A1IZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C29 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C28 | sing | 1.33Å | 1.35Å | Aromatic |
| C29 | N7 | sing | 1.32Å | 1.33Å | Aromatic |
| N5 | C28 | sing | 1.38Å | 1.33Å | |
| C28 | C27 | doub | 1.41Å | 1.41Å | Aromatic |
| N7 | C30 | doub | 1.33Å | 1.34Å | Aromatic |
| C27 | C30 | sing | 1.41Å | 1.38Å | Aromatic |
| C27 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C30 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| O13 | C31 | sing | 1.43Å | 1.41Å | |
| N4 | C26 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C25 | sing | 1.47Å | 1.46Å | |
| N3 | C26 | sing | 1.36Å | 1.37Å | Aromatic |
| O15 | P3 | doub | 1.48Å | 1.51Å | |
| C31 | C25 | sing | 1.54Å | 1.53Å | |
| C31 | C32 | sing | 1.55Å | 1.53Å | |
| C25 | O12 | sing | 1.45Å | 1.44Å | |
| P3 | O14 | sing | 1.61Å | 1.64Å | |
| P3 | O16 | sing | 1.61Å | 1.52Å | |
| P3 | O17 | sing | 1.61Å | 1.51Å | |
| O14 | C32 | sing | 1.43Å | 1.45Å | |
| C32 | C24 | sing | 1.55Å | 1.54Å | |
| O12 | C24 | sing | 1.44Å | 1.44Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | O11 | sing | 1.43Å | 1.46Å | |
| O11 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O10 | doub | 1.48Å | 1.49Å | |
| P2 | O9 | sing | 1.61Å | 1.49Å | |
| P2 | O8 | sing | 1.61Å | 1.62Å | |
| O8 | P1 | sing | 1.61Å | 1.60Å | |
| O7 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | O6 | sing | 1.61Å | 1.49Å | |
| P1 | O5 | sing | 1.61Å | 1.60Å | |
| O4 | C18 | sing | 1.43Å | 1.43Å | |
| O5 | C22 | sing | 1.43Å | 1.45Å | |
| C22 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C18 | C17 | sing | 1.51Å | 1.54Å | |
| N2 | C17 | sing | 1.35Å | 1.34Å | |
| N2 | C16 | sing | 1.47Å | 1.46Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C17 | O3 | doub | 1.21Å | 1.25Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| O2 | C14 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N1 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C12 | S1 | sing | 1.81Å | 1.83Å | |
| S1 | C11 | sing | 1.71Å | 1.79Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C11 | C9 | sing | 1.51Å | 1.53Å | |
| C11 | O1 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| O4 | H31 | sing | 0.97Å | 0.95Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| O6 | H40 | sing | 0.97Å | 0.95Å | |
| O9 | H41 | sing | 0.97Å | 0.95Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.08Å | 1.08Å | |
| N5 | H47 | sing | 0.97Å | 1.00Å | |
| N5 | H48 | sing | 0.97Å | 1.00Å | |
| C29 | H49 | sing | 1.08Å | 1.08Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| O13 | H51 | sing | 0.97Å | 0.95Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| O16 | H53 | sing | 0.97Å | 0.95Å | |
| O17 | H54 | sing | 0.97Å | 0.95Å | |
| C4 | H55 | sing | 1.09Å | 1.10Å | |
| C3 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N6 | C28 | 118.7° | 121.2° |
| N6 | C29 | N7 | 129.1° | 122.4° |
| N6 | C29 | H49 | 115.5° | 118.8° |
| N6 | C28 | N5 | 117.8° | 120.8° |
| N6 | C28 | C27 | 117.4° | 118.5° |
| C29 | N7 | C30 | 111.3° | 120.6° |
| N7 | C29 | H49 | 115.5° | 118.8° |
| N5 | C28 | C27 | 124.8° | 120.7° |
| C28 | N5 | H47 | 109.5° | 120.0° |
| C28 | N5 | H48 | 109.5° | 119.9° |
| C28 | C27 | C30 | 117.3° | 118.1° |
| C28 | C27 | N4 | 132.6° | 134.7° |
| N7 | C30 | C27 | 126.3° | 119.1° |
| N7 | C30 | N3 | 127.3° | 134.9° |
| C30 | C27 | N4 | 110.1° | 107.1° |
| C27 | C30 | N3 | 106.3° | 106.0° |
| C27 | N4 | C26 | 104.4° | 109.4° |
| C30 | N3 | C25 | 123.8° | 126.2° |
