LYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | sing | 1.43Å | 1.42Å | |
| O8 | C7 | sing | 1.43Å | 1.41Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C5 | C2 | sing | 1.53Å | 1.51Å | |
| O1 | C2 | sing | 1.43Å | 1.41Å | |
| C7 | C9 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | CA4 | sing | 1.53Å | 1.52Å | |
| O4 | C3 | sing | 1.43Å | 1.42Å | |
| C3 | CA4 | sing | 1.53Å | 1.51Å | |
| CA4 | OA5 | sing | 1.43Å | 1.44Å | |
| OA5 | PA6 | sing | 1.61Å | 1.56Å | |
| OF2 | PA6 | doub | 1.48Å | 1.47Å | |
| PA6 | OF3 | sing | 1.61Å | 1.47Å | |
| PA6 | OA7 | sing | 1.61Å | 1.57Å | |
| OD1 | CB1 | doub | 1.21Å | 1.20Å | |
| CA8 | OA7 | sing | 1.43Å | 1.44Å | |
| CA8 | CA9 | sing | 1.53Å | 1.49Å | |
| CB1 | CB2 | sing | 1.51Å | 1.49Å | |
| CB1 | OB0 | sing | 1.34Å | 1.34Å | |
| CA9 | OB0 | sing | 1.45Å | 1.46Å | |
| CA9 | CD2 | sing | 1.53Å | 1.51Å | |
| CB2 | CB3 | sing | 1.53Å | 1.52Å | |
| CB3 | CB4 | sing | 1.53Å | 1.52Å | |
| CD2 | OD3 | sing | 1.43Å | 1.42Å | |
| CB4 | CB5 | sing | 1.51Å | 1.48Å | |
| OD3 | CD4 | sing | 1.43Å | 1.41Å | |
| CD0 | CC9 | sing | 1.53Å | 1.47Å | |
| CB5 | CB6 | doub | 1.31Å | 1.31Å | |
| CC7 | CC8 | sing | 1.53Å | 1.49Å | |
| CC7 | CC6 | sing | 1.53Å | 1.49Å | |
| CC8 | CC9 | sing | 1.53Å | 1.49Å | |
| CD4 | CD5 | sing | 1.53Å | 1.50Å | |
| CB6 | CB7 | sing | 1.51Å | 1.49Å | |
| CB7 | CB8 | sing | 1.51Å | 1.49Å | |
| CC5 | CC6 | sing | 1.51Å | 1.46Å | |
| CC5 | CC4 | doub | 1.31Å | 1.29Å | |
| CD5 | CD6 | sing | 1.53Å | 1.52Å | |
| CC4 | CC3 | sing | 1.51Å | 1.48Å | |
| CC3 | CC2 | sing | 1.51Å | 1.47Å | |
| CC0 | CB9 | sing | 1.51Å | 1.49Å | |
| CC0 | CC1 | sing | 1.51Å | 1.48Å | |
| CB8 | CB9 | doub | 1.31Å | 1.31Å | |
| CD6 | CD7 | sing | 1.53Å | 1.51Å | |
| CC2 | CC1 | doub | 1.31Å | 1.30Å | |
| CD7 | CD8 | sing | 1.53Å | 1.51Å | |
| CD9 | CD8 | sing | 1.53Å | 1.52Å | |
| CD9 | CE0 | sing | 1.53Å | 1.51Å | |
| CE0 | CE1 | sing | 1.53Å | 1.51Å | |
| CE1 | CE2 | sing | 1.53Å | 1.51Å | |
| CE2 | CE3 | sing | 1.53Å | 1.51Å | |
| CE3 | CE4 | sing | 1.53Å | 1.51Å | |
| CE4 | CE5 | sing | 1.53Å | 1.52Å | |
| CE5 | CE6 | sing | 1.53Å | 1.52Å | |
| CE6 | CE7 | sing | 1.53Å | 1.51Å | |
| CE7 | CE8 | sing | 1.53Å | 1.51Å | |
| CE8 | CE9 | sing | 1.53Å | 1.51Å | |
| CE9 | CF0 | sing | 1.53Å | 1.52Å | |
| CF0 | CF1 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| O8 | H3 | sing | 0.97Å | 0.95Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| CA4 | H11 | sing | 1.09Å | 1.10Å | |
| CA8 | H12 | sing | 1.09Å | 1.10Å | |
| CA8 | H13 | sing | 1.09Å | 1.10Å | |
| CA9 | H14 | sing | 1.09Å | 1.10Å | |
| CB2 | H15 | sing | 1.09Å | 1.10Å | |
| CB2 | H16 | sing | 1.09Å | 1.10Å | |
| CB3 | H17 | sing | 1.09Å | 1.10Å | |
| CB3 | H18 | sing | 1.09Å | 1.10Å | |
| CB4 | H19 | sing | 1.09Å | 1.10Å | |
| CB4 | H20 | sing | 1.09Å | 1.10Å | |
| CB5 | H21 | sing | 1.08Å | 1.08Å | |
| CB6 | H22 | sing | 1.08Å | 1.08Å | |
| CB7 | H23 | sing | 1.09Å | 1.10Å | |
| CB7 | H24 | sing | 1.09Å | 1.10Å | |
| CB8 | H25 | sing | 1.08Å | 1.08Å | |
| CB9 | H26 | sing | 1.08Å | 1.08Å | |
| CC0 | H27 | sing | 1.09Å | 1.10Å | |
| CC0 | H28 | sing | 1.09Å | 1.10Å | |
| CC1 | H29 | sing | 1.08Å | 1.08Å | |
| CC2 | H30 | sing | 1.08Å | 1.08Å | |
| CC3 | H31 | sing | 1.09Å | 1.10Å | |
| CC3 | H32 | sing | 1.09Å | 1.10Å | |
| CC4 | H33 | sing | 1.08Å | 1.08Å | |
| CC5 | H34 | sing | 1.08Å | 1.08Å | |
| CC6 | H35 | sing | 1.09Å | 1.10Å | |
| CC6 | H36 | sing | 1.09Å | 1.10Å | |
| CC7 | H37 | sing | 1.09Å | 1.10Å | |
| CC7 | H38 | sing | 1.09Å | 1.10Å | |
| CC8 | H39 | sing | 1.09Å | 1.10Å | |
| CC8 | H40 | sing | 1.09Å | 1.10Å | |
| CC9 | H41 | sing | 1.09Å | 1.10Å | |
| CC9 | H42 | sing | 1.09Å | 1.10Å | |
| CD0 | H43 | sing | 1.09Å | 1.10Å | |
| CD0 | H44 | sing | 1.09Å | 1.10Å | |
| CD0 | H45 | sing | 1.09Å | 1.10Å | |
| CD2 | H46 | sing | 1.09Å | 1.10Å | |
| CD2 | H47 | sing | 1.09Å | 1.10Å | |
| CD4 | H48 | sing | 1.09Å | 1.10Å | |
| CD4 | H49 | sing | 1.09Å | 1.10Å | |
| CD5 | H50 | sing | 1.09Å | 1.10Å | |
| CD5 | H51 | sing | 1.09Å | 1.10Å | |
| CD6 | H52 | sing | 1.09Å | 1.10Å | |
| CD6 | H53 | sing | 1.09Å | 1.10Å | |
| CD7 | H54 | sing | 1.09Å | 1.10Å | |
| CD7 | H55 | sing | 1.09Å | 1.10Å | |
| CD8 | H56 | sing | 1.09Å | 1.10Å | |
| CD8 | H57 | sing | 1.09Å | 1.10Å | |
| CD9 | H58 | sing | 1.09Å | 1.10Å | |
| CD9 | H59 | sing | 1.09Å | 1.10Å | |
