A1AR1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA9 | CA9 | doub | 1.21Å | 1.22Å | |
| CM9 | CA9 | sing | 1.51Å | 1.50Å | |
| O1B1 | C12 | doub | 1.21Å | 1.22Å | |
| CA9 | O9 | sing | 1.34Å | 1.35Å | |
| C12 | O1A1 | sing | 1.34Å | 1.22Å | |
| C12 | C21 | sing | 1.51Å | 1.61Å | |
| O9 | C9 | sing | 1.45Å | 1.44Å | |
| O41 | C41 | sing | 1.43Å | 1.42Å | |
| C31 | C41 | sing | 1.53Å | 1.54Å | |
| C31 | C21 | sing | 1.53Å | 1.55Å | |
| C41 | C51 | sing | 1.53Å | 1.56Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| O3 | C21 | sing | 1.43Å | 1.43Å | |
| C21 | O61 | sing | 1.43Å | 1.44Å | |
| O8 | C8 | sing | 1.43Å | 1.44Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C51 | N51 | sing | 1.46Å | 1.48Å | |
| C51 | C61 | sing | 1.53Å | 1.55Å | |
| O61 | C61 | sing | 1.43Å | 1.44Å | |
| N51 | C101 | sing | 1.35Å | 1.36Å | |
| C61 | C71 | sing | 1.53Å | 1.54Å | |
| O1B | C1 | doub | 1.21Å | 1.23Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C101 | C111 | sing | 1.51Å | 1.51Å | |
| C101 | O101 | doub | 1.21Å | 1.22Å | |
| C1 | O1A | sing | 1.34Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.60Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C71 | C81 | sing | 1.53Å | 1.55Å | |
| C71 | O71 | sing | 1.43Å | 1.43Å | |
| C81 | C91 | sing | 1.53Å | 1.53Å | |
| C81 | O81 | sing | 1.43Å | 1.44Å | |
| O6 | C2 | sing | 1.43Å | 1.44Å | |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C91 | O91 | sing | 1.43Å | 1.42Å | |
| C10 | O10 | doub | 1.21Å | 1.22Å | |
| C10 | N5 | sing | 1.35Å | 1.35Å | |
| C2 | O81 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| N5 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C51 | H16 | sing | 1.09Å | 1.10Å | |
| C61 | H17 | sing | 1.09Å | 1.10Å | |
| C71 | H18 | sing | 1.09Å | 1.10Å | |
| C81 | H19 | sing | 1.09Å | 1.10Å | |
| C91 | H20 | sing | 1.09Å | 1.10Å | |
| C91 | H21 | sing | 1.09Å | 1.10Å | |
| CM9 | H22 | sing | 1.09Å | 1.10Å | |
| CM9 | H23 | sing | 1.09Å | 1.10Å | |
| CM9 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| N51 | H26 | sing | 0.97Å | 1.00Å | |
| O1A | H27 | sing | 0.97Å | 0.95Å | |
| O3 | H28 | sing | 0.97Å | 0.95Å | |
| O4 | H29 | sing | 0.97Å | 0.95Å | |
| O41 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| O71 | H32 | sing | 0.97Å | 0.95Å | |
| O8 | H33 | sing | 0.97Å | 0.95Å | |
| O91 | H34 | sing | 0.97Å | 0.95Å | |
| C111 | H35 | sing | 1.09Å | 1.10Å | |
| C111 | H36 | sing | 1.09Å | 1.10Å | |
| C111 | H37 | sing | 1.09Å | 1.10Å | |
| O1A1 | H38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA9 | CA9 | CM9 | 124.3° | 120.0° |
