A1AR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA9 | CA9 | doub | 1.21Å | 1.21Å | |
| CM9 | CA9 | sing | 1.51Å | 1.49Å | |
| O1B1 | C12 | doub | 1.21Å | 1.22Å | |
| O62 | C62 | sing | 1.43Å | 1.43Å | |
| CA9 | O9 | sing | 1.34Å | 1.34Å | |
| O42 | C42 | sing | 1.43Å | 1.43Å | |
| C62 | C52 | sing | 1.53Å | 1.54Å | |
| C12 | O1A1 | sing | 1.34Å | 1.22Å | |
| C12 | C21 | sing | 1.51Å | 1.59Å | |
| C42 | C52 | sing | 1.53Å | 1.55Å | |
| C42 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C41 | sing | 1.53Å | 1.52Å | |
| C31 | C21 | sing | 1.53Å | 1.53Å | |
| O9 | C9 | sing | 1.45Å | 1.43Å | |
| O41 | C41 | sing | 1.43Å | 1.41Å | |
| O3 | C21 | sing | 1.43Å | 1.43Å | |
| O3 | C32 | sing | 1.43Å | 1.43Å | |
| C41 | C51 | sing | 1.53Å | 1.54Å | |
| C21 | O61 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C52 | O5 | sing | 1.43Å | 1.44Å | |
| C32 | C22 | sing | 1.53Å | 1.53Å | |
| O8 | C8 | sing | 1.43Å | 1.43Å | |
| O5 | C13 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| O61 | C61 | sing | 1.43Å | 1.43Å | |
| C51 | N51 | sing | 1.47Å | 1.45Å | |
| C51 | C61 | sing | 1.53Å | 1.53Å | |
| C22 | C13 | sing | 1.53Å | 1.55Å | |
| C22 | O2 | sing | 1.43Å | 1.43Å | |
| N51 | C101 | sing | 1.35Å | 1.34Å | |
| C61 | C71 | sing | 1.53Å | 1.52Å | |
| O1B | C1 | doub | 1.21Å | 1.23Å | |
| C13 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C111 | C101 | sing | 1.51Å | 1.51Å | |
| C101 | O101 | doub | 1.21Å | 1.21Å | |
| C1 | O1A | sing | 1.34Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C71 | C81 | sing | 1.53Å | 1.53Å | |
| C71 | O71 | sing | 1.43Å | 1.41Å | |
| C81 | C91 | sing | 1.53Å | 1.53Å | |
| C81 | O81 | sing | 1.43Å | 1.43Å | |
| O6 | C2 | sing | 1.43Å | 1.43Å | |
| C91 | O91 | sing | 1.43Å | 1.41Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| O10 | C10 | doub | 1.21Å | 1.21Å | |
| C10 | N5 | sing | 1.35Å | 1.35Å | |
| C2 | O81 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| N5 | C5 | sing | 1.47Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.41Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C41 | H18 | sing | 1.09Å | 1.10Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C51 | H20 | sing | 1.09Å | 1.10Å | |
| C52 | H21 | sing | 1.09Å | 1.10Å | |
| C61 | H22 | sing | 1.09Å | 1.10Å | |
| C62 | H23 | sing | 1.09Å | 1.10Å | |
| C62 | H24 | sing | 1.09Å | 1.10Å | |
| C71 | H25 | sing | 1.09Å | 1.10Å | |
| C81 | H26 | sing | 1.09Å | 1.10Å | |
| C91 | H27 | sing | 1.09Å | 1.10Å | |
| C91 | H28 | sing | 1.09Å | 1.10Å | |
| CM9 | H29 | sing | 1.09Å | 1.10Å | |
| CM9 | H30 | sing | 1.09Å | 1.10Å | |
| CM9 | H31 | sing | 1.09Å | 1.10Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N51 | H33 | sing | 0.97Å | 1.00Å | |
| O1 | H34 | sing | 0.97Å | 0.95Å | |
| O1A | H35 | sing | 0.97Å | 0.95Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å | |
| O41 | H38 | sing | 0.97Å | 0.95Å | |
| O42 | H39 | sing | 0.97Å | 0.95Å | |
| O62 | H40 | sing | 0.97Å | 0.95Å | |
| O7 | H41 | sing | 0.97Å | 0.95Å | |
| O71 | H42 | sing | 0.97Å | 0.95Å | |
| O8 | H43 | sing | 0.97Å | 0.95Å | |
| O91 | H44 | sing | 0.97Å | 0.95Å | |
| C111 | H45 | sing | 1.09Å | 1.10Å | |
| C111 | H46 | sing | 1.09Å | 1.10Å | |
| C111 | H47 | sing | 1.09Å | 1.10Å | |
| O1A1 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA9 | CA9 | CM9 | 124.0° | 120.0° |
| OA9 | CA9 | O9 | 124.7° | 120.0° |
