169.8° | 60.0° |
| C13 | C11 | C10 | H15 | 153.1° | 58.0° |
| C13 | C11 | C12 | H18 | 57.9° | 52.8° |
| C13 | C11 | C12 | H19 | 177.9° | 67.2° |
| C13 | C11 | C12 | H17 | 62.1° | 172.8° |
| C11 | C13 | H21 | H22 | 120.0° | 120.0° |
| C11 | C13 | H21 | H20 | 120.0° | 120.0° |
| C11 | C13 | H22 | H20 | 120.0° | 120.0° |
| C12 | C11 | C14 | H24 | 68.0° | 60.0° |
| C12 | C11 | C14 | H23 | 51.7° | 180.0° |
| C12 | C11 | C10 | H15 | 83.7° | 62.0° |
| C11 | C12 | H18 | H19 | 120.0° | 120.0° |
| C11 | C12 | H18 | H17 | 120.0° | 120.0° |
| C11 | C12 | H19 | H17 | 120.0° | 119.9° |
| C12 | C11 | C13 | H21 | 55.1° | 175.0° |
| C12 | C11 | C13 | H22 | 64.9° | 65.1° |
| C12 | C11 | C13 | H20 | 175.1° | 55.0° |
| C8 | C7 | C6 | O2 | 51.1° | 0.0° |
| C8 | C7 | C6 | H11 | 120.9° | 120.0° |
| C8 | C7 | C6 | H10 | 120.9° | 120.0° |
| C8 | C7 | C6 | N1 | 129.0° | 180.0° |
| C8 | C7 | H11 | H10 | 117.4° | 120.0° |
| C7 | C8 | H13 | H12 | 118.1° | 120.0° |
| C7 | C8 | N2 | H14 | 98.2° | 0.0° |
| O2 | C6 | C7 | N1 | 179.9° | 180.0° |
| O2 | C6 | N1 | C5 | 1.4° | 0.0° |
| O2 | C6 | C7 | H11 | 172.0° | 120.0° |
| O2 | C6 | C7 | H10 | 69.8° | 120.0° |
| O2 | C6 | N1 | H9 | 178.6° | 180.0° |
| C7 | C6 | N1 | C5 | 178.6° | 180.0° |
| C6 | C7 | H11 | H10 | 117.3° | 120.0° |
| C6 | C7 | C8 | H13 | 144.6° | 60.0° |
| C6 | C7 | C8 | H12 | 96.6° | 60.0° |
| C7 | C6 | N1 | H9 | 1.5° | 0.0° |
| C6 | N1 | C5 | H9 | 180.0° | 180.0° |
| C6 | N1 | C5 | C4 | 66.4° | 180.0° |
| C6 | N1 | C5 | H8 | 54.0° | 60.0° |
| C6 | N1 | C5 | H7 | 173.1° | 60.0° |
| N1 | C6 | C7 | H11 | 8.1° | 60.0° |
| N1 | C6 | C7 | H10 | 110.2° | 60.0° |
| C36 | C35 | C34 | H42 | 180.0° | 179.5° |
| C35 | C36 | C31 | H43 | 180.0° | 179.6° |
| C36 | C35 | C34 | C33 | 0.9° | 0.3° |
| C35 | C36 | C31 | C30 | 179.2° | 179.8° |
| C35 | C36 | C31 | C32 | 0.0° | 0.5° |
| C36 | C35 | C34 | H41 | 179.1° | 179.8° |
| C34 | C35 | C36 | C31 | 0.4° | 0.5° |
| C35 | C34 | C33 | H41 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.9° | 0.0° |
| C35 | C34 | C33 | H40 | 179.1° | 179.9° |
| C34 | C35 | C36 | H43 | 179.6° | 179.9° |
| C36 | C31 | C30 | O18 | 21.1° | 157.6° |
| C36 | C31 | C30 | C32 | 179.3° | 179.7° |
| C36 | C31 | C30 | C29 | 159.4° | 22.5° |
| C36 | C31 | C32 | C33 | 0.1° | 0.3° |
| C36 | C31 | C32 | H39 | 179.9° | 179.8° |
| C31 | C36 | C35 | H42 | 179.6° | 180.0° |
| C34 | C33 | C32 | C31 | 0.5° | 0.0° |
| C34 | C33 | C32 | H40 | 180.0° | 179.9° |