| OA9 | CA9 | O9 | 124.7° | 120.0° |
| CM9 | CA9 | O9 | 111.0° | 120.0° |
| CA9 | CM9 | H22 | 109.5° | 109.5° |
| CA9 | CM9 | H23 | 109.5° | 109.5° |
| CA9 | CM9 | H24 | 109.4° | 109.4° |
| O1B1 | C12 | O1A1 | 121.9° | 120.0° |
| O1B1 | C12 | C21 | 118.7° | 120.0° |
| CA9 | O9 | C9 | 118.5° | 117.0° |
| O1A1 | C12 | C21 | 118.4° | 120.0° |
| C12 | O1A1 | H38 | 109.5° | 117.0° |
| C12 | C21 | C31 | 114.4° | 109.5° |
| C12 | C21 | O3 | 111.3° | 109.5° |
| C12 | C21 | O61 | 112.2° | 109.5° |
| O9 | C9 | C8 | 109.5° | 109.4° |
| O9 | C9 | H7 | 109.5° | 109.5° |
| O9 | C9 | H8 | 109.5° | 109.5° |
| O41 | C41 | C31 | 108.9° | 109.5° |
| O41 | C41 | C51 | 111.0° | 109.5° |
| O41 | C41 | H15 | 109.4° | 109.6° |
| C41 | O41 | H30 | 109.5° | 114.0° |
| C41 | C31 | C21 | 111.9° | 109.1° |
| C31 | C41 | C51 | 111.9° | 109.0° |
| C41 | C31 | H13 | 108.9° | 109.5° |
| C41 | C31 | H14 | 108.9° | 109.5° |
| C31 | C41 | H15 | 107.9° | 109.5° |
| C31 | C21 | O3 | 108.0° | 109.5° |
| C31 | C21 | O61 | 105.7° | 109.4° |
| C21 | C31 | H13 | 108.9° | 109.5° |
| C21 | C31 | H14 | 108.9° | 109.5° |
| C41 | C51 | N51 | 111.8° | 109.5° |
| C41 | C51 | C61 | 108.5° | 109.1° |
| C51 | C41 | H15 | 107.7° | 109.6° |
| C41 | C51 | H16 | 108.7° | 109.5° |
| C9 | C8 | O8 | 109.9° | 109.5° |
| C9 | C8 | C7 | 112.6° | 109.5° |
| C9 | C8 | H3 | 107.4° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.4° |
| C8 | C9 | H8 | 109.4° | 109.5° |
| O3 | C21 | O61 | 104.6° | 109.5° |
| C21 | O3 | H28 | 109.5° | 114.0° |
| C21 | O61 | C61 | 115.2° | 114.1° |
| O8 | C8 | C7 | 110.6° | 109.4° |
| O8 | C8 | H3 | 108.8° | 109.4° |
| C8 | O8 | H33 | 109.5° | 114.0° |
| C8 | C7 | O7 | 111.2° | 109.5° |
| C8 | C7 | C6 | 108.8° | 109.5° |
| C8 | C7 | H2 | 108.1° | 109.5° |
| C7 | C8 | H3 | 107.3° | 109.5° |
| N51 | C51 | C61 | 109.4° | 109.5° |
| C51 | N51 | C101 | 128.1° | 120.0° |
| N51 | C51 | H16 | 109.6° | 109.5° |
| C51 | N51 | H26 | 115.9° | 120.0° |
| C51 | C61 | O61 | 109.6° | 109.4° |
| C51 | C61 | C71 | 114.4° | 109.5° |
| C61 | C51 | H16 | 108.8° | 109.6° |
| C51 | C61 | H17 | 107.7° | 109.5° |
| O61 | C61 | C71 | 108.2° | 109.4° |
| O61 | C61 | H17 | 109.0° | 109.5° |
| N51 | C101 | C111 | 118.3° | 120.0° |
| N51 | C101 | O101 | 119.7° | 120.0° |
| C101 | N51 | H26 | 116.0° | 120.0° |
| C61 | C71 | C81 | 109.6° | 109.5° |
| C61 | C71 | O71 | 112.9° | 109.5° |
| C71 | C61 | H17 | 107.8° | 109.5° |
| C61 | C71 | H18 | 107.2° | 109.5° |
| O1B | C1 | O1A | 121.9° | 120.0° |
| O1B | C1 | C2 | 120.1° | 120.0° |
| O7 | C7 | C6 | 110.7° | 109.5° |
| O7 | C7 | H2 | 109.8° | 109.5° |