| C30 | N3 | C26 | 105.7° | 107.5° |
| O13 | C31 | C25 | 107.2° | 110.5° |
| O13 | C31 | C32 | 115.1° | 110.6° |
| O13 | C31 | H50 | 112.4° | 110.6° |
| C31 | O13 | H51 | 109.5° | 114.0° |
| N4 | C26 | N3 | 113.5° | 110.0° |
| N4 | C26 | H46 | 123.3° | 125.0° |
| C25 | N3 | C26 | 130.3° | 126.3° |
| N3 | C25 | C31 | 117.3° | 110.4° |
| N3 | C25 | O12 | 108.2° | 110.3° |
| N3 | C25 | H45 | 107.8° | 110.3° |
| N3 | C26 | H46 | 123.3° | 125.0° |
| O15 | P3 | O14 | 110.6° | 109.5° |
| O15 | P3 | O16 | 116.5° | 109.5° |
| O15 | P3 | O17 | 99.9° | 109.4° |
| C25 | C31 | C32 | 100.3° | 104.1° |
| C31 | C25 | O12 | 108.2° | 104.8° |
| C31 | C25 | H45 | 106.9° | 110.5° |
| C25 | C31 | H50 | 110.5° | 110.5° |
| C31 | C32 | O14 | 111.8° | 110.5° |
| C31 | C32 | C24 | 96.8° | 103.9° |
| C32 | C31 | H50 | 110.5° | 110.4° |
| C31 | C32 | H52 | 110.0° | 110.5° |
| C25 | O12 | C24 | 104.7° | 105.3° |
| O12 | C25 | H45 | 108.1° | 110.4° |
| O14 | P3 | O16 | 104.3° | 109.5° |
| O14 | P3 | O17 | 114.3° | 109.5° |
| P3 | O14 | C32 | 127.8° | 123.0° |
| O16 | P3 | O17 | 111.7° | 109.5° |
| P3 | O16 | H53 | 109.5° | 114.0° |
| P3 | O17 | H54 | 109.5° | 114.0° |
| O14 | C32 | C24 | 116.2° | 110.4° |
| O14 | C32 | H52 | 111.2° | 110.6° |
| C32 | C24 | O12 | 102.3° | 104.9° |
| C32 | C24 | C23 | 122.0° | 110.4° |
| C32 | C24 | H44 | 106.4° | 110.4° |
| C24 | C32 | H52 | 109.9° | 110.7° |
| O12 | C24 | C23 | 111.1° | 110.4° |
| O12 | C24 | H44 | 107.5° | 110.4° |
| C24 | C23 | O11 | 107.5° | 109.4° |
| C24 | C23 | H42 | 109.9° | 109.5° |
| C24 | C23 | H43 | 109.9° | 109.5° |
| C23 | C24 | H44 | 106.7° | 110.3° |
| C23 | O11 | P2 | 121.0° | 123.0° |
| O11 | C23 | H42 | 110.0° | 109.5° |
| O11 | C23 | H43 | 110.0° | 109.5° |
| O11 | P2 | O10 | 105.8° | 109.5° |
| O11 | P2 | O9 | 110.6° | 109.5° |
| O11 | P2 | O8 | 101.9° | 109.5° |
| O10 | P2 | O9 | 112.7° | 109.4° |
| O10 | P2 | O8 | 108.7° | 109.5° |
| O9 | P2 | O8 | 116.2° | 109.5° |
| P2 | O9 | H41 | 109.5° | 114.0° |
| P2 | O8 | P1 | 130.7° | 134.0° |
| O8 | P1 | O7 | 108.6° | 109.5° |
| O8 | P1 | O6 | 108.8° | 109.4° |
| O8 | P1 | O5 | 103.9° | 109.4° |
| O7 | P1 | O6 | 126.7° | 109.5° |
| O7 | P1 | O5 | 110.1° | 109.4° |
| O6 | P1 | O5 | 96.2° | 109.5° |
| P1 | O6 | H40 | 109.5° | 114.1° |
| P1 | O5 | C22 | 124.5° | 123.0° |
| O4 | C18 | C19 | 106.5° | 109.4° |
| O4 | C18 | C17 | 111.9° | 109.5° |
| O4 | C18 | H30 | 108.6° | 109.5° |
| C18 | O4 | H31 | 109.5° | 114.0° |
| O5 | C22 | C19 | 108.8° | 109.5° |
| O5 | C22 | H38 | 109.6° | 109.5° |
| O5 | C22 | H39 | 109.6° | 109.4° |
| C22 | C19 | C18 | 110.2° | 109.5° |
| C22 | C19 | C21 | 102.8° | 109.5° |
| C22 | C19 | C20 | 110.8° | 109.5° |
| C19 | C22 | H38 | 109.6° | 109.5° |
| C19 | C22 | H39 | 109.6° | 109.4° |
| C19 | C18 | C17 | 115.2° | 109.5° |
| C18 | C19 | C21 | 111.7° | 109.5° |
| C18 | C19 | C20 | 111.1° | 109.5° |
| C19 | C18 | H30 | 107.0° | 109.4° |
| C18 | C17 | N2 | 115.2° | 120.0° |
| C18 | C17 | O3 | 120.4° | 120.0° |
| C17 | C18 | H30 | 107.4° | 109.5° |
| C17 | N2 | C16 | 124.5° | 120.0° |
| N2 | C17 | O3 | 124.4° | 120.0° |
| C17 | N2 | H19 | 117.7° | 120.0° |
| N2 | C16 | C15 | 113.6° | 109.5° |
| C16 | N2 | H19 | 117.7° | 119.9° |
| N2 | C16 | H28 | 108.5° | 109.4° |
| N2 | C16 | H29 | 108.4° | 109.5° |
| C21 | C19 | C20 | 109.8° | 109.4° |
| C19 | C21 | H35 | 109.5° | 109.4° |
| C19 | C21 | H36 | 109.5° | 109.5° |
| C19 | C21 | H37 | 109.5° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| C19 | C20 | H33 | 109.5° | 109.5° |