| CM9 | CA9 | O9 | 111.2° | 120.0° |
| CA9 | CM9 | H29 | 109.5° | 109.5° |
| CA9 | CM9 | H30 | 109.5° | 109.5° |
| CA9 | CM9 | H31 | 109.5° | 109.5° |
| O1B1 | C12 | O1A1 | 121.9° | 120.0° |
| O1B1 | C12 | C21 | 118.7° | 120.0° |
| O62 | C62 | C52 | 109.9° | 109.5° |
| O62 | C62 | H23 | 109.3° | 109.5° |
| O62 | C62 | H24 | 109.4° | 109.5° |
| C62 | O62 | H40 | 109.5° | 114.0° |
| CA9 | O9 | C9 | 118.7° | 117.0° |
| O42 | C42 | C52 | 112.4° | 109.5° |
| O42 | C42 | C32 | 108.1° | 109.5° |
| O42 | C42 | H19 | 110.5° | 109.6° |
| C42 | O42 | H39 | 109.5° | 114.0° |
| C62 | C52 | C42 | 113.2° | 109.5° |
| C62 | C52 | O5 | 109.4° | 109.5° |
| C62 | C52 | H21 | 108.3° | 109.5° |
| C52 | C62 | H23 | 109.4° | 109.5° |
| C52 | C62 | H24 | 109.4° | 109.5° |
| O1A1 | C12 | C21 | 117.7° | 120.0° |
| C12 | O1A1 | H48 | 109.5° | 117.0° |
| C12 | C21 | C31 | 115.4° | 109.5° |
| C12 | C21 | O3 | 112.1° | 109.5° |
| C12 | C21 | O61 | 112.7° | 109.5° |
| C52 | C42 | C32 | 107.6° | 109.2° |
| C42 | C52 | O5 | 108.1° | 109.4° |
| C52 | C42 | H19 | 108.9° | 109.5° |
| C42 | C52 | H21 | 108.2° | 109.5° |
| C42 | C32 | O3 | 108.4° | 109.7° |
| C42 | C32 | C22 | 111.7° | 109.1° |
| C42 | C32 | H17 | 109.4° | 109.5° |
| C32 | C42 | H19 | 109.2° | 109.5° |
| C41 | C31 | C21 | 112.9° | 109.1° |
| C31 | C41 | O41 | 107.7° | 109.5° |
| C31 | C41 | C51 | 112.4° | 109.0° |
| C41 | C31 | H15 | 108.6° | 109.6° |
| C41 | C31 | H16 | 108.6° | 109.5° |
| C31 | C41 | H18 | 108.5° | 109.6° |
| C31 | C21 | O3 | 103.9° | 109.5° |
| C31 | C21 | O61 | 105.9° | 109.4° |
| C21 | C31 | H15 | 108.6° | 109.5° |
| C21 | C31 | H16 | 108.6° | 109.5° |
| O9 | C9 | C8 | 109.2° | 109.5° |
| O9 | C9 | H9 | 109.6° | 109.5° |
| O9 | C9 | H10 | 109.5° | 109.5° |
| O41 | C41 | C51 | 110.2° | 109.6° |
| O41 | C41 | H18 | 109.9° | 109.6° |
| C41 | O41 | H38 | 109.5° | 114.0° |
| C21 | O3 | C32 | 116.9° | 114.0° |
| O3 | C21 | O61 | 106.0° | 109.5° |
| O3 | C32 | C22 | 107.5° | 109.6° |
| O3 | C32 | H17 | 110.7° | 109.5° |
| C41 | C51 | N51 | 111.5° | 109.5° |
| C41 | C51 | C61 | 109.3° | 109.2° |
| C51 | C41 | H18 | 108.2° | 109.5° |
| C41 | C51 | H20 | 108.5° | 109.5° |
| C21 | O61 | C61 | 113.8° | 114.1° |
| C9 | C8 | O8 | 110.0° | 109.5° |
| C9 | C8 | C7 | 112.5° | 109.5° |
| C9 | C8 | H4 | 107.5° | 109.4° |
| C8 | C9 | H9 | 109.6° | 109.5° |
| C8 | C9 | H10 | 109.6° | 109.5° |
| C52 | O5 | C13 | 114.1° | 114.1° |
| O5 | C52 | H21 | 109.6° | 109.5° |
| C32 | C22 | C13 | 109.9° | 109.2° |
| C32 | C22 | O2 | 107.2° | 109.6° |
| C32 | C22 | H1 | 108.6° | 109.6° |
| C22 | C32 | H17 | 109.2° | 109.5° |
| O8 | C8 | C7 | 110.2° | 109.5° |
| O8 | C8 | H4 | 109.0° | 109.5° |
| C8 | O8 | H43 | 109.5° | 114.0° |
| O5 | C13 | C22 | 108.3° | 109.4° |
| O5 | C13 | O1 | 105.0° | 109.5° |
| O5 | C13 | H8 | 111.2° | 109.5° |
| C8 | C7 | O7 | 110.7° | 109.5° |
| C8 | C7 | C6 | 109.5° | 109.5° |
| C8 | C7 | H3 | 108.2° | 109.5° |
| C7 | C8 | H4 | 107.5° | 109.5° |
| O61 | C61 | C51 | 107.8° | 109.4° |
| O61 | C61 | C71 | 106.2° | 109.5° |
| O61 | C61 | H22 | 110.4° | 109.5° |
| N51 | C51 | C61 | 109.1° | 109.5° |
| C51 | N51 | C101 | 126.1° | 120.0° |
| N51 | C51 | H20 | 109.6° | 109.5° |
| C51 | N51 | H33 | 117.0° | 119.9° |
| C51 | C61 | C71 | 114.4° | 109.5° |
| C61 | C51 | H20 | 108.7° | 109.6° |
| C51 | C61 | H22 | 109.0° | 109.5° |