| C7 | O7 | H31 | 109.5° | 114.0° |
| C7 | C6 | O6 | 107.9° | 109.5° |
| C7 | C6 | C5 | 117.7° | 109.5° |
| C7 | C6 | H1 | 107.6° | 109.5° |
| C6 | C7 | H2 | 108.2° | 109.5° |
| C111 | C101 | O101 | 122.0° | 120.0° |
| C101 | C111 | H35 | 109.5° | 109.5° |
| C101 | C111 | H36 | 109.5° | 109.4° |
| C101 | C111 | H37 | 109.5° | 109.5° |
| O1A | C1 | C2 | 117.4° | 120.0° |
| C1 | O1A | H27 | 109.5° | 117.0° |
| C1 | C2 | O6 | 113.2° | 109.5° |
| C1 | C2 | O81 | 111.7° | 109.5° |
| C1 | C2 | C3 | 114.4° | 109.5° |
| O6 | C6 | C5 | 106.9° | 109.4° |
| C6 | O6 | C2 | 114.9° | 114.1° |
| O6 | C6 | H1 | 108.9° | 109.5° |
| C6 | C5 | N5 | 111.8° | 109.5° |
| C6 | C5 | C4 | 105.9° | 109.1° |
| C5 | C6 | H1 | 107.7° | 109.5° |
| C6 | C5 | H9 | 109.6° | 109.5° |
| C81 | C71 | O71 | 111.0° | 109.5° |
| C71 | C81 | C91 | 116.3° | 109.5° |
| C71 | C81 | O81 | 108.6° | 109.5° |
| C81 | C71 | H18 | 107.2° | 109.4° |
| C71 | C81 | H19 | 107.8° | 109.5° |
| O71 | C71 | H18 | 108.6° | 109.5° |
| C71 | O71 | H32 | 109.5° | 113.9° |
| C91 | C81 | O81 | 106.9° | 109.4° |
| C81 | C91 | O91 | 107.6° | 109.5° |
| C91 | C81 | H19 | 107.9° | 109.5° |
| C81 | C91 | H20 | 110.0° | 109.5° |
| C81 | C91 | H21 | 109.9° | 109.5° |
| C81 | O81 | C2 | 114.9° | 114.0° |
| O81 | C81 | H19 | 109.2° | 109.5° |
| O6 | C2 | O81 | 105.2° | 109.4° |
| O6 | C2 | C3 | 105.8° | 109.4° |
| C11 | C10 | O10 | 123.3° | 120.1° |
| C11 | C10 | N5 | 114.3° | 120.0° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.4° | 109.5° |
| C10 | C11 | H6 | 109.5° | 109.4° |
| O91 | C91 | H20 | 109.9° | 109.5° |
| O91 | C91 | H21 | 109.9° | 109.5° |
| C91 | O91 | H34 | 109.5° | 114.1° |
| O10 | C10 | N5 | 122.4° | 120.0° |
| C10 | N5 | C5 | 126.0° | 120.0° |
| C10 | N5 | H25 | 117.0° | 120.0° |
| O81 | C2 | C3 | 105.7° | 109.5° |
| C2 | C3 | C4 | 111.8° | 109.2° |
| C2 | C3 | H11 | 108.9° | 109.5° |
| C2 | C3 | H12 | 108.9° | 109.6° |
| N5 | C5 | C4 | 109.1° | 109.6° |
| N5 | C5 | H9 | 110.8° | 109.6° |
| C5 | N5 | H25 | 117.0° | 120.0° |
| C5 | C4 | C3 | 112.0° | 109.1° |
| C5 | C4 | O4 | 111.6° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C5 | C4 | H10 | 107.0° | 109.5° |
| C3 | C4 | O4 | 110.2° | 109.6° |
| C3 | C4 | H10 | 107.2° | 109.5° |
| C4 | C3 | H11 | 108.9° | 109.5° |
| C4 | C3 | H12 | 108.9° | 109.5° |
| O4 | C4 | H10 | 108.7° | 109.6° |
| C4 | O4 | H29 | 109.5° | 114.0° |
| H4 | C11 | H5 | 109.4° | 109.5° |
| H4 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H13 | C31 | H14 | 109.4° | 109.6° |
| H20 | C91 | H21 | 109.5° | 109.5° |
| H22 | CM9 | H23 | 109.5° | 109.5° |
| H22 | CM9 | H24 | 109.4° | 109.4° |