| C19 | C20 | H34 | 109.5° | 109.5° |
| C16 | C15 | C14 | 116.3° | 109.5° |
| C16 | C15 | H26 | 107.7° | 109.4° |
| C16 | C15 | H27 | 107.7° | 109.4° |
| C15 | C16 | H28 | 108.4° | 109.5° |
| C15 | C16 | H29 | 108.5° | 109.5° |
| O2 | C14 | C15 | 122.0° | 120.0° |
| O2 | C14 | N1 | 121.9° | 120.0° |
| C3 | C2 | C1 | 117.4° | 109.5° |
| C2 | C3 | C4 | 117.0° | 109.5° |
| C2 | C3 | H20 | 107.5° | 109.5° |
| C3 | C2 | H24 | 107.4° | 109.5° |
| C3 | C2 | H25 | 107.4° | 109.4° |
| C2 | C3 | H56 | 107.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C2 | C1 | H23 | 109.5° | 109.4° |
| C1 | C2 | H24 | 107.4° | 109.5° |
| C1 | C2 | H25 | 107.5° | 109.4° |
| C3 | C4 | C5 | 118.1° | 109.5° |
| C3 | C4 | H1 | 107.2° | 109.5° |
| C4 | C3 | H20 | 107.5° | 109.5° |
| C3 | C4 | H55 | 107.3° | 109.5° |
| C4 | C3 | H56 | 107.5° | 109.4° |
| C15 | C14 | N1 | 116.1° | 120.0° |
| C14 | C15 | H26 | 107.8° | 109.5° |
| C14 | C15 | H27 | 107.7° | 109.5° |
| C14 | N1 | C13 | 122.1° | 120.0° |
| C14 | N1 | H18 | 118.9° | 120.0° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C5 | C4 | H1 | 107.3° | 109.4° |
| C4 | C5 | H2 | 108.3° | 109.5° |
| C4 | C5 | H3 | 108.3° | 109.5° |
| C5 | C4 | H55 | 107.2° | 109.4° |
| N1 | C13 | C12 | 112.7° | 109.5° |
| N1 | C13 | H16 | 108.7° | 109.4° |
| N1 | C13 | H17 | 108.7° | 109.4° |
| C13 | N1 | H18 | 118.9° | 120.0° |
| C13 | C12 | S1 | 117.7° | 109.5° |
| C13 | C12 | H14 | 107.4° | 109.5° |
| C13 | C12 | H15 | 107.4° | 109.5° |
| C12 | C13 | H16 | 108.6° | 109.5° |
| C12 | C13 | H17 | 108.7° | 109.5° |
| C5 | C6 | C7 | 114.5° | 109.5° |
| C6 | C5 | H2 | 108.3° | 109.5° |
| C6 | C5 | H3 | 108.3° | 109.5° |
| C5 | C6 | H4 | 108.2° | 109.5° |
| C5 | C6 | H5 | 108.2° | 109.5° |
| C12 | S1 | C11 | 103.4° | 100.0° |
| S1 | C12 | H14 | 107.4° | 109.5° |
| S1 | C12 | H15 | 107.4° | 109.5° |
| S1 | C11 | C9 | 115.8° | 120.0° |
| S1 | C11 | O1 | 123.1° | 120.0° |
| C6 | C7 | C8 | 116.5° | 109.5° |
| C7 | C6 | H4 | 108.2° | 109.4° |
| C7 | C6 | H5 | 108.2° | 109.5° |
| C6 | C7 | H6 | 107.7° | 109.5° |
| C6 | C7 | H7 | 107.7° | 109.4° |
| C7 | C8 | C9 | 118.9° | 109.5° |
| C8 | C7 | H6 | 107.7° | 109.5° |
| C8 | C7 | H7 | 107.7° | 109.5° |
| C7 | C8 | H8 | 107.0° | 109.5° |
| C7 | C8 | H9 | 107.1° | 109.5° |
| C8 | C9 | C11 | 115.3° | 109.5° |
| C8 | C9 | C10 | 112.9° | 109.5° |
| C9 | C8 | H8 | 107.1° | 109.4° |
| C9 | C8 | H9 | 107.0° | 109.4° |
| C8 | C9 | H10 | 106.8° | 109.5° |
| C9 | C11 | O1 | 121.1° | 120.0° |
| C11 | C9 | C10 | 107.5° | 109.5° |
| C11 | C9 | H10 | 107.0° | 109.4° |
| C10 | C9 | H10 | 106.8° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| H1 | C4 | H55 | 109.5° | 109.5° |
| H2 | C5 | H3 | 109.4° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H11 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H20 | C3 | H56 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.5° |
| H21 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.4° | 109.4° |
| H24 | C2 | H25 | 109.5° | 109.5° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| H28 | C16 | H29 | 109.4° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H34 | 109.4° | 109.5° |
| H33 | C20 | H34 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.4° | 109.5° |
| H35 | C21 | H37 | 109.5° | 109.5° |
| H36 | C21 | H37 | 109.5° | 109.5° |
| H38 | C22 | H39 | 109.5° | 109.4° |
| H42 | C23 | H43 | 109.5° | 109.5° |
| H47 | N5 | H48 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C29 | N7 | H49 | 180.0° | 179.9° |