| CE0 | H60 | sing | 1.09Å | 1.10Å | |
| CE0 | H61 | sing | 1.09Å | 1.10Å | |
| CE1 | H62 | sing | 1.09Å | 1.10Å | |
| CE1 | H63 | sing | 1.09Å | 1.10Å | |
| CE2 | H64 | sing | 1.09Å | 1.10Å | |
| CE2 | H65 | sing | 1.09Å | 1.10Å | |
| CE3 | H66 | sing | 1.09Å | 1.10Å | |
| CE3 | H67 | sing | 1.09Å | 1.10Å | |
| CE4 | H68 | sing | 1.09Å | 1.10Å | |
| CE4 | H69 | sing | 1.09Å | 1.10Å | |
| CE5 | H70 | sing | 1.09Å | 1.10Å | |
| CE5 | H71 | sing | 1.09Å | 1.10Å | |
| CE6 | H72 | sing | 1.09Å | 1.10Å | |
| CE6 | H73 | sing | 1.09Å | 1.10Å | |
| CE7 | H74 | sing | 1.09Å | 1.10Å | |
| CE7 | H75 | sing | 1.09Å | 1.10Å | |
| CE8 | H76 | sing | 1.09Å | 1.10Å | |
| CE8 | H77 | sing | 1.09Å | 1.10Å | |
| CE9 | H78 | sing | 1.09Å | 1.10Å | |
| CE9 | H79 | sing | 1.09Å | 1.10Å | |
| CF0 | H80 | sing | 1.09Å | 1.10Å | |
| CF0 | H81 | sing | 1.09Å | 1.10Å | |
| CF1 | H82 | sing | 1.09Å | 1.10Å | |
| CF1 | H83 | sing | 1.09Å | 1.10Å | |
| CF1 | H84 | sing | 1.09Å | 1.10Å | |
| OF3 | H85 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | C7 | 107.8° | 109.5° |
| O6 | C5 | C2 | 109.9° | 109.5° |
| O6 | C5 | H8 | 110.3° | 109.5° |
| C5 | O6 | H9 | 109.5° | 114.0° |
| O8 | C7 | C5 | 108.5° | 109.5° |
| O8 | C7 | C9 | 109.0° | 109.4° |
| O8 | C7 | H2 | 110.4° | 109.4° |
| C7 | O8 | H3 | 109.5° | 114.0° |
| C7 | C5 | C2 | 111.1° | 109.4° |
| C5 | C7 | C9 | 111.0° | 109.5° |
| C5 | C7 | H2 | 108.9° | 109.5° |
| C7 | C5 | H8 | 108.9° | 109.4° |
| C5 | C2 | O1 | 110.6° | 109.4° |
| C5 | C2 | C3 | 111.4° | 109.5° |
| C5 | C2 | H1 | 108.1° | 109.5° |
| C2 | C5 | H8 | 108.9° | 109.5° |
| O1 | C2 | C3 | 109.2° | 109.4° |
| O1 | C2 | H1 | 109.4° | 109.5° |
| C2 | O1 | H5 | 109.5° | 114.0° |
| C7 | C9 | O10 | 101.8° | 109.5° |
| C7 | C9 | CA4 | 108.4° | 109.4° |
| C9 | C7 | H2 | 109.0° | 109.5° |
| C7 | C9 | H4 | 111.0° | 109.5° |
| C2 | C3 | O4 | 110.3° | 109.5° |
| C2 | C3 | CA4 | 110.0° | 109.4° |
| C3 | C2 | H1 | 108.1° | 109.5° |
| C2 | C3 | H6 | 108.9° | 109.5° |
| O10 | C9 | CA4 | 111.9° | 109.4° |
| O10 | C9 | H4 | 112.3° | 109.5° |
| C9 | O10 | H10 | 109.5° | 114.0° |
| C9 | CA4 | C3 | 109.1° | 109.5° |
| C9 | CA4 | OA5 | 111.3° | 109.5° |
| CA4 | C9 | H4 | 111.0° | 109.5° |
| C9 | CA4 | H11 | 109.0° | 109.5° |
| O4 | C3 | CA4 | 108.4° | 109.5° |
| O4 | C3 | H6 | 110.2° | 109.5° |
| C3 | O4 | H7 | 109.5° | 114.1° |
| C3 | CA4 | OA5 | 108.2° | 109.4° |
| CA4 | C3 | H6 | 108.9° | 109.5° |
| C3 | CA4 | H11 | 109.1° | 109.5° |
| CA4 | OA5 | PA6 | 119.7° | 123.0° |
| OA5 | CA4 | H11 | 110.1° | 109.5° |
| OA5 | PA6 | OF2 | 110.5° | 109.5° |
| OA5 | PA6 | OF3 | 109.1° | 109.5° |
| OA5 | PA6 | OA7 | 99.0° | 109.5° |
| OF2 | PA6 | OF3 | 120.1° | 109.4° |
| OF2 | PA6 | OA7 | 107.5° | 109.5° |
| OF3 | PA6 | OA7 | 108.5° | 109.5° |
| PA6 | OF3 | H85 | 109.5° | 114.0° |
| PA6 | OA7 | CA8 | 118.4° | 123.0° |
| OD1 | CB1 | CB2 | 124.8° | 120.0° |
| OD1 | CB1 | OB0 | 124.0° | 120.0° |
| OA7 | CA8 | CA9 | 107.0° | 109.4° |
| OA7 | CA8 | H12 | 110.1° | 109.5° |
| OA7 | CA8 | H13 | 110.1° | 109.4° |
| CA8 | CA9 | OB0 | 107.4° | 109.5° |
| CA8 | CA9 | CD2 | 110.5° | 109.5° |
| CA9 | CA8 | H12 | 110.1° | 109.5° |
| CA9 | CA8 | H13 | 110.1° | 109.5° |
| CA8 | CA9 | H14 | 110.2° | 109.4° |
| CB2 | CB1 | OB0 | 111.3° | 120.0° |
| CB1 | CB2 | CB3 | 111.1° | 109.5° |
| CB1 | CB2 | H15 | 109.1° | 109.5° |
| CB1 | CB2 | H16 | 109.1° | 109.4° |
| CB1 | OB0 | CA9 | 117.4° | 117.0° |
| OB0 | CA9 | CD2 | 108.0° | 109.5° |
| OB0 | CA9 | H14 | 110.7° | 109.5° |
| CA9 | CD2 | OD3 | 109.2° | 109.5° |
| CD2 | CA9 | H14 | 110.0° | 109.5° |
| CA9 | CD2 | H46 | 109.5° | 109.5° |
| CA9 | CD2 | H47 | 109.5° | 109.4° |
| CB2 | CB3 | CB4 | 113.7° | 109.5° |
| CB3 | CB2 | H15 | 109.1° | 109.5° |
| CB3 | CB2 | H16 | 109.1° | 109.5° |
| CB2 | CB3 | H17 | 108.4° | 109.5° |
| CB2 | CB3 | H18 | 108.4° | 109.5° |
| CB3 | CB4 | CB5 | 111.1° | 109.5° |
| CB4 | CB3 | H17 | 108.4° | 109.5° |
| CB4 | CB3 | H18 | 108.4° | 109.4° |
| CB3 | CB4 | H19 | 109.1° | 109.5° |
| CB3 | CB4 | H20 | 109.0° | 109.4° |
| CD2 | OD3 | CD4 | 113.6° | 114.0° |
| OD3 | CD2 | H46 | 109.5° | 109.5° |
| OD3 | CD2 | H47 | 109.6° | 109.5° |
| CB4 | CB5 | CB6 | 126.8° | 120.0° |
| CB5 | CB4 | H19 | 109.1° | 109.5° |
| CB5 | CB4 | H20 | 109.1° | 109.5° |
| CB4 | CB5 | H21 | 116.6° | 120.0° |
| OD3 | CD4 | CD5 | 108.6° | 109.4° |
| OD3 | CD4 | H48 | 109.7° | 109.5° |
| OD3 | CD4 | H49 | 109.7° | 109.5° |