| H23 | CM9 | H24 | 109.5° | 109.5° |
| H35 | C111 | H36 | 109.4° | 109.5° |
| H35 | C111 | H37 | 109.4° | 109.6° |
| H36 | C111 | H37 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA9 | CA9 | CM9 | O9 | 179.9° | 180.0° |
| OA9 | CA9 | O9 | C9 | 4.4° | 0.0° |
| OA9 | CA9 | CM9 | H22 | 0.0° | 179.9° |
| OA9 | CA9 | CM9 | H23 | 120.0° | 60.0° |
| OA9 | CA9 | CM9 | H24 | 120.0° | 60.0° |
| CM9 | CA9 | O9 | C9 | 175.7° | 180.0° |
| CA9 | CM9 | H22 | H23 | 120.0° | 120.1° |
| CA9 | CM9 | H22 | H24 | 120.0° | 119.9° |
| CA9 | CM9 | H23 | H24 | 120.0° | 120.0° |
| O1B1 | C12 | O1A1 | C21 | 168.6° | 180.0° |
| O1B1 | C12 | C21 | C31 | 19.6° | 125.1° |
| O1B1 | C12 | C21 | O3 | 103.1° | 5.0° |
| O1B1 | C12 | C21 | O61 | 140.1° | 115.0° |
| O1B1 | C12 | O1A1 | H38 | 0.0° | 0.0° |
| CA9 | O9 | C9 | C8 | 169.4° | 180.0° |
| CA9 | O9 | C9 | H7 | 70.6° | 60.1° |
| CA9 | O9 | C9 | H8 | 49.5° | 60.0° |
| O9 | CA9 | CM9 | H22 | 179.9° | 0.1° |
| O9 | CA9 | CM9 | H23 | 60.1° | 120.0° |
| O9 | CA9 | CM9 | H24 | 59.9° | 120.0° |
| O1A1 | C12 | C21 | C31 | 149.4° | 54.9° |
| O1A1 | C12 | C21 | O3 | 87.9° | 175.0° |
| O1A1 | C12 | C21 | O61 | 29.0° | 65.0° |
| C12 | C21 | C31 | C41 | 68.2° | 62.3° |
| C12 | C21 | C31 | O3 | 124.5° | 120.1° |
| C12 | C21 | C31 | O61 | 124.0° | 120.0° |
| C12 | C21 | O3 | O61 | 121.4° | 120.0° |
| C12 | C21 | O61 | C61 | 60.8° | 58.8° |
| C12 | C21 | C31 | H13 | 52.2° | 177.8° |
| C12 | C21 | C31 | H14 | 171.5° | 57.5° |
| C12 | C21 | O3 | H28 | 180.0° | 60.0° |
| C21 | C12 | O1A1 | H38 | 168.6° | 180.0° |
| O9 | C9 | C8 | H7 | 120.0° | 120.0° |
| O9 | C9 | C8 | H8 | 120.0° | 120.0° |
| O9 | C9 | C8 | O8 | 63.7° | 65.0° |
| O9 | C9 | C8 | C7 | 60.1° | 175.0° |
| O9 | C9 | C8 | H3 | 178.0° | 55.0° |
| O9 | C9 | H7 | H8 | 120.0° | 120.0° |
| O41 | C41 | C31 | C51 | 123.1° | 119.9° |
| O41 | C41 | C31 | H15 | 118.6° | 120.3° |
| O41 | C41 | C31 | C21 | 175.6° | 176.9° |
| O41 | C41 | C51 | H15 | 119.7° | 120.3° |
| O41 | C41 | C51 | N51 | 67.4° | 63.2° |
| O41 | C41 | C51 | C61 | 172.0° | 176.9° |
| O41 | C41 | C31 | H13 | 64.1° | 57.0° |
| O41 | C41 | C31 | H14 | 55.2° | 63.3° |
| O41 | C41 | C51 | H16 | 53.8° | 56.9° |
| C41 | C31 | C21 | H13 | 120.4° | 119.9° |
| C41 | C31 | C21 | H14 | 120.4° | 119.9° |
| C31 | C41 | C51 | H15 | 118.4° | 119.9° |
| C41 | C31 | C21 | O3 | 167.4° | 177.6° |
| C41 | C31 | C21 | O61 | 55.8° | 57.6° |
| C31 | C41 | C51 | N51 | 170.7° | 176.9° |
| C31 | C41 | C51 | C61 | 50.1° | 57.0° |
| C41 | C31 | H13 | H14 | 118.9° | 120.2° |
| C31 | C41 | C51 | H16 | 68.1° | 63.0° |