| C29 | N6 | C28 | N5 | 178.7° | 180.0° |
| C29 | N6 | C28 | C27 | 1.9° | 0.0° |
| N6 | C29 | N7 | C30 | 0.2° | 0.0° |
| C28 | N6 | C29 | N7 | 1.5° | 0.0° |
| N6 | C28 | N5 | C27 | 176.5° | 180.0° |
| N6 | C28 | C27 | C30 | 1.2° | 0.0° |
| N6 | C28 | C27 | N4 | 178.9° | 179.5° |
| N6 | C28 | N5 | H47 | 0.0° | 180.0° |
| N6 | C28 | N5 | H48 | 120.0° | 0.1° |
| C28 | N6 | C29 | H49 | 178.5° | 180.0° |
| C29 | N7 | C30 | C27 | 0.6° | 0.0° |
| C29 | N7 | C30 | N3 | 180.0° | 180.0° |
| N5 | C28 | C27 | C30 | 177.7° | 180.0° |
| N5 | C28 | C27 | N4 | 2.3° | 0.4° |
| C28 | N5 | H47 | H48 | 120.0° | 180.0° |
| C28 | C27 | C30 | N7 | 0.1° | 0.0° |
| C28 | C27 | C30 | N4 | 180.0° | 179.7° |
| C28 | C27 | C30 | N3 | 179.6° | 180.0° |
| C28 | C27 | N4 | C26 | 179.9° | 179.8° |
| C27 | C28 | N5 | H47 | 176.6° | 0.0° |
| C27 | C28 | N5 | H48 | 56.5° | 180.0° |
| N7 | C30 | C27 | N3 | 179.5° | 180.0° |
| N7 | C30 | C27 | N4 | 179.9° | 179.6° |
| N7 | C30 | N3 | C25 | 5.6° | 0.1° |
| N7 | C30 | N3 | C26 | 179.8° | 179.6° |
| C30 | N7 | C29 | H49 | 179.8° | 180.0° |
| C30 | C27 | N4 | C26 | 0.1° | 0.2° |
| C27 | C30 | N3 | C25 | 174.9° | 179.9° |
| C27 | C30 | N3 | C26 | 0.7° | 0.4° |
| N4 | C27 | C30 | N3 | 0.3° | 0.3° |
| C27 | N4 | C26 | N3 | 0.6° | 0.0° |
| C27 | N4 | C26 | H46 | 179.4° | 180.0° |
| C30 | N3 | C26 | N4 | 0.8° | 0.3° |
| C30 | N3 | C25 | C26 | 172.6° | 179.6° |
| C30 | N3 | C25 | C31 | 109.9° | 82.8° |
| C30 | N3 | C25 | O12 | 127.5° | 161.9° |
| C30 | N3 | C25 | H45 | 10.8° | 39.7° |
| C30 | N3 | C26 | H46 | 179.2° | 179.8° |
| O13 | C31 | C25 | N3 | 95.2° | 146.5° |
| O13 | C31 | C25 | C32 | 120.5° | 118.8° |
| O13 | C31 | C25 | H50 | 122.8° | 122.7° |
| O13 | C31 | C32 | H50 | 128.6° | 122.7° |
| O13 | C31 | C25 | O12 | 142.1° | 94.7° |
| O13 | C31 | C32 | O14 | 35.8° | 0.1° |
| O13 | C31 | C32 | C24 | 157.6° | 118.6° |
| O13 | C31 | C25 | H45 | 25.9° | 24.2° |
| O13 | C31 | C32 | H52 | 88.3° | 122.7° |
| N4 | C26 | N3 | C25 | 174.5° | 180.0° |
| N4 | C26 | N3 | H46 | 180.0° | 179.9° |
| N3 | C25 | C31 | O12 | 122.7° | 118.8° |
| N3 | C25 | C31 | H45 | 121.1° | 122.3° |
| N3 | C25 | C31 | C32 | 144.2° | 94.7° |
| N3 | C25 | O12 | H45 | 116.5° | 122.2° |
| N3 | C25 | O12 | C24 | 116.7° | 78.3° |
| C25 | N3 | C26 | H46 | 5.5° | 0.1° |
| N3 | C25 | C31 | H50 | 27.6° | 23.8° |
| C26 | N3 | C25 | C31 | 77.5° | 96.9° |
| C26 | N3 | C25 | O12 | 45.2° | 18.5° |
| C26 | N3 | C25 | H45 | 161.8° | 140.7° |
| O15 | P3 | O14 | O16 | 126.0° | 120.0° |
| O15 | P3 | O14 | O17 | 111.8° | 119.9° |
| O15 | P3 | O16 | O17 | 113.9° | 120.0° |
| O15 | P3 | O14 | C32 | 72.3° | 55.0° |
| O15 | P3 | O16 | H53 | 0.0° | 60.0° |
| O15 | P3 | O17 | H54 | 0.0° | 180.0° |
| C25 | C31 | C32 | H50 | 116.6° | 118.6° |
| C31 | C25 | O12 | H45 | 115.5° | 119.0° |
| C25 | C31 | C32 | O14 | 78.9° | 118.6° |
| C25 | C31 | C32 | C24 | 42.9° | 0.2° |
| C31 | C25 | O12 | C24 | 11.3° | 40.5° |
| C25 | C31 | O13 | H51 | 180.0° | 61.5° |
| C25 | C31 | C32 | H52 | 157.0° | 118.6° |
| C32 | C31 | C25 | O12 | 21.5° | 24.1° |
| C31 | C32 | O14 | P3 | 111.7° | 121.5° |
| C31 | C32 | O14 | C24 | 109.9° | 114.4° |
| C31 | C32 | O14 | H52 | 123.4° | 122.7° |
| C31 | C32 | C24 | H52 | 114.2° | 118.7° |
| C31 | C32 | C24 | O12 | 52.2° | 23.8° |
| C31 | C32 | C24 | C23 | 177.0° | 142.7° |
| C31 | C32 | C24 | H44 | 60.5° | 95.1° |
| C32 | C31 | C25 | H45 | 94.7° | 143.0° |
| C32 | C31 | O13 | H51 | 69.3° | 176.2° |
| C25 | O12 | C24 | C32 | 40.0° | 40.4° |