| CD0 | CC9 | CC8 | 111.7° | 109.4° |
| CD0 | CC9 | H41 | 108.9° | 109.5° |
| CD0 | CC9 | H42 | 108.9° | 109.5° |
| CC9 | CD0 | H43 | 109.5° | 109.5° |
| CC9 | CD0 | H44 | 109.4° | 109.4° |
| CC9 | CD0 | H45 | 109.5° | 109.5° |
| CB5 | CB6 | CB7 | 128.6° | 120.0° |
| CB6 | CB5 | H21 | 116.6° | 120.0° |
| CB5 | CB6 | H22 | 115.7° | 120.0° |
| CC8 | CC7 | CC6 | 113.3° | 109.5° |
| CC7 | CC8 | CC9 | 114.2° | 109.4° |
| CC8 | CC7 | H37 | 108.5° | 109.5° |
| CC8 | CC7 | H38 | 108.5° | 109.5° |
| CC7 | CC8 | H39 | 108.3° | 109.5° |
| CC7 | CC8 | H40 | 108.3° | 109.5° |
| CC7 | CC6 | CC5 | 111.3° | 109.5° |
| CC7 | CC6 | H35 | 109.0° | 109.5° |
| CC7 | CC6 | H36 | 109.0° | 109.4° |
| CC6 | CC7 | H37 | 108.5° | 109.5° |
| CC6 | CC7 | H38 | 108.5° | 109.5° |
| CC9 | CC8 | H39 | 108.3° | 109.5° |
| CC9 | CC8 | H40 | 108.3° | 109.5° |
| CC8 | CC9 | H41 | 108.9° | 109.5° |
| CC8 | CC9 | H42 | 108.9° | 109.5° |
| CD4 | CD5 | CD6 | 113.1° | 109.4° |
| CD5 | CD4 | H48 | 109.7° | 109.5° |
| CD5 | CD4 | H49 | 109.7° | 109.4° |
| CD4 | CD5 | H50 | 108.6° | 109.5° |
| CD4 | CD5 | H51 | 108.5° | 109.4° |
| CB6 | CB7 | CB8 | 110.5° | 109.5° |
| CB7 | CB6 | H22 | 115.7° | 120.0° |
| CB6 | CB7 | H23 | 109.2° | 109.5° |
| CB6 | CB7 | H24 | 109.2° | 109.4° |
| CB7 | CB8 | CB9 | 128.9° | 120.0° |
| CB8 | CB7 | H23 | 109.2° | 109.4° |
| CB8 | CB7 | H24 | 109.2° | 109.5° |
| CB7 | CB8 | H25 | 115.5° | 120.0° |
| CC6 | CC5 | CC4 | 124.9° | 120.0° |
| CC6 | CC5 | H34 | 117.5° | 120.0° |
| CC5 | CC6 | H35 | 109.0° | 109.5° |
| CC5 | CC6 | H36 | 109.0° | 109.5° |
| CC5 | CC4 | CC3 | 126.6° | 120.0° |
| CC5 | CC4 | H33 | 116.7° | 120.0° |
| CC4 | CC5 | H34 | 117.6° | 120.0° |
| CD5 | CD6 | CD7 | 113.5° | 109.4° |
| CD6 | CD5 | H50 | 108.6° | 109.5° |
| CD6 | CD5 | H51 | 108.6° | 109.5° |
| CD5 | CD6 | H52 | 108.5° | 109.5° |
| CD5 | CD6 | H53 | 108.4° | 109.5° |
| CC4 | CC3 | CC2 | 104.9° | 109.5° |
| CC4 | CC3 | H31 | 110.6° | 109.5° |
| CC4 | CC3 | H32 | 110.6° | 109.5° |
| CC3 | CC4 | H33 | 116.7° | 120.0° |
| CC3 | CC2 | CC1 | 127.9° | 120.0° |
| CC3 | CC2 | H30 | 116.1° | 120.0° |
| CC2 | CC3 | H31 | 110.6° | 109.5° |
| CC2 | CC3 | H32 | 110.6° | 109.5° |
| CB9 | CC0 | CC1 | 108.3° | 109.5° |
| CC0 | CB9 | CB8 | 128.6° | 120.0° |
| CC0 | CB9 | H26 | 115.7° | 120.0° |
| CB9 | CC0 | H27 | 109.8° | 109.5° |
| CB9 | CC0 | H28 | 109.8° | 109.4° |
| CC0 | CC1 | CC2 | 128.4° | 120.0° |
| CC1 | CC0 | H27 | 109.7° | 109.5° |
| CC1 | CC0 | H28 | 109.8° | 109.5° |
| CC0 | CC1 | H29 | 115.8° | 120.0° |
| CB9 | CB8 | H25 | 115.5° | 120.0° |
| CB8 | CB9 | H26 | 115.7° | 120.0° |
| CD6 | CD7 | CD8 | 114.1° | 109.5° |
| CD7 | CD6 | H52 | 108.5° | 109.5° |
| CD7 | CD6 | H53 | 108.5° | 109.5° |
| CD6 | CD7 | H54 | 108.3° | 109.5° |
| CD6 | CD7 | H55 | 108.3° | 109.5° |
| CC2 | CC1 | H29 | 115.8° | 120.0° |
| CC1 | CC2 | H30 | 116.0° | 120.0° |
| CD7 | CD8 | CD9 | 114.1° | 109.5° |
| CD8 | CD7 | H54 | 108.3° | 109.4° |
| CD8 | CD7 | H55 | 108.3° | 109.4° |
| CD7 | CD8 | H56 | 108.3° | 109.4° |
| CD7 | CD8 | H57 | 108.3° | 109.4° |
| CD8 | CD9 | CE0 | 113.4° | 109.5° |
| CD9 | CD8 | H56 | 108.3° | 109.5° |
| CD9 | CD8 | H57 | 108.3° | 109.5° |
| CD8 | CD9 | H58 | 108.5° | 109.4° |
| CD8 | CD9 | H59 | 108.5° | 109.5° |
| CD9 | CE0 | CE1 | 113.4° | 109.5° |
| CE0 | CD9 | H58 | 108.5° | 109.4° |
| CE0 | CD9 | H59 | 108.5° | 109.5° |
| CD9 | CE0 | H60 | 108.5° | 109.4° |
| CD9 | CE0 | H61 | 108.5° | 109.5° |
| CE0 | CE1 | CE2 | 113.6° | 109.4° |
| CE1 | CE0 | H60 | 108.5° | 109.5° |
| CE1 | CE0 | H61 | 108.5° | 109.5° |
| CE0 | CE1 | H62 | 108.4° | 109.4° |
| CE0 | CE1 | H63 | 108.4° | 109.5° |
| CE1 | CE2 | CE3 | 113.5° | 109.4° |
| CE2 | CE1 | H62 | 108.4° | 109.5° |
| CE2 | CE1 | H63 | 108.4° | 109.5° |
| CE1 | CE2 | H64 | 108.4° | 109.5° |
| CE1 | CE2 | H65 | 108.4° | 109.5° |
| CE2 | CE3 | CE4 | 113.7° | 109.4° |
| CE3 | CE2 | H64 | 108.4° | 109.5° |
| CE3 | CE2 | H65 | 108.5° | 109.4° |
| CE2 | CE3 | H66 | 108.4° | 109.5° |
| CE2 | CE3 | H67 | 108.4° | 109.4° |
| CE3 | CE4 | CE5 | 114.1° | 109.4° |
| CE4 | CE3 | H66 | 108.4° | 109.5° |
| CE4 | CE3 | H67 | 108.4° | 109.5° |
| CE3 | CE4 | H68 | 108.3° | 109.5° |
| CE3 | CE4 | H69 | 108.3° | 109.5° |
| CE4 | CE5 | CE6 | 113.9° | 109.5° |
| CE5 | CE4 | H68 | 108.3° | 109.5° |
| CE5 | CE4 | H69 | 108.3° | 109.5° |
| CE4 | CE5 | H70 | 108.3° | 109.5° |