| C31 | C41 | O41 | H30 | 180.0° | 60.0° |
| C21 | C31 | C41 | C51 | 52.5° | 57.0° |
| C31 | C21 | O3 | O61 | 112.2° | 119.9° |
| C31 | C21 | O61 | C61 | 64.6° | 61.2° |
| C21 | C31 | H13 | H14 | 118.9° | 120.2° |
| C21 | C31 | C41 | H15 | 65.8° | 62.9° |
| C31 | C21 | O3 | H28 | 53.7° | 180.0° |
| C41 | C51 | N51 | C61 | 120.1° | 119.7° |
| C41 | C51 | N51 | H16 | 120.6° | 120.1° |
| C41 | C51 | C61 | H16 | 118.1° | 119.9° |
| C41 | C51 | C61 | O61 | 54.4° | 57.6° |
| C41 | C51 | N51 | C101 | 105.7° | 85.0° |
| C41 | C51 | C61 | C71 | 176.2° | 177.6° |
| C51 | C41 | C31 | H13 | 172.9° | 62.9° |
| C51 | C41 | C31 | H14 | 67.9° | 176.9° |
| C41 | C51 | C61 | H17 | 64.0° | 62.4° |
| C41 | C51 | N51 | H26 | 74.3° | 95.0° |
| C51 | C41 | O41 | H30 | 56.4° | 179.6° |
| C9 | C8 | O8 | C7 | 125.0° | 120.0° |
| C9 | C8 | O8 | H3 | 117.4° | 120.1° |
| C9 | C8 | C7 | H3 | 118.0° | 120.1° |
| C9 | C8 | C7 | O7 | 61.4° | 60.0° |
| C9 | C8 | C7 | C6 | 176.4° | 180.0° |
| C9 | C8 | C7 | H2 | 59.1° | 60.0° |
| C8 | C9 | H7 | H8 | 120.0° | 120.0° |
| C9 | C8 | O8 | H33 | 165.9° | 59.9° |
| O3 | C21 | O61 | C61 | 178.4° | 178.9° |
| O3 | C21 | C31 | H13 | 72.3° | 57.7° |
| O3 | C21 | C31 | H14 | 47.0° | 62.6° |
| C21 | O61 | C61 | C51 | 66.2° | 61.2° |
| C21 | O61 | C61 | C71 | 168.4° | 178.9° |
| O61 | C21 | C31 | H13 | 176.2° | 62.3° |
| O61 | C21 | C31 | H14 | 64.5° | 177.5° |
| C21 | O61 | C61 | H17 | 51.5° | 58.9° |
| O61 | C21 | O3 | H28 | 58.6° | 60.0° |
| O8 | C8 | C7 | H3 | 118.5° | 119.9° |
| O8 | C8 | C7 | O7 | 175.1° | 180.0° |
| O8 | C8 | C7 | C6 | 53.0° | 60.0° |
| O8 | C8 | C7 | H2 | 64.3° | 60.0° |
| O8 | C8 | C9 | H7 | 176.3° | 175.0° |
| O8 | C8 | C9 | H8 | 56.3° | 55.0° |
| C8 | C7 | O7 | C6 | 121.1° | 120.0° |
| C8 | C7 | O7 | H2 | 119.5° | 120.0° |
| C8 | C7 | C6 | H2 | 117.2° | 120.0° |
| C8 | C7 | C6 | O6 | 53.8° | 55.0° |
| C8 | C7 | C6 | C5 | 174.8° | 174.9° |
| C8 | C7 | C6 | H1 | 63.5° | 65.0° |
| C7 | C8 | C9 | H7 | 59.9° | 55.1° |
| C7 | C8 | C9 | H8 | 179.9° | 65.0° |
| C8 | C7 | O7 | H31 | 162.8° | 60.0° |
| C7 | C8 | O8 | H33 | 69.2° | 60.0° |
| N51 | C51 | C61 | H16 | 119.7° | 120.2° |
| N51 | C51 | C61 | O61 | 176.6° | 177.5° |
| C51 | N51 | C101 | H26 | 180.0° | 180.0° |
| N51 | C51 | C61 | C71 | 61.6° | 62.6° |
| C51 | N51 | C101 | C111 | 19.5° | 179.9° |
| C51 | N51 | C101 | O101 | 161.7° | 0.0° |
| N51 | C51 | C41 | H15 | 52.3° | 57.0° |
| N51 | C51 | C61 | H17 | 58.2° | 57.5° |
| C51 | C61 | O61 | C71 | 125.4° | 119.9° |
| C51 | C61 | O61 | H17 | 117.6° | 120.1° |
| C61 | C51 | N51 | C101 | 134.2° | 155.3° |
| C51 | C61 | C71 | H17 | 119.7° | 120.1° |