| C25 | O12 | C24 | C23 | 171.7° | 159.3° |
| C25 | O12 | C24 | H44 | 71.9° | 78.5° |
| O12 | C25 | C31 | H50 | 95.1° | 142.6° |
| O14 | P3 | O16 | O17 | 124.0° | 120.0° |
| P3 | O14 | C32 | C24 | 138.5° | 124.1° |
| P3 | O14 | C32 | H52 | 11.7° | 1.2° |
| O14 | P3 | O16 | H53 | 122.2° | 180.0° |
| O14 | P3 | O17 | H54 | 118.1° | 60.0° |
| O16 | P3 | O14 | C32 | 161.8° | 175.0° |
| O16 | P3 | O17 | H54 | 123.8° | 60.0° |
| O17 | P3 | O14 | C32 | 39.5° | 65.0° |
| O17 | P3 | O16 | H53 | 113.8° | 60.0° |
| O14 | C32 | C24 | H52 | 127.4° | 122.8° |
| O14 | C32 | C24 | O12 | 66.2° | 94.7° |
| O14 | C32 | C24 | C23 | 58.6° | 24.2° |
| O14 | C32 | C24 | H44 | 178.9° | 146.4° |
| O14 | C32 | C31 | H50 | 164.5° | 122.8° |
| C32 | C24 | O12 | C23 | 131.7° | 118.9° |
| C32 | C24 | O12 | H44 | 111.8° | 118.9° |
| C32 | C24 | C23 | H44 | 122.3° | 122.2° |
| C32 | C24 | C23 | O11 | 56.1° | 176.5° |
| C32 | C24 | C23 | H42 | 175.8° | 56.5° |
| C32 | C24 | C23 | H43 | 63.6° | 63.5° |
| C24 | C32 | C31 | H50 | 73.8° | 118.8° |
| O12 | C24 | C23 | H44 | 116.9° | 122.3° |
| O12 | C24 | C23 | O11 | 176.8° | 67.9° |
| O12 | C24 | C23 | H42 | 63.5° | 172.0° |
| O12 | C24 | C23 | H43 | 57.1° | 52.0° |
| C24 | O12 | C25 | H45 | 126.8° | 159.5° |
| O12 | C24 | C32 | H52 | 166.4° | 142.5° |
| C24 | C23 | O11 | H42 | 119.7° | 120.0° |
| C24 | C23 | O11 | H43 | 119.7° | 120.0° |
| C24 | C23 | O11 | P2 | 159.3° | 180.0° |
| C24 | C23 | H42 | H43 | 120.9° | 120.0° |
| C23 | C24 | C32 | H52 | 68.8° | 98.6° |
| C23 | O11 | P2 | O10 | 94.4° | 55.0° |
| C23 | O11 | P2 | O9 | 143.3° | 65.0° |
| C23 | O11 | P2 | O8 | 19.1° | 175.0° |
| O11 | C23 | H42 | H43 | 120.9° | 120.0° |
| O11 | C23 | C24 | H44 | 66.3° | 54.3° |
| O11 | P2 | O10 | O9 | 121.0° | 120.0° |
| O11 | P2 | O10 | O8 | 108.8° | 120.0° |
| O11 | P2 | O9 | O8 | 115.5° | 120.0° |
| O11 | P2 | O8 | P1 | 128.3° | 160.0° |
| O11 | P2 | O9 | H41 | 118.2° | 60.0° |
| P2 | O11 | C23 | H42 | 39.6° | 60.0° |
| P2 | O11 | C23 | H43 | 81.0° | 60.0° |
| O10 | P2 | O9 | O8 | 126.4° | 120.0° |
| O10 | P2 | O8 | P1 | 120.3° | 40.0° |
| O10 | P2 | O9 | H41 | 0.0° | 180.0° |
| O9 | P2 | O8 | P1 | 8.1° | 80.0° |
| P2 | O8 | P1 | O7 | 170.0° | 40.0° |
| P2 | O8 | P1 | O6 | 28.7° | 80.0° |
| P2 | O8 | P1 | O5 | 72.9° | 160.0° |
| O8 | P2 | O9 | H41 | 126.4° | 60.0° |
| O8 | P1 | O7 | O6 | 132.4° | 120.0° |
| O8 | P1 | O7 | O5 | 113.1° | 119.9° |
| O8 | P1 | O6 | O5 | 106.9° | 120.0° |
| O8 | P1 | O5 | C22 | 77.4° | 175.1° |
| O8 | P1 | O6 | H40 | 132.3° | 60.0° |
| O7 | P1 | O6 | O5 | 120.7° | 120.0° |
| O7 | P1 | O5 | C22 | 38.7° | 55.1° |
| O7 | P1 | O6 | H40 | 0.0° | 179.9° |
| O6 | P1 | O5 | C22 | 171.5° | 65.0° |
| P1 | O5 | C22 | C19 | 157.2° | 180.0° |
| P1 | O5 | C22 | H38 | 37.3° | 59.9° |
| P1 | O5 | C22 | H39 | 82.9° | 60.1° |
| O5 | P1 | O6 | H40 | 120.7° | 59.9° |
| O4 | C18 | C19 | C22 | 58.2° | 54.2° |
| O4 | C18 | C19 | C17 | 124.7° | 120.0° |
| O4 | C18 | C19 | H30 | 116.0° | 120.0° |
| O4 | C18 | C17 | H30 | 119.1° | 120.0° |
| O4 | C18 | C17 | N2 | 0.3° | 7.6° |
| O4 | C18 | C19 | C21 | 55.5° | 65.8° |
| O4 | C18 | C19 | C20 | 178.5° | 174.2° |
| O4 | C18 | C17 | O3 | 179.5° | 172.4° |
| O5 | C22 | C19 | H38 | 119.9° | 120.1° |
| O5 | C22 | C19 | H39 | 119.9° | 119.9° |
| O5 | C22 | C19 | C18 | 59.3° | 179.9° |
| O5 | C22 | C19 | C21 | 178.6° | 60.0° |
| O5 | C22 | C19 | C20 | 64.1° | 59.9° |
| O5 | C22 | H38 | H39 | 120.3° | 119.9° |
| C22 | C19 | C18 | C21 | 113.7° | 120.0° |