| CE4 | CE5 | H71 | 108.3° | 109.5° |
| CE5 | CE6 | CE7 | 113.8° | 109.5° |
| CE6 | CE5 | H70 | 108.4° | 109.4° |
| CE6 | CE5 | H71 | 108.3° | 109.4° |
| CE5 | CE6 | H72 | 108.4° | 109.5° |
| CE5 | CE6 | H73 | 108.4° | 109.5° |
| CE6 | CE7 | CE8 | 114.4° | 109.5° |
| CE7 | CE6 | H72 | 108.4° | 109.5° |
| CE7 | CE6 | H73 | 108.4° | 109.4° |
| CE6 | CE7 | H74 | 108.2° | 109.5° |
| CE6 | CE7 | H75 | 108.2° | 109.5° |
| CE7 | CE8 | CE9 | 114.3° | 109.5° |
| CE8 | CE7 | H74 | 108.2° | 109.4° |
| CE8 | CE7 | H75 | 108.2° | 109.4° |
| CE7 | CE8 | H76 | 108.2° | 109.4° |
| CE7 | CE8 | H77 | 108.3° | 109.4° |
| CE8 | CE9 | CF0 | 114.3° | 109.5° |
| CE9 | CE8 | H76 | 108.3° | 109.5° |
| CE9 | CE8 | H77 | 108.3° | 109.5° |
| CE8 | CE9 | H78 | 108.3° | 109.5° |
| CE8 | CE9 | H79 | 108.3° | 109.5° |
| CE9 | CF0 | CF1 | 113.2° | 109.5° |
| CF0 | CE9 | H78 | 108.3° | 109.5° |
| CF0 | CE9 | H79 | 108.2° | 109.5° |
| CE9 | CF0 | H80 | 108.5° | 109.4° |
| CE9 | CF0 | H81 | 108.5° | 109.5° |
| CF1 | CF0 | H80 | 108.5° | 109.5° |
| CF1 | CF0 | H81 | 108.6° | 109.5° |
| CF0 | CF1 | H82 | 109.5° | 109.4° |
| CF0 | CF1 | H83 | 109.5° | 109.5° |
| CF0 | CF1 | H84 | 109.4° | 109.5° |
| H12 | CA8 | H13 | 109.4° | 109.4° |
| H15 | CB2 | H16 | 109.5° | 109.5° |
| H17 | CB3 | H18 | 109.5° | 109.5° |
| H19 | CB4 | H20 | 109.5° | 109.5° |
| H23 | CB7 | H24 | 109.5° | 109.5° |
| H27 | CC0 | H28 | 109.5° | 109.5° |
| H31 | CC3 | H32 | 109.5° | 109.4° |
| H35 | CC6 | H36 | 109.5° | 109.4° |
| H37 | CC7 | H38 | 109.5° | 109.4° |
| H39 | CC8 | H40 | 109.5° | 109.5° |
| H41 | CC9 | H42 | 109.5° | 109.5° |
| H43 | CD0 | H44 | 109.5° | 109.5° |
| H43 | CD0 | H45 | 109.5° | 109.5° |
| H44 | CD0 | H45 | 109.5° | 109.5° |
| H46 | CD2 | H47 | 109.5° | 109.5° |
| H48 | CD4 | H49 | 109.4° | 109.5° |
| H50 | CD5 | H51 | 109.5° | 109.5° |
| H52 | CD6 | H53 | 109.4° | 109.5° |
| H54 | CD7 | H55 | 109.5° | 109.5° |
| H56 | CD8 | H57 | 109.5° | 109.5° |
| H58 | CD9 | H59 | 109.5° | 109.5° |
| H60 | CE0 | H61 | 109.5° | 109.5° |
| H62 | CE1 | H63 | 109.5° | 109.5° |
| H64 | CE2 | H65 | 109.5° | 109.5° |
| H66 | CE3 | H67 | 109.5° | 109.5° |
| H68 | CE4 | H69 | 109.5° | 109.5° |
| H70 | CE5 | H71 | 109.5° | 109.5° |
| H72 | CE6 | H73 | 109.5° | 109.5° |
| H74 | CE7 | H75 | 109.5° | 109.5° |
| H76 | CE8 | H77 | 109.5° | 109.5° |
| H78 | CE9 | H79 | 109.5° | 109.4° |
| H80 | CF0 | H81 | 109.5° | 109.5° |
| H82 | CF1 | H83 | 109.4° | 109.5° |
| H82 | CF1 | H84 | 109.5° | 109.5° |
| H83 | CF1 | H84 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | C7 | O8 | 64.2° | 60.0° |
| O6 | C5 | C7 | C2 | 120.4° | 120.0° |
| O6 | C5 | C7 | H8 | 119.6° | 120.0° |
| O6 | C5 | C2 | H8 | 120.9° | 120.1° |
| O6 | C5 | C2 | O1 | 66.0° | 60.0° |
| O6 | C5 | C7 | C9 | 175.9° | 180.0° |
| O6 | C5 | C2 | C3 | 172.3° | 180.0° |
| O6 | C5 | C2 | H1 | 53.7° | 60.0° |
| O6 | C5 | C7 | H2 | 56.0° | 59.9° |
| O8 | C7 | C5 | C9 | 119.8° | 120.0° |
| O8 | C7 | C5 | H2 | 120.2° | 119.9° |
| O8 | C7 | C5 | C2 | 175.3° | 180.0° |
| O8 | C7 | C9 | H2 | 120.5° | 119.9° |
| O8 | C7 | C9 | O10 | 62.2° | 60.0° |
| O8 | C7 | C9 | CA4 | 179.7° | 180.0° |
| O8 | C7 | C9 | H4 | 57.5° | 60.0° |
| O8 | C7 | C5 | H8 | 55.4° | 60.0° |
| C7 | C5 | C2 | H8 | 120.0° | 119.9° |
| C7 | C5 | C2 | O1 | 174.8° | 180.0° |
| C5 | C7 | C9 | H2 | 120.0° | 120.1° |
| C7 | C5 | C2 | C3 | 53.1° | 60.0° |
| C5 | C7 | C9 | O10 | 178.3° | 180.0° |
| C5 | C7 | C9 | CA4 | 60.2° | 60.0° |
| C7 | C5 | C2 | H1 | 65.4° | 60.0° |
| C5 | C7 | O8 | H3 | 180.0° | 60.0° |
| C5 | C7 | C9 | H4 | 62.0° | 60.0° |
| C7 | C5 | O6 | H9 | 180.0° | 180.0° |
| C5 | C2 | O1 | C3 | 122.9° | 120.0° |
| C5 | C2 | O1 | H1 | 119.0° | 120.0° |
| C2 | C5 | C7 | C9 | 55.5° | 60.0° |
| C5 | C2 | C3 | H1 | 118.6° | 120.0° |
| C5 | C2 | C3 | O4 | 63.5° | 59.9° |
| C5 | C2 | C3 | CA4 | 56.1° | 60.0° |
| C2 | C5 | C7 | H2 | 64.4° | 60.1° |
| C5 | C2 | O1 | H5 | 180.0° | 60.0° |
| C5 | C2 | C3 | H6 | 175.4° | 180.0° |
| C2 | C5 | O6 | H9 | 58.8° | 60.0° |
| O1 | C2 | C3 | H1 | 119.0° | 120.0° |
| O1 | C2 | C3 | O4 | 58.9° | 60.0° |
| O1 | C2 | C3 | CA4 | 178.5° | 180.0° |
| O1 | C2 | C3 | H6 | 62.2° | 60.0° |
| O1 | C2 | C5 | H8 | 54.8° | 60.1° |
| C7 | C9 | O10 | CA4 | 115.6° | 120.0° |
| C7 | C9 | O10 | H4 | 118.8° | 120.0° |
| C7 | C9 | CA4 | H4 | 122.2° | 120.0° |
| C7 | C9 | CA4 | C3 | 62.6° | 60.0° |
| C7 | C9 | CA4 | OA5 | 178.1° | 180.0° |