| C13 | C22 | O2 | 112.6° | 109.5° |
| C22 | C13 | O1 | 111.4° | 109.5° |
| C13 | C22 | H1 | 108.4° | 109.5° |
| C22 | C13 | H8 | 109.4° | 109.5° |
| O2 | C22 | H1 | 110.0° | 109.5° |
| C22 | O2 | H36 | 109.5° | 114.0° |
| N51 | C101 | C111 | 118.1° | 120.0° |
| N51 | C101 | O101 | 118.8° | 120.0° |
| C101 | N51 | H33 | 117.0° | 120.0° |
| C61 | C71 | C81 | 110.4° | 109.5° |
| C61 | C71 | O71 | 109.1° | 109.5° |
| C71 | C61 | H22 | 109.1° | 109.5° |
| C61 | C71 | H25 | 108.6° | 109.5° |
| O1B | C1 | O1A | 121.4° | 120.0° |
| O1B | C1 | C2 | 120.4° | 120.0° |
| O1 | C13 | H8 | 111.5° | 109.5° |
| C13 | O1 | H34 | 109.5° | 114.0° |
| O7 | C7 | C6 | 110.3° | 109.4° |
| O7 | C7 | H3 | 109.8° | 109.5° |
| C7 | O7 | H41 | 109.5° | 114.0° |
| C7 | C6 | O6 | 108.1° | 109.5° |
| C7 | C6 | C5 | 117.1° | 109.5° |
| C7 | C6 | H2 | 107.8° | 109.5° |
| C6 | C7 | H3 | 108.3° | 109.5° |
| C111 | C101 | O101 | 122.9° | 120.0° |
| C101 | C111 | H45 | 109.5° | 109.5° |
| C101 | C111 | H46 | 109.5° | 109.4° |
| C101 | C111 | H47 | 109.4° | 109.5° |
| O1A | C1 | C2 | 117.2° | 120.0° |
| C1 | O1A | H35 | 109.5° | 117.1° |
| C1 | C2 | O6 | 113.8° | 109.5° |
| C1 | C2 | O81 | 111.8° | 109.5° |
| C1 | C2 | C3 | 113.6° | 109.5° |
| O6 | C6 | C5 | 106.7° | 109.4° |
| C6 | O6 | C2 | 114.8° | 114.1° |
| O6 | C6 | H2 | 109.1° | 109.5° |
| C6 | C5 | N5 | 111.6° | 109.5° |
| C6 | C5 | C4 | 106.4° | 109.2° |
| C5 | C6 | H2 | 107.9° | 109.5° |
| C6 | C5 | H11 | 109.6° | 109.5° |
| C81 | C71 | O71 | 110.1° | 109.5° |
| C71 | C81 | C91 | 115.2° | 109.5° |
| C71 | C81 | O81 | 108.5° | 109.5° |
| C81 | C71 | H25 | 108.5° | 109.5° |
| C71 | C81 | H26 | 108.4° | 109.5° |
| O71 | C71 | H25 | 110.2° | 109.5° |
| C71 | O71 | H42 | 109.5° | 114.0° |
| C91 | C81 | O81 | 106.3° | 109.5° |
| C81 | C91 | O91 | 107.3° | 109.5° |
| C91 | C81 | H26 | 108.5° | 109.5° |
| C81 | C91 | H27 | 110.0° | 109.5° |
| C81 | C91 | H28 | 110.0° | 109.5° |
| C81 | O81 | C2 | 115.9° | 114.0° |
| O81 | C81 | H26 | 109.8° | 109.5° |
| O6 | C2 | O81 | 105.6° | 109.5° |
| O6 | C2 | C3 | 105.3° | 109.4° |
| O91 | C91 | H27 | 110.0° | 109.5° |
| O91 | C91 | H28 | 110.0° | 109.5° |
| C91 | O91 | H44 | 109.5° | 114.0° |
| C11 | C10 | O10 | 123.2° | 120.0° |
| C11 | C10 | N5 | 114.7° | 120.0° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.5° |
| C10 | C11 | H7 | 109.5° | 109.5° |
| O10 | C10 | N5 | 122.1° | 120.1° |
| C10 | N5 | C5 | 126.4° | 120.0° |
| C10 | N5 | H32 | 116.8° | 120.0° |
| O81 | C2 | C3 | 106.0° | 109.5° |
| C2 | C3 | C4 | 110.4° | 109.1° |
| C2 | C3 | H13 | 109.2° | 109.5° |
| C2 | C3 | H14 | 109.2° | 109.5° |
| N5 | C5 | C4 | 109.0° | 109.5° |
| N5 | C5 | H11 | 110.7° | 109.5° |
| C5 | N5 | H32 | 116.8° | 120.0° |
| C5 | C4 | C3 | 111.6° | 109.0° |
| C5 | C4 | O4 | 110.8° | 109.5° |
| C4 | C5 | H11 | 109.4° | 109.6° |
| C5 | C4 | H12 | 107.5° | 109.6° |
| C3 | C4 | O4 | 110.0° | 109.5° |
| C3 | C4 | H12 | 107.6° | 109.6° |
| C4 | C3 | H13 | 109.2° | 109.5° |
| C4 | C3 | H14 | 109.2° | 109.5° |
| O4 | C4 | H12 | 109.1° | 109.6° |
| C4 | O4 | H37 | 109.5° | 114.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.4° | 109.4° |
| H13 | C3 | H14 | 109.4° | 109.6° |
| H15 | C31 | H16 | 109.5° | 109.6° |
| H23 | C62 | H24 | 109.5° | 109.5° |
| H27 | C91 | H28 | 109.5° | 109.5° |
| H29 | CM9 | H30 | 109.5° | 109.5° |
| H29 | CM9 | H31 | 109.4° | 109.4° |