| C22 | C19 | C18 | C20 | 123.3° | 120.0° |
| C22 | C19 | C18 | C17 | 177.0° | 174.2° |
| C22 | C19 | C21 | C20 | 118.0° | 120.0° |
| C22 | C19 | C18 | H30 | 57.8° | 65.8° |
| C22 | C19 | C20 | H32 | 180.0° | 174.1° |
| C22 | C19 | C20 | H33 | 60.0° | 54.1° |
| C22 | C19 | C20 | H34 | 60.0° | 65.9° |
| C22 | C19 | C21 | H35 | 180.0° | 60.0° |
| C22 | C19 | C21 | H36 | 60.0° | 60.0° |
| C22 | C19 | C21 | H37 | 60.0° | 180.0° |
| C19 | C22 | H38 | H39 | 120.3° | 120.0° |
| C19 | C18 | C17 | H30 | 119.0° | 120.0° |
| C19 | C18 | C17 | N2 | 122.2° | 112.3° |
| C18 | C19 | C21 | C20 | 123.8° | 120.0° |
| C19 | C18 | C17 | O3 | 58.6° | 67.6° |
| C19 | C18 | O4 | H31 | 120.8° | 60.0° |
| C18 | C19 | C20 | H32 | 57.1° | 65.9° |
| C18 | C19 | C20 | H33 | 177.1° | 174.1° |
| C18 | C19 | C20 | H34 | 62.9° | 54.1° |
| C18 | C19 | C21 | H35 | 61.8° | 60.0° |
| C18 | C19 | C21 | H36 | 58.2° | 180.0° |
| C18 | C19 | C21 | H37 | 178.2° | 59.9° |
| C18 | C19 | C22 | H38 | 60.6° | 60.0° |
| C18 | C19 | C22 | H39 | 179.2° | 60.0° |
| C18 | C17 | N2 | O3 | 179.2° | 180.0° |
| C18 | C17 | N2 | C16 | 177.6° | 175.2° |
| C17 | C18 | C19 | C21 | 69.3° | 54.2° |
| C17 | C18 | C19 | C20 | 53.8° | 65.8° |
| C18 | C17 | N2 | H19 | 2.4° | 4.8° |
| C17 | C18 | O4 | H31 | 112.4° | 60.0° |
| C17 | N2 | C16 | H19 | 180.0° | 179.9° |
| C17 | N2 | C16 | C15 | 83.3° | 180.0° |
| C17 | N2 | C16 | H28 | 37.3° | 60.1° |
| C17 | N2 | C16 | H29 | 156.0° | 59.9° |
| N2 | C17 | C18 | H30 | 118.8° | 127.7° |
| C16 | N2 | C17 | O3 | 1.6° | 4.7° |
| N2 | C16 | C15 | H28 | 120.6° | 119.9° |
| N2 | C16 | C15 | H29 | 120.6° | 120.0° |
| N2 | C16 | C15 | C14 | 18.5° | 179.9° |
| N2 | C16 | C15 | H26 | 102.5° | 60.0° |
| N2 | C16 | C15 | H27 | 139.5° | 60.1° |
| N2 | C16 | H28 | H29 | 118.1° | 120.0° |
| C21 | C19 | C18 | H30 | 171.5° | 174.2° |
| C21 | C19 | C20 | H32 | 67.0° | 54.1° |
| C21 | C19 | C20 | H33 | 53.0° | 65.9° |
| C21 | C19 | C20 | H34 | 173.0° | 174.1° |
| C19 | C21 | H35 | H36 | 120.0° | 120.0° |
| C19 | C21 | H35 | H37 | 120.0° | 120.0° |
| C19 | C21 | H36 | H37 | 120.0° | 120.0° |
| C21 | C19 | C22 | H38 | 58.7° | 60.0° |
| C21 | C19 | C22 | H39 | 61.6° | 180.0° |
| C20 | C19 | C18 | H30 | 65.4° | 54.2° |
| C19 | C20 | H32 | H33 | 120.0° | 120.0° |
| C19 | C20 | H32 | H34 | 120.0° | 120.0° |
| C19 | C20 | H33 | H34 | 120.0° | 120.0° |
| C20 | C19 | C21 | H35 | 62.0° | 180.0° |
| C20 | C19 | C21 | H36 | 178.1° | 60.1° |
| C20 | C19 | C21 | H37 | 58.0° | 60.0° |
| C20 | C19 | C22 | H38 | 176.0° | 180.0° |
| C20 | C19 | C22 | H39 | 55.8° | 60.0° |
| O3 | C17 | N2 | H19 | 178.4° | 175.2° |
| O3 | C17 | C18 | H30 | 60.4° | 52.4° |
| C16 | C15 | C14 | O2 | 59.6° | 0.0° |
| C16 | C15 | C14 | H26 | 121.0° | 119.9° |
| C16 | C15 | C14 | H27 | 121.0° | 120.0° |
| C16 | C15 | C14 | N1 | 121.2° | 180.0° |
| C15 | C16 | N2 | H19 | 96.7° | 0.1° |
| C16 | C15 | H26 | H27 | 116.9° | 120.0° |
| C15 | C16 | H28 | H29 | 118.1° | 120.1° |
| O2 | C14 | C15 | N1 | 179.2° | 179.9° |
| O2 | C14 | N1 | C13 | 0.8° | 0.0° |
| O2 | C14 | N1 | H18 | 179.1° | 180.0° |
| O2 | C14 | C15 | H26 | 179.4° | 120.0° |
| O2 | C14 | C15 | H27 | 61.4° | 119.9° |
| C3 | C2 | C1 | H24 | 121.1° | 120.1° |
| C3 | C2 | C1 | H25 | 121.1° | 119.9° |
| C2 | C3 | C4 | H20 | 121.1° | 120.0° |
| C2 | C3 | C4 | H56 | 121.1° | 119.9° |
| C2 | C3 | C4 | C5 | 172.5° | 180.0° |
| C2 | C3 | C4 | H1 | 51.3° | 60.0° |
| C2 | C3 | H20 | H56 | 116.6° | 120.0° |
| C3 | C2 | C1 | H21 | 180.0° | 180.0° |
| C3 | C2 | C1 | H22 | 60.0° | 59.9° |