| C9 | C7 | O8 | H3 | 59.0° | 180.0° |
| C9 | C7 | C5 | H8 | 64.4° | 60.0° |
| C7 | C9 | O10 | H10 | 180.0° | 60.0° |
| C7 | C9 | CA4 | H11 | 56.4° | 60.0° |
| C2 | C3 | CA4 | C9 | 61.0° | 60.0° |
| C2 | C3 | O4 | CA4 | 120.6° | 120.0° |
| C2 | C3 | O4 | H6 | 120.3° | 120.0° |
| C2 | C3 | CA4 | H6 | 119.3° | 120.0° |
| C2 | C3 | CA4 | OA5 | 177.8° | 180.0° |
| C3 | C2 | O1 | H5 | 57.1° | 180.0° |
| C2 | C3 | O4 | H7 | 180.0° | 60.1° |
| C3 | C2 | C5 | H8 | 66.8° | 59.9° |
| C2 | C3 | CA4 | H11 | 58.0° | 60.0° |
| O10 | C9 | CA4 | H4 | 126.3° | 120.0° |
| O10 | C9 | CA4 | C3 | 174.1° | 180.0° |
| O10 | C9 | CA4 | OA5 | 66.6° | 60.0° |
| O10 | C9 | C7 | H2 | 58.3° | 59.9° |
| O10 | C9 | CA4 | H11 | 55.1° | 60.0° |
| C9 | CA4 | C3 | O4 | 59.8° | 59.9° |
| C9 | CA4 | C3 | OA5 | 121.2° | 120.0° |
| C9 | CA4 | C3 | H11 | 119.0° | 120.0° |
| C9 | CA4 | OA5 | H11 | 121.0° | 120.0° |
| C9 | CA4 | OA5 | PA6 | 141.1° | 120.0° |
| CA4 | C9 | C7 | H2 | 59.8° | 60.1° |
| C9 | CA4 | C3 | H6 | 179.8° | 180.0° |
| CA4 | C9 | O10 | H10 | 64.4° | 180.0° |
| O4 | C3 | CA4 | H6 | 120.0° | 120.0° |
| O4 | C3 | CA4 | OA5 | 61.4° | 60.0° |
| O4 | C3 | C2 | H1 | 177.9° | 180.0° |
| O4 | C3 | CA4 | H11 | 178.8° | 180.0° |
| C3 | CA4 | OA5 | H11 | 119.2° | 120.0° |
| C3 | CA4 | OA5 | PA6 | 99.1° | 120.0° |
| CA4 | C3 | C2 | H1 | 62.5° | 60.0° |
| C3 | CA4 | C9 | H4 | 59.6° | 60.0° |
| CA4 | C3 | O4 | H7 | 59.4° | 180.0° |
| CA4 | OA5 | PA6 | OF2 | 28.3° | 55.0° |
| CA4 | OA5 | PA6 | OF3 | 105.7° | 65.0° |
| CA4 | OA5 | PA6 | OA7 | 141.0° | 175.0° |
| OA5 | CA4 | C9 | H4 | 59.7° | 60.0° |
| OA5 | CA4 | C3 | H6 | 58.6° | 60.0° |
| OA5 | PA6 | OF2 | OF3 | 128.3° | 120.0° |
| OA5 | PA6 | OF2 | OA7 | 107.1° | 120.0° |
| OA5 | PA6 | OF3 | OA7 | 106.9° | 120.0° |
| OA5 | PA6 | OA7 | CA8 | 81.9° | 175.0° |
| PA6 | OA5 | CA4 | H11 | 20.1° | 0.0° |
| OA5 | PA6 | OF3 | H85 | 128.9° | 60.0° |
| OF2 | PA6 | OF3 | OA7 | 124.2° | 120.0° |
| OF2 | PA6 | OA7 | CA8 | 33.0° | 55.0° |
| OF2 | PA6 | OF3 | H85 | 0.0° | 180.0° |
| OF3 | PA6 | OA7 | CA8 | 164.4° | 65.0° |
| PA6 | OA7 | CA8 | CA9 | 157.3° | 180.0° |
| PA6 | OA7 | CA8 | H12 | 83.0° | 59.9° |
| PA6 | OA7 | CA8 | H13 | 37.7° | 60.0° |
| OA7 | PA6 | OF3 | H85 | 124.2° | 60.0° |
| OD1 | CB1 | CB2 | OB0 | 179.9° | 179.9° |
| OD1 | CB1 | OB0 | CA9 | 1.4° | 0.1° |
| OD1 | CB1 | CB2 | CB3 | 34.4° | 0.1° |
| OD1 | CB1 | CB2 | H15 | 154.6° | 120.0° |
| OD1 | CB1 | CB2 | H16 | 85.9° | 120.0° |
| OA7 | CA8 | CA9 | H12 | 119.6° | 120.0° |
| OA7 | CA8 | CA9 | H13 | 119.6° | 120.0° |
| OA7 | CA8 | CA9 | OB0 | 164.1° | 65.1° |
| OA7 | CA8 | CA9 | CD2 | 46.5° | 55.0° |
| OA7 | CA8 | H12 | H13 | 121.2° | 120.0° |
| OA7 | CA8 | CA9 | H14 | 75.3° | 175.0° |
| CA8 | CA9 | OB0 | CB1 | 151.7° | 89.9° |
| CA8 | CA9 | OB0 | CD2 | 119.2° | 120.0° |
| CA8 | CA9 | OB0 | H14 | 120.3° | 120.0° |
| CA8 | CA9 | CD2 | H14 | 121.9° | 120.0° |
| CA8 | CA9 | CD2 | OD3 | 53.2° | 55.0° |
| CA9 | CA8 | H12 | H13 | 121.2° | 120.0° |
| CA8 | CA9 | CD2 | H46 | 173.2° | 175.0° |
| CA8 | CA9 | CD2 | H47 | 66.8° | 65.0° |
| CB2 | CB1 | OB0 | CA9 | 178.4° | 180.0° |
| CB1 | CB2 | CB3 | H15 | 120.2° | 120.1° |
| CB1 | CB2 | CB3 | H16 | 120.3° | 119.9° |
| CB1 | CB2 | CB3 | CB4 | 84.4° | 180.0° |
| CB1 | CB2 | H15 | H16 | 119.3° | 119.9° |
| CB1 | CB2 | CB3 | H17 | 155.0° | 59.9° |
| CB1 | CB2 | CB3 | H18 | 36.3° | 60.1° |
| CB1 | OB0 | CA9 | CD2 | 89.1° | 150.0° |
| OB0 | CB1 | CB2 | CB3 | 145.5° | 180.0° |
| CB1 | OB0 | CA9 | H14 | 31.4° | 30.0° |
| OB0 | CB1 | CB2 | H15 | 25.2° | 59.9° |
| OB0 | CB1 | CB2 | H16 | 94.3° | 60.0° |
| OB0 | CA9 | CD2 | H14 | 120.9° | 120.0° |
| OB0 | CA9 | CD2 | OD3 | 64.0° | 65.0° |
| OB0 | CA9 | CA8 | H12 | 44.5° | 55.0° |
| OB0 | CA9 | CA8 | H13 | 76.3° | 175.0° |
| OB0 | CA9 | CD2 | H46 | 55.9° | 55.0° |
| OB0 | CA9 | CD2 | H47 | 176.0° | 175.0° |
| CA9 | CD2 | OD3 | H46 | 120.0° | 120.0° |
| CA9 | CD2 | OD3 | H47 | 120.0° | 120.0° |
| CA9 | CD2 | OD3 | CD4 | 158.6° | 180.0° |
| CD2 | CA9 | CA8 | H12 | 73.1° | 175.0° |
| CD2 | CA9 | CA8 | H13 | 166.1° | 65.0° |
| CA9 | CD2 | H46 | H47 | 120.1° | 120.0° |
| CB2 | CB3 | CB4 | H17 | 120.6° | 120.1° |
| CB2 | CB3 | CB4 | H18 | 120.6° | 120.0° |
| CB2 | CB3 | CB4 | CB5 | 49.7° | 179.9° |
| CB3 | CB2 | H15 | H16 | 119.3° | 120.0° |
| CB2 | CB3 | H17 | H18 | 118.1° | 120.0° |
| CB2 | CB3 | CB4 | H19 | 169.9° | 59.9° |