| H30 | CM9 | H31 | 109.5° | 109.5° |
| H45 | C111 | H46 | 109.4° | 109.5° |
| H45 | C111 | H47 | 109.5° | 109.5° |
| H46 | C111 | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA9 | CA9 | CM9 | O9 | 176.6° | 180.0° |
| OA9 | CA9 | O9 | C9 | 7.5° | 0.0° |
| OA9 | CA9 | CM9 | H29 | 0.0° | 120.0° |
| OA9 | CA9 | CM9 | H30 | 120.0° | 0.0° |
| OA9 | CA9 | CM9 | H31 | 120.0° | 120.0° |
| CM9 | CA9 | O9 | C9 | 175.9° | 180.0° |
| CA9 | CM9 | H29 | H30 | 120.0° | 120.0° |
| CA9 | CM9 | H29 | H31 | 120.0° | 120.0° |
| CA9 | CM9 | H30 | H31 | 120.0° | 120.0° |
| O1B1 | C12 | O1A1 | C21 | 164.6° | 180.0° |
| O1B1 | C12 | C21 | C31 | 15.0° | 125.0° |
| O1B1 | C12 | C21 | O3 | 103.7° | 5.0° |
| O1B1 | C12 | C21 | O61 | 136.7° | 115.0° |
| O1B1 | C12 | O1A1 | H48 | 0.0° | 0.0° |
| O62 | C62 | C52 | H23 | 120.0° | 120.0° |
| O62 | C62 | C52 | H24 | 120.0° | 120.0° |
| O62 | C62 | C52 | C42 | 65.7° | 175.0° |
| O62 | C62 | C52 | O5 | 173.7° | 65.0° |
| O62 | C62 | C52 | H21 | 54.3° | 55.0° |
| O62 | C62 | H23 | H24 | 119.8° | 120.0° |
| CA9 | O9 | C9 | C8 | 168.6° | 180.0° |
| CA9 | O9 | C9 | H9 | 71.4° | 60.0° |
| CA9 | O9 | C9 | H10 | 48.6° | 60.0° |
| O9 | CA9 | CM9 | H29 | 176.6° | 60.0° |
| O9 | CA9 | CM9 | H30 | 63.4° | 180.0° |
| O9 | CA9 | CM9 | H31 | 56.6° | 60.0° |
| O42 | C42 | C52 | C62 | 61.4° | 57.7° |
| O42 | C42 | C52 | C32 | 119.0° | 119.9° |
| O42 | C42 | C52 | H19 | 122.8° | 120.2° |
| O42 | C42 | C32 | H19 | 120.2° | 120.2° |
| O42 | C42 | C32 | O3 | 52.1° | 57.0° |
| O42 | C42 | C52 | O5 | 60.0° | 62.3° |
| O42 | C42 | C32 | C22 | 66.1° | 62.9° |
| O42 | C42 | C32 | H17 | 172.8° | 177.2° |
| O42 | C42 | C52 | H21 | 178.6° | 177.7° |
| C62 | C52 | C42 | O5 | 121.4° | 120.0° |
| C62 | C52 | C42 | H21 | 120.0° | 120.1° |
| C62 | C52 | C42 | C32 | 179.7° | 177.6° |
| C62 | C52 | O5 | H21 | 118.6° | 120.1° |
| C62 | C52 | O5 | C13 | 170.2° | 178.9° |
| C62 | C52 | C42 | H19 | 61.4° | 62.5° |
| C52 | C62 | H23 | H24 | 119.8° | 120.0° |
| C52 | C62 | O62 | H40 | 180.0° | 180.0° |
| O1A1 | C12 | C21 | C31 | 150.1° | 54.9° |
| O1A1 | C12 | C21 | O3 | 91.2° | 175.0° |
| O1A1 | C12 | C21 | O61 | 28.3° | 65.0° |
| C12 | C21 | C31 | C41 | 71.7° | 62.3° |
| C12 | C21 | C31 | O3 | 123.2° | 120.1° |
| C12 | C21 | C31 | O61 | 125.4° | 120.0° |
| C12 | C21 | O3 | O61 | 123.4° | 120.0° |
| C12 | C21 | O3 | C32 | 66.2° | 67.5° |
| C12 | C21 | O61 | C61 | 60.4° | 58.8° |
| C12 | C21 | C31 | H15 | 48.7° | 177.7° |
| C12 | C21 | C31 | H16 | 167.8° | 57.5° |
| C21 | C12 | O1A1 | H48 | 164.6° | 180.0° |
| C52 | C42 | C32 | H19 | 118.1° | 119.9° |
| C52 | C42 | C32 | O3 | 173.8° | 176.9° |
| C42 | C52 | O5 | H21 | 117.8° | 119.9° |
| C52 | C42 | C32 | C22 | 55.6° | 57.0° |
| C42 | C52 | O5 | C13 | 66.1° | 61.1° |
| C52 | C42 | C32 | H17 | 65.5° | 62.9° |
| C42 | C52 | C62 | H23 | 174.3° | 55.0° |
| C42 | C52 | C62 | H24 | 54.4° | 65.0° |
| C52 | C42 | O42 | H39 | 180.0° | 60.0° |
| C42 | C32 | O3 | C21 | 126.2° | 127.6° |
| C42 | C32 | O3 | C22 | 120.9° | 119.7° |
| C42 | C32 | O3 | H17 | 119.9° | 120.2° |
| C32 | C42 | C52 | O5 | 58.9° | 57.6° |
| C42 | C32 | C22 | H17 | 121.1° | 119.9° |
| C42 | C32 | C22 | C13 | 53.9° | 56.9° |
| C42 | C32 | C22 | O2 | 176.6° | 176.9° |
| C42 | C32 | C22 | H1 | 64.6° | 63.0° |
| C32 | C42 | C52 | H21 | 59.7° | 62.4° |
| C32 | C42 | O42 | H39 | 61.3° | 179.7° |