| C51 | C61 | C71 | C81 | 163.3° | 175.0° |
| C51 | C61 | C71 | O71 | 72.5° | 55.0° |
| C61 | C51 | C41 | H15 | 68.3° | 62.9° |
| C51 | C61 | C71 | H18 | 47.2° | 65.1° |
| C61 | C51 | N51 | H26 | 45.9° | 24.7° |
| O61 | C61 | C71 | H17 | 117.8° | 120.0° |
| O61 | C61 | C71 | C81 | 74.2° | 55.1° |
| O61 | C61 | C71 | O71 | 50.0° | 65.0° |
| O61 | C61 | C51 | H16 | 63.6° | 62.3° |
| O61 | C61 | C71 | H18 | 169.7° | 175.0° |
| N51 | C101 | C111 | O101 | 178.8° | 180.0° |
| C101 | N51 | C51 | H16 | 14.9° | 35.1° |
| N51 | C101 | C111 | H35 | 178.8° | 90.0° |
| N51 | C101 | C111 | H36 | 61.2° | 150.0° |
| N51 | C101 | C111 | H37 | 58.8° | 30.1° |
| C61 | C71 | C81 | O71 | 125.4° | 120.1° |
| C61 | C71 | C81 | H18 | 116.1° | 120.0° |
| C61 | C71 | O71 | H18 | 118.8° | 120.0° |
| C61 | C71 | C81 | C91 | 92.0° | 179.9° |
| C61 | C71 | C81 | O81 | 147.4° | 60.0° |
| C71 | C61 | C51 | H16 | 58.1° | 57.6° |
| C61 | C71 | C81 | H19 | 29.3° | 60.0° |
| C61 | C71 | O71 | H32 | 180.0° | 60.1° |
| O1B | C1 | O1A | C2 | 171.1° | 180.0° |
| O1B | C1 | C2 | O6 | 15.3° | 115.0° |
| O1B | C1 | C2 | O81 | 103.2° | 5.0° |
| O1B | C1 | C2 | C3 | 136.7° | 125.1° |
| O1B | C1 | O1A | H27 | 0.0° | 0.0° |
| O7 | C7 | C6 | H2 | 120.3° | 120.0° |
| O7 | C7 | C6 | O6 | 68.7° | 65.0° |
| O7 | C7 | C6 | C5 | 52.2° | 54.9° |
| O7 | C7 | C6 | H1 | 174.0° | 175.0° |
| O7 | C7 | C8 | H3 | 56.6° | 60.0° |
| C7 | C6 | O6 | C5 | 127.4° | 120.0° |
| C7 | C6 | O6 | H1 | 116.5° | 120.0° |
| C7 | C6 | C5 | H1 | 121.7° | 120.0° |
| C7 | C6 | O6 | C2 | 161.1° | 178.8° |
| C7 | C6 | C5 | N5 | 58.3° | 62.5° |
| C7 | C6 | C5 | C4 | 177.0° | 177.6° |
| C6 | C7 | C8 | H3 | 65.6° | 60.0° |
| C7 | C6 | C5 | H9 | 64.9° | 57.7° |
| C6 | C7 | O7 | H31 | 76.1° | 60.0° |
| C111 | C101 | N51 | H26 | 160.5° | 0.0° |
| C101 | C111 | H35 | H36 | 120.0° | 119.9° |
| C101 | C111 | H35 | H37 | 120.0° | 120.1° |
| C101 | C111 | H36 | H37 | 120.0° | 120.0° |
| O101 | C101 | N51 | H26 | 18.3° | 180.0° |
| O101 | C101 | C111 | H35 | 0.0° | 90.0° |
| O101 | C101 | C111 | H36 | 120.0° | 30.0° |
| O101 | C101 | C111 | H37 | 120.0° | 149.9° |
| O1A | C1 | C2 | O6 | 155.9° | 65.0° |
| O1A | C1 | C2 | O81 | 85.5° | 175.0° |
| O1A | C1 | C2 | C3 | 34.6° | 55.0° |
| C1 | C2 | O6 | C6 | 62.0° | 58.8° |
| C1 | C2 | O81 | C81 | 53.0° | 59.9° |
| C1 | C2 | O6 | O81 | 122.3° | 120.0° |
| C1 | C2 | O6 | C3 | 126.1° | 120.0° |
| C1 | C2 | O81 | C3 | 125.1° | 120.1° |
| C1 | C2 | C3 | C4 | 73.4° | 62.4° |
| C1 | C2 | C3 | H11 | 166.2° | 57.5° |
| C1 | C2 | C3 | H12 | 46.9° | 177.7° |
| C2 | C1 | O1A | H27 | 171.1° | 180.0° |