| CB2 | CB3 | CB4 | H20 | 70.6° | 60.0° |
| CB3 | CB4 | CB5 | H19 | 120.3° | 120.0° |
| CB3 | CB4 | CB5 | H20 | 120.2° | 120.0° |
| CB3 | CB4 | CB5 | CB6 | 108.5° | 127.7° |
| CB4 | CB3 | CB2 | H15 | 35.9° | 60.0° |
| CB4 | CB3 | CB2 | H16 | 155.4° | 60.0° |
| CB4 | CB3 | H17 | H18 | 118.1° | 119.9° |
| CB3 | CB4 | H19 | H20 | 119.3° | 119.9° |
| CB3 | CB4 | CB5 | H21 | 71.5° | 52.4° |
| CD2 | OD3 | CD4 | CD5 | 134.6° | 180.0° |
| OD3 | CD2 | CA9 | H14 | 175.0° | 175.0° |
| OD3 | CD2 | H46 | H47 | 120.1° | 120.0° |
| CD2 | OD3 | CD4 | H48 | 14.7° | 60.0° |
| CD2 | OD3 | CD4 | H49 | 105.5° | 60.0° |
| CB4 | CB5 | CB6 | H21 | 180.0° | 180.0° |
| CB4 | CB5 | CB6 | CB7 | 2.8° | 7.2° |
| CB5 | CB4 | CB3 | H17 | 71.0° | 60.0° |
| CB5 | CB4 | CB3 | H18 | 170.3° | 60.0° |
| CB5 | CB4 | H19 | H20 | 119.3° | 120.0° |
| CB4 | CB5 | CB6 | H22 | 177.2° | 172.7° |
| OD3 | CD4 | CD5 | H48 | 119.9° | 120.0° |
| OD3 | CD4 | CD5 | H49 | 119.9° | 120.0° |
| OD3 | CD4 | CD5 | CD6 | 139.2° | 180.0° |
| CD4 | OD3 | CD2 | H46 | 38.6° | 60.0° |
| CD4 | OD3 | CD2 | H47 | 81.4° | 60.0° |
| OD3 | CD4 | H48 | H49 | 120.4° | 120.0° |
| OD3 | CD4 | CD5 | H50 | 18.6° | 60.0° |
| OD3 | CD4 | CD5 | H51 | 100.3° | 60.0° |
| CD0 | CC9 | CC8 | CC7 | 85.0° | 180.0° |
| CD0 | CC9 | CC8 | H41 | 120.3° | 119.9° |
| CD0 | CC9 | CC8 | H42 | 120.3° | 120.0° |
| CD0 | CC9 | CC8 | H39 | 35.7° | 60.1° |
| CD0 | CC9 | CC8 | H40 | 154.3° | 60.0° |
| CD0 | CC9 | H41 | H42 | 119.0° | 120.0° |
| CC9 | CD0 | H43 | H44 | 120.0° | 119.9° |
| CC9 | CD0 | H43 | H45 | 120.0° | 120.0° |
| CC9 | CD0 | H44 | H45 | 120.0° | 120.0° |
| CB5 | CB6 | CB7 | H22 | 180.0° | 179.9° |
| CB5 | CB6 | CB7 | CB8 | 141.4° | 126.4° |
| CB6 | CB5 | CB4 | H19 | 11.7° | 7.6° |
| CB6 | CB5 | CB4 | H20 | 131.3° | 112.3° |
| CB5 | CB6 | CB7 | H23 | 98.5° | 113.6° |
| CB5 | CB6 | CB7 | H24 | 21.2° | 6.4° |
| CC8 | CC7 | CC6 | H37 | 120.5° | 120.0° |
| CC8 | CC7 | CC6 | H38 | 120.6° | 120.1° |
| CC7 | CC8 | CC9 | H39 | 120.7° | 119.9° |
| CC7 | CC8 | CC9 | H40 | 120.7° | 120.0° |
| CC8 | CC7 | CC6 | CC5 | 99.3° | 180.0° |
| CC8 | CC7 | CC6 | H35 | 140.4° | 60.0° |
| CC8 | CC7 | CC6 | H36 | 21.0° | 59.9° |
| CC8 | CC7 | H37 | H38 | 118.3° | 120.0° |
| CC7 | CC8 | H39 | H40 | 117.8° | 120.0° |
| CC7 | CC8 | CC9 | H41 | 35.3° | 60.1° |
| CC7 | CC8 | CC9 | H42 | 154.6° | 60.0° |
| CC6 | CC7 | CC8 | CC9 | 95.4° | 180.0° |
| CC7 | CC6 | CC5 | H35 | 120.3° | 120.0° |
| CC7 | CC6 | CC5 | H36 | 120.3° | 120.0° |
| CC7 | CC6 | CC5 | CC4 | 146.3° | 127.6° |
| CC7 | CC6 | CC5 | H34 | 33.7° | 52.4° |
| CC7 | CC6 | H35 | H36 | 119.2° | 119.9° |
| CC6 | CC7 | H37 | H38 | 118.2° | 120.0° |
| CC6 | CC7 | CC8 | H39 | 143.9° | 60.0° |
| CC6 | CC7 | CC8 | H40 | 25.3° | 60.0° |
| CC9 | CC8 | CC7 | H37 | 144.0° | 60.1° |
| CC9 | CC8 | CC7 | H38 | 25.2° | 59.9° |
| CC9 | CC8 | H39 | H40 | 117.9° | 120.1° |
| CC8 | CC9 | H41 | H42 | 119.0° | 120.1° |
| CC8 | CC9 | CD0 | H43 | 180.0° | 180.0° |
| CC8 | CC9 | CD0 | H44 | 60.0° | 60.1° |
| CC8 | CC9 | CD0 | H45 | 60.0° | 59.9° |
| CD4 | CD5 | CD6 | H50 | 120.6° | 120.0° |
| CD4 | CD5 | CD6 | H51 | 120.5° | 120.0° |
| CD4 | CD5 | CD6 | CD7 | 111.8° | 180.0° |
| CD5 | CD4 | H48 | H49 | 120.4° | 120.0° |
| CD4 | CD5 | H50 | H51 | 118.3° | 120.0° |
| CD4 | CD5 | CD6 | H52 | 8.8° | 60.0° |
| CD4 | CD5 | CD6 | H53 | 127.5° | 60.0° |
| CB6 | CB7 | CB8 | H23 | 120.2° | 120.0° |
| CB6 | CB7 | CB8 | H24 | 120.1° | 120.0° |
| CB6 | CB7 | CB8 | CB9 | 150.4° | 127.6° |
| CB7 | CB6 | CB5 | H21 | 177.2° | 172.7° |
| CB6 | CB7 | H23 | H24 | 119.5° | 120.0° |
| CB6 | CB7 | CB8 | H25 | 29.6° | 52.3° |
| CB7 | CB8 | CB9 | CC0 | 3.2° | 7.3° |
| CB7 | CB8 | CB9 | H25 | 180.0° | 180.0° |
| CB8 | CB7 | CB6 | H22 | 38.6° | 53.6° |
| CB8 | CB7 | H23 | H24 | 119.5° | 120.0° |
| CB7 | CB8 | CB9 | H26 | 176.8° | 172.7° |
| CC6 | CC5 | CC4 | H34 | 180.0° | 180.0° |
| CC6 | CC5 | CC4 | CC3 | 1.2° | 7.3° |
| CC6 | CC5 | CC4 | H33 | 178.8° | 172.7° |
| CC5 | CC6 | H35 | H36 | 119.2° | 120.0° |
| CC5 | CC6 | CC7 | H37 | 21.2° | 60.0° |
| CC5 | CC6 | CC7 | H38 | 140.1° | 60.0° |
| CC5 | CC4 | CC3 | H33 | 180.0° | 180.0° |
| CC5 | CC4 | CC3 | CC2 | 140.7° | 126.4° |
| CC5 | CC4 | CC3 | H31 | 100.0° | 6.4° |
| CC5 | CC4 | CC3 | H32 | 21.4° | 113.6° |
| CC4 | CC5 | CC6 | H35 | 26.0° | 112.4° |
| CC4 | CC5 | CC6 | H36 | 93.4° | 7.6° |
| CD5 | CD6 | CD7 | H52 | 120.6° | 120.0° |