| C34 | C33 | C32 | H39 | 179.5° | 180.0° |
| C33 | C34 | C35 | H42 | 179.1° | 179.8° |
| N1 | C5 | C4 | H8 | 120.5° | 120.0° |
| N1 | C5 | C4 | H7 | 120.5° | 120.0° |
| N1 | C5 | C4 | S1 | 174.3° | 180.0° |
| N1 | C5 | C4 | H6 | 64.7° | 60.0° |
| N1 | C5 | C4 | H5 | 53.2° | 59.9° |
| N1 | C5 | H8 | H7 | 118.5° | 120.0° |
| O18 | C30 | C31 | C29 | 179.4° | 180.0° |
| O18 | C30 | C31 | C32 | 159.6° | 22.1° |
| O18 | C30 | C29 | C28 | 140.2° | 157.9° |
| O18 | C30 | C29 | C37 | 40.5° | 21.9° |
| C31 | C30 | C29 | C28 | 40.4° | 22.1° |
| C30 | C31 | C32 | C33 | 179.2° | 179.9° |
| C31 | C30 | C29 | C37 | 139.0° | 158.2° |
| C30 | C31 | C32 | H39 | 0.8° | 0.1° |
| C30 | C31 | C36 | H43 | 0.7° | 0.2° |
| C32 | C31 | C30 | C29 | 19.8° | 157.9° |
| C31 | C32 | C33 | H39 | 180.0° | 180.0° |
| C31 | C32 | C33 | H40 | 179.4° | 179.9° |
| C32 | C31 | C36 | H43 | 180.0° | 179.9° |
| C27 | C28 | C29 | H38 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 178.4° | 180.0° |
| C28 | C27 | C26 | H37 | 180.0° | 180.0° |
| C27 | C28 | C29 | C37 | 1.0° | 0.3° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C28 | C27 | C26 | H36 | 179.6° | 179.9° |
| C28 | C29 | C30 | C37 | 179.4° | 179.7° |
| C29 | C28 | C27 | C26 | 0.3° | 0.0° |
| C28 | C29 | C37 | C25 | 1.8° | 0.6° |
| C29 | C28 | C27 | H37 | 179.7° | 180.0° |
| C28 | C29 | C37 | H44 | 178.2° | 180.0° |
| C5 | C4 | S1 | H6 | 121.0° | 120.0° |
| C5 | C4 | S1 | H5 | 121.1° | 120.0° |
| C5 | C4 | S1 | C3 | 87.0° | 180.0° |
| C5 | C4 | H6 | H5 | 116.7° | 120.0° |
| C4 | C5 | H8 | H7 | 118.5° | 120.0° |
| C4 | C5 | N1 | H9 | 113.6° | 0.0° |
| C30 | C29 | C37 | C25 | 177.6° | 179.7° |
| C30 | C29 | C28 | H38 | 1.6° | 0.0° |
| C30 | C29 | C37 | H44 | 2.4° | 0.3° |
| C4 | S1 | C3 | C2 | 167.1° | 180.0° |
| C4 | S1 | C3 | O1 | 9.9° | 0.0° |
| S1 | C4 | H6 | H5 | 116.7° | 120.0° |
| S1 | C4 | C5 | H8 | 53.8° | 60.0° |
| S1 | C4 | C5 | H7 | 65.2° | 60.0° |
| C32 | C33 | C34 | H41 | 179.1° | 180.0° |
| C27 | C26 | C25 | H36 | 180.0° | 179.9° |
| C27 | C26 | C25 | C37 | 1.2° | 0.3° |
| C27 | C26 | C25 | C2 | 179.5° | 180.0° |
| C26 | C27 | C28 | H38 | 179.7° | 180.0° |
| C29 | C37 | C25 | C26 | 1.9° | 0.6° |
| C29 | C37 | C25 | H44 | 180.0° | 179.4° |
| C29 | C37 | C25 | C2 | 179.7° | 179.7° |
| C37 | C29 | C28 | H38 | 179.0° | 179.7° |
| S1 | C3 | C2 | C25 | 12.6° | 180.0° |
| S1 | C3 | C2 | O1 | 177.3° | 180.0° |
| S1 | C3 | C2 | C1 | 145.4° | 60.0° |