| O6 | C6 | C5 | H1 | 116.8° | 120.0° |
| C6 | O6 | C2 | O81 | 175.7° | 178.9° |
| C6 | O6 | C2 | C3 | 64.1° | 61.2° |
| O6 | C6 | C5 | N5 | 179.8° | 177.5° |
| O6 | C6 | C5 | C4 | 61.5° | 57.6° |
| O6 | C6 | C7 | H2 | 171.0° | 175.0° |
| O6 | C6 | C5 | H9 | 56.5° | 62.2° |
| C5 | C6 | O6 | C2 | 71.4° | 61.2° |
| C6 | C5 | N5 | C10 | 90.3° | 155.0° |
| C6 | C5 | N5 | C4 | 116.8° | 119.7° |
| C6 | C5 | N5 | H9 | 122.6° | 120.1° |
| C6 | C5 | C4 | H9 | 118.1° | 119.8° |
| C6 | C5 | C4 | C3 | 55.3° | 57.0° |
| C6 | C5 | C4 | O4 | 179.4° | 176.9° |
| C5 | C6 | C7 | H2 | 68.1° | 65.1° |
| C6 | C5 | C4 | H10 | 61.9° | 62.9° |
| C6 | C5 | N5 | H25 | 89.7° | 25.0° |
| C81 | C71 | O71 | H18 | 117.7° | 119.9° |
| C71 | C81 | C91 | O81 | 121.5° | 120.0° |
| C71 | C81 | C91 | H19 | 121.2° | 120.0° |
| C71 | C81 | O81 | H19 | 117.2° | 120.0° |
| C71 | C81 | C91 | O91 | 178.2° | 55.0° |
| C71 | C81 | O81 | C2 | 103.6° | 149.9° |
| C81 | C71 | C61 | H17 | 43.5° | 64.9° |
| C71 | C81 | C91 | H20 | 62.1° | 175.0° |
| C71 | C81 | C91 | H21 | 58.5° | 65.0° |
| C81 | C71 | O71 | H32 | 56.5° | 60.0° |
| O71 | C71 | C81 | C91 | 33.4° | 60.0° |
| O71 | C71 | C81 | O81 | 87.2° | 180.0° |
| O71 | C71 | C61 | H17 | 167.8° | 175.0° |
| O71 | C71 | C81 | H19 | 154.7° | 60.1° |
| C91 | C81 | O81 | H19 | 116.5° | 120.0° |
| C81 | C91 | O91 | H20 | 119.7° | 120.0° |
| C81 | C91 | O91 | H21 | 119.7° | 120.0° |
| C91 | C81 | O81 | C2 | 130.2° | 90.1° |
| C91 | C81 | C71 | H18 | 151.9° | 60.0° |
| C81 | C91 | H20 | H21 | 120.9° | 120.0° |
| C81 | C91 | O91 | H34 | 180.0° | 180.0° |
| C81 | O81 | C2 | O6 | 70.2° | 60.1° |
| O81 | C81 | C91 | O91 | 56.7° | 65.0° |
| C81 | O81 | C2 | C3 | 178.1° | 180.0° |
| O81 | C81 | C71 | H18 | 31.3° | 60.0° |
| O81 | C81 | C91 | H20 | 176.4° | 55.0° |
| O81 | C81 | C91 | H21 | 63.0° | 175.0° |
| O6 | C2 | O81 | C3 | 111.7° | 119.9° |
| O6 | C2 | C3 | C4 | 51.9° | 57.6° |
| C2 | O6 | C6 | H1 | 44.6° | 58.9° |
| O6 | C2 | C3 | H11 | 68.4° | 177.5° |
| O6 | C2 | C3 | H12 | 172.3° | 62.3° |
| C11 | C10 | O10 | N5 | 178.8° | 180.0° |
| C11 | C10 | N5 | C5 | 176.1° | 180.0° |
| C10 | C11 | H4 | H5 | 120.0° | 120.0° |
| C10 | C11 | H4 | H6 | 120.0° | 120.0° |
| C10 | C11 | H5 | H6 | 120.0° | 119.9° |
| C11 | C10 | N5 | H25 | 3.9° | 0.0° |
| O91 | C91 | C81 | H19 | 60.6° | 175.0° |
| O91 | C91 | H20 | H21 | 120.9° | 120.0° |
| O10 | C10 | N5 | C5 | 5.0° | 0.0° |
| O10 | C10 | C11 | H4 | 0.0° | 90.0° |
| O10 | C10 | C11 | H5 | 120.0° | 150.0° |
| O10 | C10 | C11 | H6 | 120.0° | 30.0° |
| O10 | C10 | N5 | H25 | 175.0° | 180.0° |