| CD5 | CD6 | CD7 | H53 | 120.6° | 120.0° |
| CD5 | CD6 | CD7 | CD8 | 97.9° | 180.0° |
| CD6 | CD5 | CD4 | H48 | 100.9° | 60.0° |
| CD6 | CD5 | CD4 | H49 | 19.3° | 60.0° |
| CD6 | CD5 | H50 | H51 | 118.3° | 120.1° |
| CD5 | CD6 | H52 | H53 | 118.1° | 120.1° |
| CD5 | CD6 | CD7 | H54 | 22.8° | 60.0° |
| CD5 | CD6 | CD7 | H55 | 141.4° | 60.0° |
| CC4 | CC3 | CC2 | H31 | 119.3° | 120.0° |
| CC4 | CC3 | CC2 | H32 | 119.3° | 120.0° |
| CC4 | CC3 | CC2 | CC1 | 117.3° | 126.8° |
| CC4 | CC3 | CC2 | H30 | 62.7° | 53.2° |
| CC4 | CC3 | H31 | H32 | 122.1° | 120.0° |
| CC3 | CC4 | CC5 | H34 | 178.8° | 172.7° |
| CC3 | CC2 | CC1 | CC0 | 1.3° | 7.9° |
| CC3 | CC2 | CC1 | H30 | 180.0° | 180.0° |
| CC3 | CC2 | CC1 | H29 | 178.6° | 172.2° |
| CC2 | CC3 | H31 | H32 | 122.2° | 119.9° |
| CC2 | CC3 | CC4 | H33 | 39.4° | 53.6° |
| CB9 | CC0 | CC1 | H27 | 119.8° | 120.0° |
| CB9 | CC0 | CC1 | H28 | 119.8° | 119.9° |
| CC0 | CB9 | CB8 | H26 | 180.0° | 180.0° |
| CB9 | CC0 | CC1 | CC2 | 163.9° | 126.8° |
| CC0 | CB9 | CB8 | H25 | 176.8° | 172.7° |
| CB9 | CC0 | H27 | H28 | 120.5° | 119.9° |
| CB9 | CC0 | CC1 | H29 | 16.1° | 53.1° |
| CC1 | CC0 | CB9 | CB8 | 144.3° | 126.3° |
| CC0 | CC1 | CC2 | H29 | 180.0° | 179.9° |
| CC1 | CC0 | CB9 | H26 | 35.7° | 53.7° |
| CC1 | CC0 | H27 | H28 | 120.5° | 120.0° |
| CC0 | CC1 | CC2 | H30 | 178.6° | 172.1° |
| CB9 | CB8 | CB7 | H23 | 30.3° | 7.6° |
| CB9 | CB8 | CB7 | H24 | 89.4° | 112.4° |
| CB8 | CB9 | CC0 | H27 | 95.9° | 113.6° |
| CB8 | CB9 | CC0 | H28 | 24.5° | 6.4° |
| CD6 | CD7 | CD8 | H54 | 120.7° | 120.0° |
| CD6 | CD7 | CD8 | H55 | 120.7° | 120.0° |
| CD6 | CD7 | CD8 | CD9 | 102.2° | 180.0° |
| CD7 | CD6 | CD5 | H50 | 127.6° | 60.0° |
| CD7 | CD6 | CD5 | H51 | 8.7° | 60.0° |
| CD7 | CD6 | H52 | H53 | 118.2° | 120.0° |
| CD6 | CD7 | H54 | H55 | 117.9° | 120.1° |
| CD6 | CD7 | CD8 | H56 | 137.1° | 60.0° |
| CD6 | CD7 | CD8 | H57 | 18.5° | 60.0° |
| CC2 | CC1 | CC0 | H27 | 44.1° | 6.8° |
| CC2 | CC1 | CC0 | H28 | 76.3° | 113.3° |
| CC1 | CC2 | CC3 | H31 | 2.0° | 113.2° |
| CC1 | CC2 | CC3 | H32 | 123.5° | 6.7° |
| CD7 | CD8 | CD9 | H56 | 120.7° | 120.0° |
| CD7 | CD8 | CD9 | H57 | 120.7° | 120.0° |
| CD7 | CD8 | CD9 | CE0 | 155.6° | 180.0° |
| CD8 | CD7 | CD6 | H52 | 141.5° | 60.0° |
| CD8 | CD7 | CD6 | H53 | 22.7° | 60.0° |
| CD8 | CD7 | H54 | H55 | 117.8° | 119.9° |
| CD7 | CD8 | H56 | H57 | 117.9° | 119.9° |
| CD7 | CD8 | CD9 | H58 | 83.8° | 60.0° |
| CD7 | CD8 | CD9 | H59 | 35.0° | 60.0° |
| CD8 | CD9 | CE0 | H58 | 120.6° | 120.0° |
| CD8 | CD9 | CE0 | H59 | 120.6° | 120.0° |
| CD8 | CD9 | CE0 | CE1 | 85.7° | 180.0° |
| CD9 | CD8 | CD7 | H54 | 18.5° | 60.0° |
| CD9 | CD8 | CD7 | H55 | 137.1° | 60.0° |
| CD9 | CD8 | H56 | H57 | 117.9° | 120.0° |
| CD8 | CD9 | H58 | H59 | 118.2° | 120.0° |
| CD8 | CD9 | CE0 | H60 | 34.9° | 60.0° |
| CD8 | CD9 | CE0 | H61 | 153.7° | 59.9° |
| CD9 | CE0 | CE1 | H60 | 120.6° | 119.9° |
| CD9 | CE0 | CE1 | H61 | 120.6° | 120.0° |
| CD9 | CE0 | CE1 | CE2 | 151.6° | 180.0° |
| CE0 | CD9 | CD8 | H56 | 34.9° | 60.1° |
| CE0 | CD9 | CD8 | H57 | 83.7° | 60.0° |
| CE0 | CD9 | H58 | H59 | 118.2° | 120.0° |
| CD9 | CE0 | H60 | H61 | 118.2° | 120.0° |
| CD9 | CE0 | CE1 | H62 | 31.0° | 60.0° |
| CD9 | CE0 | CE1 | H63 | 87.8° | 59.9° |
| CE0 | CE1 | CE2 | H62 | 120.6° | 119.9° |
| CE0 | CE1 | CE2 | H63 | 120.6° | 120.0° |
| CE0 | CE1 | CE2 | CE3 | 103.3° | 180.0° |
| CE1 | CE0 | CD9 | H58 | 153.7° | 60.1° |
| CE1 | CE0 | CD9 | H59 | 34.8° | 60.0° |
| CE1 | CE0 | H60 | H61 | 118.2° | 120.1° |
| CE0 | CE1 | H62 | H63 | 118.1° | 120.0° |
| CE0 | CE1 | CE2 | H64 | 17.3° | 60.0° |
| CE0 | CE1 | CE2 | H65 | 136.1° | 60.0° |
| CE1 | CE2 | CE3 | H64 | 120.6° | 120.0° |
| CE1 | CE2 | CE3 | H65 | 120.6° | 119.9° |
| CE1 | CE2 | CE3 | CE4 | 46.7° | 180.0° |
| CE2 | CE1 | CE0 | H60 | 87.8° | 60.0° |
| CE2 | CE1 | CE0 | H61 | 31.1° | 60.0° |
| CE2 | CE1 | H62 | H63 | 118.1° | 120.1° |
| CE1 | CE2 | H64 | H65 | 118.1° | 120.0° |
| CE1 | CE2 | CE3 | H66 | 73.9° | 60.0° |
| CE1 | CE2 | CE3 | H67 | 167.3° | 60.0° |
| CE2 | CE3 | CE4 | H66 | 120.6° | 120.0° |
| CE2 | CE3 | CE4 | H67 | 120.6° | 120.0° |
| CE2 | CE3 | CE4 | CE5 | 159.2° | 180.0° |
| CE3 | CE2 | CE1 | H62 | 136.1° | 60.0° |
| CE3 | CE2 | CE1 | H63 | 17.3° | 60.0° |
| CE3 | CE2 | H64 | H65 | 118.2° | 120.0° |
| CE2 | CE3 | H66 | H67 | 118.1° | 120.0° |
| CE2 | CE3 | CE4 | H68 | 80.1° | 60.0° |