| C41 | C31 | C21 | H15 | 120.5° | 120.0° |
| C41 | C31 | C21 | H16 | 120.5° | 119.9° |
| C31 | C41 | O41 | C51 | 122.9° | 119.5° |
| C31 | C41 | O41 | H18 | 117.9° | 120.3° |
| C41 | C31 | C21 | O3 | 165.1° | 177.6° |
| C31 | C41 | C51 | H18 | 119.8° | 120.0° |
| C41 | C31 | C21 | O61 | 53.6° | 57.7° |
| C31 | C41 | C51 | N51 | 168.8° | 176.9° |
| C31 | C41 | C51 | C61 | 48.1° | 57.0° |
| C41 | C31 | H15 | H16 | 118.5° | 120.2° |
| C31 | C41 | C51 | H20 | 70.3° | 63.0° |
| C31 | C41 | O41 | H38 | 180.0° | 60.1° |
| C21 | C31 | C41 | O41 | 169.5° | 176.9° |
| C31 | C21 | O3 | O61 | 111.4° | 119.9° |
| C31 | C21 | O3 | C32 | 168.6° | 172.4° |
| C21 | C31 | C41 | C51 | 47.9° | 57.0° |
| C31 | C21 | O61 | C61 | 66.6° | 61.2° |
| C21 | C31 | H15 | H16 | 118.4° | 120.1° |
| C21 | C31 | C41 | H18 | 71.7° | 62.9° |
| O9 | C9 | C8 | H9 | 120.0° | 120.1° |
| O9 | C9 | C8 | H10 | 120.0° | 120.0° |
| O9 | C9 | C8 | O8 | 67.4° | 65.0° |
| O9 | C9 | C8 | C7 | 55.9° | 175.0° |
| O9 | C9 | C8 | H4 | 174.1° | 55.0° |
| O9 | C9 | H9 | H10 | 120.1° | 120.0° |
| O41 | C41 | C51 | H18 | 120.1° | 120.2° |
| O41 | C41 | C51 | N51 | 71.1° | 63.2° |
| O41 | C41 | C51 | C61 | 168.2° | 176.9° |
| O41 | C41 | C31 | H15 | 70.0° | 57.0° |
| O41 | C41 | C31 | H16 | 49.0° | 63.3° |
| O41 | C41 | C51 | H20 | 49.8° | 56.9° |
| C21 | O3 | C32 | C22 | 112.9° | 112.7° |
| O3 | C21 | O61 | C61 | 176.5° | 178.8° |
| O3 | C21 | C31 | H15 | 74.4° | 57.7° |
| O3 | C21 | C31 | H16 | 44.6° | 62.5° |
| C21 | O3 | C32 | H17 | 6.3° | 7.4° |
| C32 | O3 | C21 | O61 | 57.2° | 52.5° |
| O3 | C32 | C22 | H17 | 120.1° | 120.1° |
| O3 | C32 | C22 | C13 | 172.7° | 177.0° |
| O3 | C32 | C22 | O2 | 64.6° | 63.1° |
| O3 | C32 | C22 | H1 | 54.2° | 57.1° |
| O3 | C32 | C42 | H19 | 68.1° | 63.1° |
| C41 | C51 | C61 | O61 | 56.3° | 57.6° |
| C41 | C51 | N51 | C61 | 120.9° | 119.7° |
| C41 | C51 | N51 | H20 | 120.2° | 120.1° |
| C41 | C51 | C61 | H20 | 118.3° | 120.0° |
| C41 | C51 | N51 | C101 | 110.6° | 85.0° |
| C41 | C51 | C61 | C71 | 174.1° | 177.6° |
| C51 | C41 | C31 | H15 | 168.4° | 62.9° |
| C51 | C41 | C31 | H16 | 72.6° | 176.9° |
| C41 | C51 | C61 | H22 | 63.5° | 62.4° |
| C41 | C51 | N51 | H33 | 69.4° | 95.0° |
| C51 | C41 | O41 | H38 | 57.1° | 179.6° |
| C21 | O61 | C61 | C51 | 69.8° | 61.2° |
| C21 | O61 | C61 | C71 | 167.3° | 178.8° |
| O61 | C21 | C31 | H15 | 174.1° | 62.3° |
| O61 | C21 | C31 | H16 | 66.9° | 177.5° |
| C21 | O61 | C61 | H22 | 49.2° | 58.8° |
| C9 | C8 | O8 | C7 | 124.6° | 120.0° |
| C9 | C8 | O8 | H4 | 117.6° | 120.0° |
| C9 | C8 | C7 | H4 | 118.2° | 120.0° |
| C9 | C8 | C7 | O7 | 63.1° | 60.0° |
| C9 | C8 | C7 | C6 | 175.1° | 179.9° |
| C9 | C8 | C7 | H3 | 57.3° | 60.0° |
| C8 | C9 | H9 | H10 | 120.2° | 120.0° |
| C9 | C8 | O8 | H43 | 169.3° | 60.0° |
| C52 | O5 | C13 | C22 | 63.1° | 61.1° |
| C52 | O5 | C13 | O1 | 177.9° | 178.8° |
| C52 | O5 | C13 | H8 | 57.2° | 58.8° |
| O5 | C52 | C42 | H19 | 177.2° | 177.5° |
| O5 | C52 | C62 | H23 | 53.6° | 174.9° |
| O5 | C52 | C62 | H24 | 66.3° | 55.0° |
| C32 | C22 | C13 | O5 | 54.5° | 57.6° |
| C32 | C22 | C13 | O2 | 119.5° | 120.0° |
| C32 | C22 | C13 | H1 | 118.5° | 119.9° |
| C32 | C22 | O2 | H1 | 117.9° | 120.2° |
| C32 | C22 | C13 | O1 | 169.5° | 177.6° |
| C32 | C22 | C13 | H8 | 66.8° | 62.4° |
| C22 | C32 | C42 | H19 | 173.6° | 176.9° |
| C32 | C22 | O2 | H36 | 180.0° | 179.7° |