| C10 | N5 | C5 | H25 | 180.0° | 180.0° |
| C10 | N5 | C5 | C4 | 152.9° | 85.3° |
| N5 | C10 | C11 | H4 | 178.9° | 90.0° |
| N5 | C10 | C11 | H5 | 61.1° | 30.0° |
| N5 | C10 | C11 | H6 | 58.9° | 150.0° |
| C10 | N5 | C5 | H9 | 32.3° | 34.9° |
| O81 | C2 | C3 | C4 | 163.2° | 177.6° |
| O81 | C2 | C3 | H11 | 42.8° | 62.6° |
| O81 | C2 | C3 | H12 | 76.4° | 57.6° |
| C2 | O81 | C81 | H19 | 13.7° | 30.0° |
| C2 | C3 | C4 | C5 | 52.1° | 57.0° |
| C2 | C3 | C4 | H11 | 120.4° | 119.9° |
| C2 | C3 | C4 | H12 | 120.3° | 120.0° |
| C2 | C3 | C4 | O4 | 177.0° | 176.9° |
| C2 | C3 | C4 | H10 | 64.9° | 62.8° |
| C2 | C3 | H11 | H12 | 118.9° | 120.2° |
| N5 | C5 | C4 | H9 | 121.4° | 120.2° |
| N5 | C5 | C4 | C3 | 175.8° | 176.9° |
| N5 | C5 | C4 | O4 | 60.1° | 63.2° |
| N5 | C5 | C6 | H1 | 63.4° | 57.5° |
| N5 | C5 | C4 | H10 | 58.6° | 57.0° |
| C5 | C4 | C3 | O4 | 124.9° | 119.9° |
| C5 | C4 | C3 | H10 | 117.1° | 119.8° |
| C5 | C4 | O4 | H10 | 117.7° | 120.2° |
| C4 | C5 | C6 | H1 | 55.3° | 62.4° |
| C5 | C4 | C3 | H11 | 68.2° | 176.9° |
| C5 | C4 | C3 | H12 | 172.5° | 63.0° |
| C4 | C5 | N5 | H25 | 27.1° | 94.7° |
| C5 | C4 | O4 | H29 | 180.0° | 180.0° |
| C3 | C4 | O4 | H10 | 117.2° | 120.3° |
| C3 | C4 | C5 | H9 | 62.8° | 62.9° |
| C4 | C3 | H11 | H12 | 118.9° | 120.1° |
| C3 | C4 | O4 | H29 | 54.9° | 60.4° |
| O4 | C4 | C5 | H9 | 61.3° | 57.0° |
| O4 | C4 | C3 | H11 | 56.6° | 63.2° |
| O4 | C4 | C3 | H12 | 62.7° | 56.9° |
| H1 | C6 | C7 | H2 | 53.7° | 55.0° |
| H1 | C6 | C5 | H9 | 173.4° | 177.7° |
| H2 | C7 | C8 | H3 | 177.1° | 180.0° |
| H2 | C7 | O7 | H31 | 43.3° | 180.0° |
| H3 | C8 | C9 | H7 | 58.0° | 65.0° |
| H3 | C8 | C9 | H8 | 61.9° | 175.0° |
| H3 | C8 | O8 | H33 | 48.5° | 180.0° |
| H4 | C11 | H5 | H6 | 120.0° | 120.1° |
| H9 | C5 | C4 | H10 | 180.0° | 177.3° |
| H9 | C5 | N5 | H25 | 147.7° | 145.1° |
| H10 | C4 | C3 | H11 | 174.7° | 57.1° |
| H10 | C4 | C3 | H12 | 55.4° | 177.2° |
| H10 | C4 | O4 | H29 | 62.3° | 59.8° |
| H13 | C31 | C41 | H15 | 54.6° | 177.2° |
| H14 | C31 | C41 | H15 | 173.8° | 57.0° |
| H15 | C41 | C51 | H16 | 173.5° | 177.2° |
| H15 | C41 | O41 | H30 | 62.3° | 60.2° |
| H16 | C51 | C61 | H17 | 177.9° | 177.7° |
| H16 | C51 | N51 | H26 | 165.1° | 144.9° |
| H17 | C61 | C71 | H18 | 72.5° | 55.0° |
| H18 | C71 | C81 | H19 | 86.8° | 179.9° |
| H18 | C71 | O71 | H32 | 61.2° | 179.9° |
| H19 | C81 | C91 | H20 | 59.1° | 65.0° |
| H19 | C81 | C91 | H21 | 179.7° | 55.0° |
| H20 | C91 | O91 | H34 | 60.3° | 60.0° |
| H21 | C91 | O91 | H34 | 60.3° | 60.0° |
| H22 | CM9 | H23 | H24 | 120.0° | 120.0° |
| H35 | C111 | H36 | H37 | 119.9° | 120.1° |