| C3 | C2 | C1 | H23 | 60.0° | 60.1° |
| C3 | C2 | H24 | H25 | 116.4° | 119.9° |
| C2 | C3 | C4 | H55 | 66.3° | 60.1° |
| C1 | C2 | C3 | C4 | 76.4° | 180.0° |
| C1 | C2 | C3 | H20 | 162.5° | 59.9° |
| C2 | C1 | H21 | H22 | 120.0° | 120.1° |
| C2 | C1 | H21 | H23 | 120.0° | 119.9° |
| C2 | C1 | H22 | H23 | 120.0° | 119.9° |
| C1 | C2 | H24 | H25 | 116.4° | 120.0° |
| C1 | C2 | C3 | H56 | 44.7° | 60.1° |
| C3 | C4 | C5 | H1 | 121.2° | 120.0° |
| C3 | C4 | C5 | H55 | 121.2° | 120.0° |
| C3 | C4 | C5 | C6 | 160.6° | 180.0° |
| C3 | C4 | H1 | H55 | 116.1° | 120.1° |
| C3 | C4 | C5 | H2 | 39.9° | 60.0° |
| C3 | C4 | C5 | H3 | 78.7° | 59.9° |
| C4 | C3 | H20 | H56 | 116.6° | 120.0° |
| C4 | C3 | C2 | H24 | 162.5° | 59.9° |
| C4 | C3 | C2 | H25 | 44.8° | 60.0° |
| C15 | C14 | N1 | C13 | 178.4° | 180.0° |
| C15 | C14 | N1 | H18 | 1.7° | 0.1° |
| C14 | C15 | H26 | H27 | 116.9° | 120.1° |
| C14 | C15 | C16 | H28 | 139.1° | 60.0° |
| C14 | C15 | C16 | H29 | 102.1° | 60.0° |
| C14 | N1 | C13 | H18 | 180.0° | 180.0° |
| C14 | N1 | C13 | C12 | 70.3° | 180.0° |
| C14 | N1 | C13 | H16 | 50.2° | 60.0° |
| C14 | N1 | C13 | H17 | 169.3° | 60.0° |
| N1 | C14 | C15 | H26 | 0.2° | 60.1° |
| N1 | C14 | C15 | H27 | 117.8° | 60.0° |
| C4 | C5 | C6 | H2 | 120.7° | 120.0° |
| C4 | C5 | C6 | H3 | 120.7° | 120.1° |
| C4 | C5 | C6 | C7 | 153.8° | 180.0° |
| C5 | C4 | H1 | H55 | 116.1° | 119.9° |
| C4 | C5 | H2 | H3 | 117.8° | 120.0° |
| C4 | C5 | C6 | H4 | 85.5° | 60.0° |
| C4 | C5 | C6 | H5 | 33.0° | 59.9° |
| C5 | C4 | C3 | H20 | 66.4° | 60.0° |
| C5 | C4 | C3 | H56 | 51.5° | 60.0° |
| N1 | C13 | C12 | H16 | 120.5° | 120.0° |
| N1 | C13 | C12 | H17 | 120.5° | 119.9° |
| N1 | C13 | C12 | S1 | 172.0° | 180.0° |
| N1 | C13 | C12 | H14 | 66.8° | 60.0° |
| N1 | C13 | C12 | H15 | 50.8° | 60.0° |
| N1 | C13 | H16 | H17 | 118.5° | 119.9° |
| C13 | C12 | S1 | H14 | 121.1° | 120.0° |
| C13 | C12 | S1 | H15 | 121.2° | 120.0° |
| C13 | C12 | S1 | C11 | 94.5° | 180.0° |
| C13 | C12 | H14 | H15 | 116.3° | 120.0° |
| C12 | C13 | H16 | H17 | 118.5° | 120.1° |
| C12 | C13 | N1 | H18 | 109.8° | 0.0° |
| C5 | C6 | C7 | H4 | 120.7° | 120.0° |
| C5 | C6 | C7 | H5 | 120.7° | 120.1° |
| C5 | C6 | C7 | C8 | 162.5° | 180.0° |
| C6 | C5 | C4 | H1 | 78.2° | 60.0° |
| C6 | C5 | H2 | H3 | 117.9° | 120.0° |
| C5 | C6 | H4 | H5 | 117.7° | 120.0° |
| C5 | C6 | C7 | H6 | 76.5° | 60.0° |
| C5 | C6 | C7 | H7 | 41.4° | 60.0° |
| C6 | C5 | C4 | H55 | 39.4° | 60.0° |
| C12 | S1 | C11 | C9 | 167.2° | 180.0° |
| C12 | S1 | C11 | O1 | 11.1° | 0.0° |
| S1 | C12 | H14 | H15 | 116.3° | 120.0° |
| S1 | C12 | C13 | H16 | 51.5° | 60.0° |
| S1 | C12 | C13 | H17 | 67.6° | 60.1° |
| S1 | C11 | C9 | C8 | 40.8° | 180.0° |
| S1 | C11 | C9 | O1 | 178.4° | 180.0° |
| S1 | C11 | C9 | C10 | 167.7° | 60.0° |
| S1 | C11 | C9 | H10 | 77.9° | 60.0° |
| C11 | S1 | C12 | H14 | 26.7° | 60.0° |
| C11 | S1 | C12 | H15 | 144.4° | 60.0° |
| C6 | C7 | C8 | H6 | 121.0° | 120.0° |
| C6 | C7 | C8 | H7 | 121.0° | 120.0° |
| C6 | C7 | C8 | C9 | 35.2° | NaN° |
| C7 | C6 | C5 | H2 | 33.1° | 60.0° |
| C7 | C6 | C5 | H3 | 85.6° | 59.9° |
| C7 | C6 | H4 | H5 | 117.7° | 120.0° |
| C6 | C7 | H6 | H7 | 116.8° | 119.9° |
| C6 | C7 | C8 | H8 | 156.6° | 60.0° |
| C6 | C7 | C8 | H9 | 86.1° | 60.0° |
| C7 | C8 | C9 | H8 | 121.3° | 120.0° |
| C7 | C8 | C9 | H9 | 121.3° | 120.0° |
| C7 | C8 | C9 | C11 | 97.5° | 175.0° |
| C7 | C8 | C9 | C10 | 138.4° | 65.0° |
| C8 | C7 | C6 | H4 | 41.7° | 60.0° |
| C8 | C7 | C6 | H5 | 76.8° | 59.9° |