| O8 | C8 | C7 | H4 | 118.6° | 120.1° |
| O8 | C8 | C7 | O7 | 173.8° | 180.0° |
| O8 | C8 | C7 | C6 | 52.0° | 60.1° |
| O8 | C8 | C7 | H3 | 65.9° | 60.0° |
| O8 | C8 | C9 | H9 | 172.6° | 174.9° |
| O8 | C8 | C9 | H10 | 52.5° | 55.0° |
| O5 | C13 | C22 | O1 | 115.0° | 120.0° |
| O5 | C13 | C22 | H8 | 121.3° | 120.0° |
| O5 | C13 | C22 | O2 | 174.0° | 177.5° |
| O5 | C13 | O1 | H8 | 120.5° | 120.0° |
| O5 | C13 | C22 | H1 | 64.0° | 62.4° |
| C13 | O5 | C52 | H21 | 51.7° | 58.8° |
| O5 | C13 | O1 | H34 | 180.0° | 60.0° |
| C8 | C7 | O7 | C6 | 121.3° | 119.9° |
| C8 | C7 | O7 | H3 | 119.4° | 120.0° |
| C8 | C7 | C6 | H3 | 117.8° | 120.0° |
| C8 | C7 | C6 | O6 | 51.6° | 55.0° |
| C8 | C7 | C6 | C5 | 172.1° | 174.9° |
| C8 | C7 | C6 | H2 | 66.1° | 65.0° |
| C7 | C8 | C9 | H9 | 64.1° | 55.0° |
| C7 | C8 | C9 | H10 | 175.8° | 65.0° |
| C8 | C7 | O7 | H41 | 162.0° | 60.0° |
| C7 | C8 | O8 | H43 | 66.0° | 60.0° |
| O61 | C61 | C51 | N51 | 178.6° | 177.5° |
| O61 | C61 | C51 | C71 | 117.8° | 120.0° |
| O61 | C61 | C51 | H22 | 119.8° | 120.0° |
| O61 | C61 | C71 | H22 | 119.0° | 120.1° |
| O61 | C61 | C71 | C81 | 74.2° | 66.7° |
| O61 | C61 | C71 | O71 | 46.9° | 53.3° |
| O61 | C61 | C51 | H20 | 61.9° | 62.4° |
| O61 | C61 | C71 | H25 | 167.0° | 173.3° |
| N51 | C51 | C61 | H20 | 119.5° | 120.1° |
| C51 | N51 | C101 | H33 | 180.0° | 180.0° |
| N51 | C51 | C61 | C71 | 63.7° | 62.5° |
| C51 | N51 | C101 | C111 | 39.1° | 180.0° |
| C51 | N51 | C101 | O101 | 145.7° | 0.1° |
| N51 | C51 | C41 | H18 | 49.1° | 57.0° |
| N51 | C51 | C61 | H22 | 58.7° | 57.5° |
| C61 | C51 | N51 | C101 | 128.5° | 155.3° |
| C51 | C61 | C71 | H22 | 122.3° | 120.0° |
| C51 | C61 | C71 | C81 | 167.1° | 173.4° |
| C51 | C61 | C71 | O71 | 71.7° | 66.6° |
| C61 | C51 | C41 | H18 | 71.7° | 62.9° |
| C51 | C61 | C71 | H25 | 48.3° | 53.4° |
| C61 | C51 | N51 | H33 | 51.5° | 24.7° |
| C13 | C22 | O2 | H1 | 121.1° | 120.1° |
| C22 | C13 | O1 | H8 | 122.5° | 120.0° |
| C13 | C22 | C32 | H17 | 67.2° | 62.9° |
| C22 | C13 | O1 | H34 | 63.0° | 180.0° |
| C13 | C22 | O2 | H36 | 59.0° | 60.0° |
| O2 | C22 | C13 | O1 | 71.0° | 62.5° |
| O2 | C22 | C13 | H8 | 52.7° | 57.5° |
| O2 | C22 | C32 | H17 | 55.5° | 57.0° |
| N51 | C101 | C111 | O101 | 175.0° | 179.9° |
| C101 | N51 | C51 | H20 | 9.6° | 35.1° |
| N51 | C101 | C111 | H45 | 175.0° | 0.1° |
| N51 | C101 | C111 | H46 | 65.0° | 120.1° |
| N51 | C101 | C111 | H47 | 55.0° | 120.0° |
| C61 | C71 | C81 | O71 | 120.5° | 120.0° |
| C61 | C71 | C81 | H25 | 118.8° | 120.0° |
| C61 | C71 | O71 | H25 | 119.1° | 120.0° |
| C61 | C71 | C81 | C91 | 95.1° | 173.2° |
| C61 | C71 | C81 | O81 | 145.8° | 66.8° |
| C71 | C61 | C51 | H20 | 55.8° | 57.6° |
| C61 | C71 | C81 | H26 | 26.6° | 53.2° |
| C61 | C71 | O71 | H42 | 180.0° | 60.0° |
| O1B | C1 | O1A | C2 | 168.8° | 180.0° |
| O1B | C1 | C2 | O6 | 24.0° | 117.9° |
| O1B | C1 | C2 | O81 | 95.5° | 2.1° |
| O1B | C1 | C2 | C3 | 144.5° | 122.1° |
| O1B | C1 | O1A | H35 | 0.0° | 3.8° |
| O1 | C13 | C22 | H1 | 51.0° | 57.7° |
| O7 | C7 | C6 | H3 | 120.2° | 120.0° |
| O7 | C7 | C6 | O6 | 70.4° | 65.0° |
| O7 | C7 | C6 | C5 | 50.0° | 55.0° |
| O7 | C7 | C6 | H2 | 171.8° | 175.0° |
| O7 | C7 | C8 | H4 | 55.2° | 59.9° |
| C7 | C6 | O6 | C5 | 126.7° | 120.0° |
| C7 | C6 | O6 | H2 | 116.9° | 120.0° |
| C7 | C6 | C5 | H2 | 121.7° | 120.0° |
| C7 | C6 | O6 | C2 | 162.7° | 178.9° |