| C3 | S1 | C4 | H6 | 34.1° | 60.0° |
| C3 | S1 | C4 | H5 | 151.9° | 60.0° |
| S1 | C3 | C2 | H4 | 101.6° | 60.0° |
| C26 | C25 | C37 | C2 | 178.4° | 179.7° |
| C26 | C25 | C2 | C3 | 56.5° | 60.0° |
| C26 | C25 | C2 | C1 | 72.1° | 60.0° |
| C26 | C25 | C2 | H4 | 170.5° | 180.0° |
| C25 | C26 | C27 | H37 | 179.6° | 180.0° |
| C26 | C25 | C37 | H44 | 178.1° | 180.0° |
| C37 | C25 | C2 | C3 | 121.8° | 119.7° |
| C37 | C25 | C2 | C1 | 109.6° | 120.3° |
| C37 | C25 | C2 | H4 | 7.8° | 0.3° |
| C37 | C25 | C26 | H36 | 178.8° | 179.8° |
| C25 | C2 | C3 | C1 | 132.8° | 120.0° |
| C25 | C2 | C3 | H4 | 114.2° | 120.0° |
| C25 | C2 | C3 | O1 | 170.2° | 0.0° |
| C25 | C2 | C1 | H4 | 117.4° | 120.0° |
| C25 | C2 | C1 | H1 | 180.0° | 60.0° |
| C25 | C2 | C1 | H2 | 60.0° | 179.9° |
| C25 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | C25 | C26 | H36 | 0.5° | 0.0° |
| C2 | C25 | C37 | H44 | 0.3° | 0.3° |
| C3 | C2 | C1 | H4 | 112.9° | 119.9° |
| C3 | C2 | C1 | H1 | 50.3° | 180.0° |
| C3 | C2 | C1 | H2 | 69.7° | 59.9° |
| C3 | C2 | C1 | H3 | 170.3° | 60.0° |
| O1 | C3 | C2 | C1 | 37.4° | 120.0° |
| O1 | C3 | C2 | H4 | 75.7° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 119.9° |
| H6 | C4 | C5 | H8 | 174.8° | 60.1° |
| H6 | C4 | C5 | H7 | 55.8° | 179.9° |
| H5 | C4 | C5 | H8 | 67.3° | 180.0° |
| H5 | C4 | C5 | H7 | 173.7° | 60.0° |
| H8 | C5 | N1 | H9 | 125.9° | 120.0° |
| H7 | C5 | N1 | H9 | 6.9° | 120.0° |
| H11 | C7 | C8 | H13 | 23.8° | 180.0° |
| H11 | C7 | C8 | H12 | 142.5° | 60.0° |
| H10 | C7 | C8 | H13 | 94.5° | 60.0° |
| H10 | C7 | C8 | H12 | 24.2° | 180.0° |
| H13 | C8 | N2 | H14 | 141.2° | 120.0° |
| H12 | C8 | N2 | H14 | 22.5° | 120.0° |
| H15 | C10 | O4 | H16 | 11.6° | 180.0° |
| H18 | C12 | H19 | H17 | 120.0° | 120.0° |
| H21 | C13 | H22 | H20 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 62.6° | 60.0° |
| H2 | C1 | C2 | H4 | 177.4° | 60.0° |
| H3 | C1 | C2 | H4 | 57.4° | 179.9° |
| H26 | C15 | C16 | H27 | 43.9° | 65.7° |
| H25 | C15 | C16 | H27 | 164.7° | 174.3° |
| H27 | C16 | C24 | H35 | 56.4° | 23.6° |
| H28 | C17 | C23 | H33 | 149.9° | 98.5° |
| H33 | C23 | O13 | H34 | 56.6° | 61.3° |
| H33 | C23 | C24 | H35 | 44.5° | 0.1° |
| H36 | C26 | C27 | H37 | 0.4° | 0.1° |
| H37 | C27 | C28 | H38 | 0.3° | 0.0° |
| H39 | C32 | C33 | H40 | 0.5° | 0.0° |
| H40 | C33 | C34 | H41 | 0.9° | 0.0° |
| H41 | C34 | C35 | H42 | 0.9° | 0.3° |
| H42 | C35 | C36 | H43 | 0.4° | 0.4° |