| C8 | C7 | H6 | H7 | 116.8° | 120.0° |
| C7 | C8 | H8 | H9 | 115.8° | 120.1° |
| C7 | C8 | C9 | H10 | 21.2° | 55.0° |
| C8 | C9 | C11 | C10 | 126.9° | 120.0° |
| C8 | C9 | C11 | H10 | 118.6° | 120.0° |
| C8 | C9 | C11 | O1 | 140.8° | 0.0° |
| C8 | C9 | C10 | H10 | 117.1° | 120.0° |
| C9 | C8 | C7 | H6 | 85.8° | 60.0° |
| C9 | C8 | C7 | H7 | 156.3° | 60.0° |
| C9 | C8 | H8 | H9 | 115.7° | 120.0° |
| C8 | C9 | C10 | H11 | 180.0° | 60.0° |
| C8 | C9 | C10 | H12 | 60.0° | 179.9° |
| C8 | C9 | C10 | H13 | 60.0° | 60.0° |
| C11 | C9 | C10 | H10 | 114.6° | 120.0° |
| C11 | C9 | C8 | H8 | 23.8° | 55.0° |
| C11 | C9 | C8 | H9 | 141.1° | 65.0° |
| C11 | C9 | C10 | H11 | 51.7° | 180.0° |
| C11 | C9 | C10 | H12 | 68.3° | 60.0° |
| C11 | C9 | C10 | H13 | 171.7° | 60.0° |
| O1 | C11 | C9 | C10 | 13.9° | 120.0° |
| O1 | C11 | C9 | H10 | 100.5° | 120.0° |
| C10 | C9 | C8 | H8 | 100.3° | 175.0° |
| C10 | C9 | C8 | H9 | 17.0° | 55.0° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| C9 | C10 | H11 | H13 | 120.0° | 120.0° |
| C9 | C10 | H12 | H13 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 161.1° | 60.0° |
| H1 | C4 | C5 | H3 | 42.6° | 180.0° |
| H1 | C4 | C3 | H20 | 172.4° | 180.0° |
| H1 | C4 | C3 | H56 | 69.7° | 60.0° |
| H2 | C5 | C6 | H4 | 153.8° | 180.0° |
| H2 | C5 | C6 | H5 | 87.7° | 60.1° |
| H2 | C5 | C4 | H55 | 81.3° | 180.0° |
| H3 | C5 | C6 | H4 | 35.2° | 60.0° |
| H3 | C5 | C6 | H5 | 153.7° | NaN° |
| H3 | C5 | C4 | H55 | 160.1° | 60.1° |
| H4 | C6 | C7 | H6 | 162.7° | 180.0° |
| H4 | C6 | C7 | H7 | 79.3° | 60.1° |
| H5 | C6 | C7 | H6 | 44.2° | 60.1° |
| H5 | C6 | C7 | H7 | 162.2° | 180.0° |
| H6 | C7 | C8 | H8 | 35.5° | 179.9° |
| H6 | C7 | C8 | H9 | 152.9° | 60.0° |
| H7 | C7 | C8 | H8 | 82.4° | 59.9° |
| H7 | C7 | C8 | H9 | 34.9° | 180.0° |
| H8 | C8 | C9 | H10 | 142.5° | 65.0° |
| H9 | C8 | C9 | H10 | 100.1° | 175.0° |
| H10 | C9 | C10 | H11 | 62.9° | 60.0° |
| H10 | C9 | C10 | H12 | 177.1° | 60.0° |
| H10 | C9 | C10 | H13 | 57.1° | 180.0° |
| H11 | C10 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | C13 | H16 | 172.7° | 60.0° |
| H14 | C12 | C13 | H17 | 53.6° | 179.9° |
| H15 | C12 | C13 | H16 | 69.7° | 180.0° |
| H15 | C12 | C13 | H17 | 171.3° | 60.0° |
| H16 | C13 | N1 | H18 | 129.8° | 120.0° |
| H17 | C13 | N1 | H18 | 10.7° | 120.0° |
| H19 | N2 | C16 | H28 | 142.7° | 120.0° |
| H19 | N2 | C16 | H29 | 24.0° | 120.0° |
| H20 | C3 | C2 | H24 | 41.4° | 180.0° |
| H20 | C3 | C2 | H25 | 76.3° | 60.0° |
| H20 | C3 | C4 | H55 | 54.8° | 60.0° |
| H21 | C1 | H22 | H23 | 120.0° | 120.0° |
| H21 | C1 | C2 | H24 | 58.9° | 59.9° |
| H21 | C1 | C2 | H25 | 58.9° | 60.1° |
| H22 | C1 | C2 | H24 | 178.9° | 180.0° |
| H22 | C1 | C2 | H25 | 61.1° | 60.0° |
| H23 | C1 | C2 | H24 | 61.2° | 60.0° |
| H23 | C1 | C2 | H25 | 178.9° | 180.0° |
| H24 | C2 | C3 | H56 | 76.4° | 60.0° |
| H25 | C2 | C3 | H56 | 165.8° | 180.0° |
| H26 | C15 | C16 | H28 | 18.1° | 60.0° |
| H26 | C15 | C16 | H29 | 136.9° | 180.0° |
| H27 | C15 | C16 | H28 | 99.9° | 180.0° |
| H27 | C15 | C16 | H29 | 18.9° | 60.0° |
| H30 | C18 | O4 | H31 | 5.9° | 180.0° |
| H32 | C20 | H33 | H34 | 119.9° | 120.1° |
| H35 | C21 | H36 | H37 | 120.0° | 120.0° |
| H42 | C23 | C24 | H44 | 53.5° | 65.7° |
| H43 | C23 | C24 | H44 | 174.0° | 174.3° |
| H44 | C24 | C32 | H52 | 53.7° | 23.6° |
| H45 | C25 | C31 | H50 | 148.7° | 98.5° |
| H50 | C31 | O13 | H51 | 58.4° | 61.2° |
| H50 | C31 | C32 | H52 | 40.3° | 0.0° |
| H55 | C4 | C3 | H56 | 172.7° | 180.0° |