| C7 | C6 | C5 | N5 | 59.6° | 62.5° |
| C7 | C6 | C5 | C4 | 178.5° | 177.6° |
| C6 | C7 | C8 | H4 | 66.7° | 60.0° |
| C7 | C6 | C5 | H11 | 63.4° | 57.7° |
| C6 | C7 | O7 | H41 | 76.7° | 60.0° |
| C111 | C101 | N51 | H33 | 140.9° | 0.1° |
| C101 | C111 | H45 | H46 | 120.0° | 120.0° |
| C101 | C111 | H45 | H47 | 120.0° | 120.0° |
| C101 | C111 | H46 | H47 | 120.0° | 119.9° |
| O101 | C101 | N51 | H33 | 34.4° | 180.0° |
| O101 | C101 | C111 | H45 | 0.0° | 180.0° |
| O101 | C101 | C111 | H46 | 120.0° | 60.0° |
| O101 | C101 | C111 | H47 | 120.0° | 59.9° |
| O1A | C1 | C2 | O6 | 144.9° | 62.1° |
| O1A | C1 | C2 | O81 | 95.5° | 177.9° |
| O1A | C1 | C2 | C3 | 24.4° | 57.9° |
| C1 | C2 | O6 | C6 | 59.2° | 58.9° |
| C1 | C2 | O81 | C81 | 54.8° | 66.8° |
| C1 | C2 | O6 | O81 | 123.0° | 120.0° |
| C1 | C2 | O6 | C3 | 125.0° | 120.0° |
| C1 | C2 | O81 | C3 | 124.3° | 120.0° |
| C1 | C2 | C3 | C4 | 70.3° | 62.4° |
| C1 | C2 | C3 | H13 | 169.6° | 57.5° |
| C1 | C2 | C3 | H14 | 49.9° | 177.7° |
| C2 | C1 | O1A | H35 | 168.8° | 176.2° |
| O6 | C6 | C5 | H2 | 117.1° | 120.0° |
| C6 | O6 | C2 | O81 | 177.7° | 178.9° |
| C6 | O6 | C2 | C3 | 65.8° | 61.1° |
| O6 | C6 | C5 | N5 | 179.2° | 177.5° |
| O6 | C6 | C5 | C4 | 60.4° | 57.6° |
| O6 | C6 | C7 | H3 | 169.4° | 175.0° |
| O6 | C6 | C5 | H11 | 57.8° | 62.4° |
| C5 | C6 | O6 | C2 | 70.6° | 61.1° |
| C6 | C5 | N5 | C10 | 92.8° | 155.0° |
| C6 | C5 | N5 | C4 | 117.2° | 119.7° |
| C6 | C5 | N5 | H11 | 122.4° | 120.1° |
| C6 | C5 | C4 | H11 | 118.3° | 119.9° |
| C6 | C5 | C4 | C3 | 56.2° | 57.0° |
| C6 | C5 | C4 | O4 | 179.2° | 176.8° |
| C5 | C6 | C7 | H3 | 70.2° | 65.0° |
| C6 | C5 | C4 | H12 | 61.6° | 62.9° |
| C6 | C5 | N5 | H32 | 87.2° | 25.0° |
| C81 | C71 | O71 | H25 | 119.6° | 120.0° |
| C71 | C81 | C91 | O81 | 120.3° | 120.0° |
| C71 | C81 | C91 | H26 | 121.7° | 120.0° |
| C71 | C81 | O81 | H26 | 118.3° | 120.0° |
| C71 | C81 | C91 | O91 | 175.7° | 55.0° |
| C71 | C81 | O81 | C2 | 102.2° | 156.7° |
| C81 | C71 | C61 | H22 | 44.8° | 53.3° |
| C71 | C81 | C91 | H27 | 64.7° | 175.0° |
| C71 | C81 | C91 | H28 | 56.0° | 65.0° |
| C81 | C71 | O71 | H42 | 58.7° | 60.1° |
| O71 | C71 | C81 | C91 | 25.4° | 53.2° |
| O71 | C71 | C81 | O81 | 93.7° | 173.2° |
| O71 | C71 | C61 | H22 | 165.9° | 173.4° |
| O71 | C71 | C81 | H26 | 147.1° | 66.8° |
| C91 | C81 | O81 | H26 | 117.2° | 120.0° |
| C81 | C91 | O91 | H27 | 119.7° | 120.0° |
| C81 | C91 | O91 | H28 | 119.7° | 120.0° |
| C91 | C81 | O81 | C2 | 133.3° | 83.3° |
| C91 | C81 | C71 | H25 | 146.0° | 66.8° |
| C81 | C91 | H27 | H28 | 121.0° | 120.0° |
| C81 | C91 | O91 | H44 | 180.0° | 180.0° |
| C81 | O81 | C2 | O6 | 69.5° | 53.2° |
| O81 | C81 | C91 | O91 | 55.4° | 65.0° |
| C81 | O81 | C2 | C3 | 179.1° | 173.2° |
| O81 | C81 | C71 | H25 | 27.0° | 53.2° |
| O81 | C81 | C91 | H27 | 175.0° | 55.0° |
| O81 | C81 | C91 | H28 | 64.3° | 175.0° |
| O6 | C2 | O81 | C3 | 111.4° | 120.0° |
| O6 | C2 | C3 | C4 | 54.9° | 57.6° |
| C2 | O6 | C6 | H2 | 45.7° | 58.8° |
| O6 | C2 | C3 | H13 | 65.2° | 177.5° |
| O6 | C2 | C3 | H14 | 175.1° | 62.3° |
| O91 | C91 | C81 | H26 | 62.6° | 175.0° |
| O91 | C91 | H27 | H28 | 121.0° | 120.0° |
| C11 | C10 | O10 | N5 | 179.9° | 180.0° |
| C11 | C10 | N5 | C5 | 169.5° | 180.0° |
| C10 | C11 | H5 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H7 | 120.0° | 120.0° |
| C10 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C10 | N5 | H32 | 10.5° | 0.1° |
| O10 | C10 | N5 | C5 | 10.6° | 0.0° |
| O10 | C10 | C11 | H5 | 0.0° | 90.0° |
| O10 | C10 | C11 | H6 | 120.0° | 30.0° |
| O10 | C10 | C11 | H7 | 120.0° | 150.0° |
| O10 | C10 | N5 | H32 | 169.4° | 180.0° |
| C10 | N5 | C5 | H32 | 180.0° | 179.9° |
| C10 | N5 | C5 | C4 | 150.0° | 85.3° |
| N5 | C10 | C11 | H5 | 179.9° | 90.0° |
| N5 | C10 | C11 | H6 | 60.1° | 150.0° |
| N5 | C10 | C11 | H7 | 59.9° | 30.0° |
| C10 | N5 | C5 | H11 | 29.6° | 34.8° |
| O81 | C2 | C3 | C4 | 166.5° | 177.6° |
| O81 | C2 | C3 | H13 | 46.4° | 62.5° |
| O81 | C2 | C3 | H14 | 73.3° | 57.7° |
| C2 | O81 | C81 | H26 | 16.1° | 36.7° |
| C2 | C3 | C4 | C5 | 54.8° | 57.0° |
| C2 | C3 | C4 | H13 | 120.2° | 119.9° |
| C2 | C3 | C4 | H14 | 120.2° | 119.9° |
| C2 | C3 | C4 | O4 | 178.2° | 176.8° |
| C2 | C3 | C4 | H12 | 62.9° | 62.9° |
| C2 | C3 | H13 | H14 | 119.5° | 120.2° |
| N5 | C5 | C4 | H11 | 121.2° | 120.1° |
| N5 | C5 | C4 | C3 | 176.7° | 176.9° |
| N5 | C5 | C4 | O4 | 60.3° | 63.3° |
| N5 | C5 | C6 | H2 | 62.1° | 57.5° |
| N5 | C5 | C4 | H12 | 58.9° | 57.0° |
| C5 | C4 | C3 | O4 | 123.5° | 119.8° |
| C5 | C4 | C3 | H12 | 117.7° | 119.9° |
| C5 | C4 | O4 | H12 | 118.2° | 120.2° |
| C4 | C5 | C6 | H2 | 56.7° | 62.3° |
| C5 | C4 | C3 | H13 | 65.4° | 176.9° |
| C5 | C4 | C3 | H14 | 174.9° | 62.9° |
| C4 | C5 | N5 | H32 | 30.0° | 94.7° |
| C5 | C4 | O4 | H37 | 180.0° | 180.0° |
| C3 | C4 | O4 | H12 | 117.9° | 120.2° |
| C3 | C4 | C5 | H11 | 62.1° | 62.9° |
| C4 | C3 | H13 | H14 | 119.6° | 120.2° |
| C3 | C4 | O4 | H37 | 56.1° | 60.5° |
| O4 | C4 | C5 | H11 | 60.9° | 56.9° |
| O4 | C4 | C3 | H13 | 58.1° | 63.3° |
| O4 | C4 | C3 | H14 | 61.6° | 56.9° |
| H1 | C22 | C13 | H8 | 174.7° | 177.7° |
| H1 | C22 | C32 | H17 | 174.3° | 177.2° |
| H1 | C22 | O2 | H36 | 62.1° | 60.1° |
| H2 | C6 | C7 | H3 | 51.6° | 55.0° |
| H2 | C6 | C5 | H11 | 174.9° | 177.7° |
| H3 | C7 | C8 | H4 | 175.5° | 180.0° |
| H3 | C7 | O7 | H41 | 42.6° | 180.0° |
| H4 | C8 | C9 | H9 | 54.1° | 65.0° |
| H4 | C8 | C9 | H10 | 66.0° | 175.0° |
| H4 | C8 | O8 | H43 | 51.7° | 180.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C13 | O1 | H34 | 59.5° | 60.0° |
| H11 | C5 | C4 | H12 | 179.9° | 177.2° |
| H11 | C5 | N5 | H32 | 150.4° | 145.1° |
| H12 | C4 | C3 | H13 | 176.9° | 57.0° |
| H12 | C4 | C3 | H14 | 57.2° | 177.2° |
| H12 | C4 | O4 | H37 | 61.8° | 59.8° |
| H15 | C31 | C41 | H18 | 48.8° | 177.2° |
| H16 | C31 | C41 | H18 | 167.8° | 56.9° |
| H17 | C32 | C42 | H19 | 52.6° | 57.0° |
| H18 | C41 | C51 | H20 | 169.9° | 177.1° |
| H18 | C41 | O41 | H38 | 62.1° | 60.2° |
| H19 | C42 | C52 | H21 | 58.6° | 57.6° |
| H19 | C42 | O42 | H39 | 58.1° | 60.1° |
| H20 | C51 | C61 | H22 | 178.2° | 177.6° |
| H20 | C51 | N51 | H33 | 170.4° | 144.9° |
| H21 | C52 | C62 | H23 | 65.7° | 65.0° |
| H21 | C52 | C62 | H24 | 174.4° | 175.0° |
| H22 | C61 | C71 | H25 | 74.0° | 66.6° |
| H23 | C62 | O62 | H40 | 59.9° | 60.0° |
| H24 | C62 | O62 | H40 | 60.0° | 60.0° |
| H25 | C71 | C81 | H26 | 92.2° | 173.2° |
| H25 | C71 | O71 | H42 | 60.9° | 180.0° |
| H26 | C81 | C91 | H27 | 57.0° | 65.0° |
| H26 | C81 | C91 | H28 | 177.7° | 55.0° |
| H27 | C91 | O91 | H44 | 60.3° | 59.9° |
| H28 | C91 | O91 | H44 | 60.4° | 60.0° |
| H29 | CM9 | H30 | H31 | 119.9° | 120.0° |
| H45 | C111 | H46 | H47 | 120.0° | 120.1° |