| CE2 | CE3 | CE4 | H69 | 38.5° | 60.0° |
| CE3 | CE4 | CE5 | H68 | 120.7° | 120.0° |
| CE3 | CE4 | CE5 | H69 | 120.7° | 120.0° |
| CE3 | CE4 | CE5 | CE6 | 116.1° | 180.0° |
| CE4 | CE3 | CE2 | H64 | 167.3° | 60.0° |
| CE4 | CE3 | CE2 | H65 | 73.9° | 60.1° |
| CE4 | CE3 | H66 | H67 | 118.1° | 120.1° |
| CE3 | CE4 | H68 | H69 | 117.9° | 120.1° |
| CE3 | CE4 | CE5 | H70 | 123.2° | 60.0° |
| CE3 | CE4 | CE5 | H71 | 4.5° | 60.0° |
| CE4 | CE5 | CE6 | H70 | 120.6° | 120.0° |
| CE4 | CE5 | CE6 | H71 | 120.6° | 120.0° |
| CE4 | CE5 | CE6 | CE7 | 118.7° | 180.0° |
| CE5 | CE4 | CE3 | H66 | 38.6° | 60.0° |
| CE5 | CE4 | CE3 | H67 | 80.2° | 60.0° |
| CE5 | CE4 | H68 | H69 | 117.9° | 120.0° |
| CE4 | CE5 | H70 | H71 | 117.9° | 120.1° |
| CE4 | CE5 | CE6 | H72 | 1.9° | 60.0° |
| CE4 | CE5 | CE6 | H73 | 120.7° | 60.0° |
| CE5 | CE6 | CE7 | H72 | 120.6° | 120.0° |
| CE5 | CE6 | CE7 | H73 | 120.6° | 120.0° |
| CE5 | CE6 | CE7 | CE8 | 146.4° | 180.0° |
| CE6 | CE5 | CE4 | H68 | 4.6° | 60.0° |
| CE6 | CE5 | CE4 | H69 | 123.2° | 60.0° |
| CE6 | CE5 | H70 | H71 | 118.0° | 119.9° |
| CE5 | CE6 | H72 | H73 | 118.0° | 120.0° |
| CE5 | CE6 | CE7 | H74 | 25.6° | 60.0° |
| CE5 | CE6 | CE7 | H75 | 92.9° | 60.1° |
| CE6 | CE7 | CE8 | H74 | 120.7° | 120.0° |
| CE6 | CE7 | CE8 | H75 | 120.7° | 120.0° |
| CE6 | CE7 | CE8 | CE9 | 92.0° | 180.0° |
| CE7 | CE6 | CE5 | H70 | 120.6° | 60.0° |
| CE7 | CE6 | CE5 | H71 | 1.9° | 60.0° |
| CE7 | CE6 | H72 | H73 | 118.0° | 120.0° |
| CE6 | CE7 | H74 | H75 | 117.8° | 120.1° |
| CE6 | CE7 | CE8 | H76 | 147.3° | 60.0° |
| CE6 | CE7 | CE8 | H77 | 28.7° | 60.0° |
| CE7 | CE8 | CE9 | H76 | 120.7° | 120.0° |
| CE7 | CE8 | CE9 | H77 | 120.7° | 120.0° |
| CE7 | CE8 | CE9 | CF0 | 141.1° | 180.0° |
| CE8 | CE7 | CE6 | H72 | 93.0° | 60.0° |
| CE8 | CE7 | CE6 | H73 | 25.8° | 60.0° |
| CE8 | CE7 | H74 | H75 | 117.8° | 119.9° |
| CE7 | CE8 | H76 | H77 | 117.8° | 119.9° |
| CE7 | CE8 | CE9 | H78 | 98.2° | 60.0° |
| CE7 | CE8 | CE9 | H79 | 20.4° | 60.0° |
| CE8 | CE9 | CF0 | H78 | 120.7° | 120.0° |
| CE8 | CE9 | CF0 | H79 | 120.7° | 120.1° |
| CE8 | CE9 | CF0 | CF1 | 145.3° | 180.0° |
| CE9 | CE8 | CE7 | H74 | 28.7° | 60.0° |
| CE9 | CE8 | CE7 | H75 | 147.3° | 60.0° |
| CE9 | CE8 | H76 | H77 | 117.8° | 120.0° |
| CE8 | CE9 | H78 | H79 | 117.8° | 120.0° |
| CE8 | CE9 | CF0 | H80 | 94.2° | 60.0° |
| CE8 | CE9 | CF0 | H81 | 24.7° | 59.9° |
| CE9 | CF0 | CF1 | H80 | 120.5° | 119.9° |
| CE9 | CF0 | CF1 | H81 | 120.6° | 120.0° |
| CF0 | CE9 | CE8 | H76 | 20.4° | 60.1° |
| CF0 | CE9 | CE8 | H77 | 98.2° | 60.0° |
| CF0 | CE9 | H78 | H79 | 117.8° | 120.0° |
| CE9 | CF0 | H80 | H81 | 118.3° | 120.0° |
| CE9 | CF0 | CF1 | H82 | 180.0° | 60.0° |
| CE9 | CF0 | CF1 | H83 | 60.0° | 59.9° |
| CE9 | CF0 | CF1 | H84 | 60.0° | 180.0° |
| CF1 | CF0 | CE9 | H78 | 24.6° | 60.0° |
| CF1 | CF0 | CE9 | H79 | 94.0° | 59.9° |
| CF1 | CF0 | H80 | H81 | 118.3° | 120.1° |
| CF0 | CF1 | H82 | H83 | 120.0° | 120.0° |
| CF0 | CF1 | H82 | H84 | 120.0° | 120.0° |
| CF0 | CF1 | H83 | H84 | 120.0° | 120.0° |
| H1 | C2 | O1 | H5 | 61.0° | 60.0° |
| H1 | C2 | C3 | H6 | 56.8° | 60.0° |
| H1 | C2 | C5 | H8 | 174.6° | 179.9° |
| H2 | C7 | O8 | H3 | 60.7° | 60.0° |
| H2 | C7 | C9 | H4 | 178.0° | 180.0° |
| H2 | C7 | C5 | H8 | 175.6° | 180.0° |
| H4 | C9 | O10 | H10 | 61.2° | 60.0° |
| H4 | C9 | CA4 | H11 | 178.6° | NaN° |
| H6 | C3 | O4 | H7 | 59.7° | 60.0° |
| H6 | C3 | CA4 | H11 | 61.2° | 60.0° |
| H8 | C5 | O6 | H9 | 61.2° | 60.0° |
| H12 | CA8 | CA9 | H14 | 165.1° | 65.0° |
| H13 | CA8 | CA9 | H14 | 44.3° | 55.0° |
| H14 | CA9 | CD2 | H46 | 65.0° | 65.0° |
| H14 | CA9 | CD2 | H47 | 55.1° | 55.0° |
| H15 | CB2 | CB3 | H17 | 84.8° | 180.0° |
| H15 | CB2 | CB3 | H18 | 156.5° | 60.0° |
| H16 | CB2 | CB3 | H17 | 34.8° | 60.0° |
| H16 | CB2 | CB3 | H18 | 84.0° | 180.0° |
| H17 | CB3 | CB4 | H19 | 49.3° | 180.0° |
| H17 | CB3 | CB4 | H20 | 168.8° | 60.0° |
| H18 | CB3 | CB4 | H19 | 69.5° | 60.0° |
| H18 | CB3 | CB4 | H20 | 50.0° | 180.0° |
| H19 | CB4 | CB5 | H21 | 168.3° | 172.4° |
| H20 | CB4 | CB5 | H21 | 48.8° | 67.6° |
| H21 | CB5 | CB6 | H22 | 2.8° | 7.3° |
| H22 | CB6 | CB7 | H23 | 81.5° | 66.3° |
| H22 | CB6 | CB7 | H24 | 158.8° | 173.7° |
| H23 | CB7 | CB8 | H25 | 149.7° | 172.3° |
| H24 | CB7 | CB8 | H25 | 90.6° | 67.7° |
| H25 | CB8 | CB9 | H26 | 3.2° | 7.3° |
| H26 | CB9 | CC0 | H27 | 84.1° | 66.4° |
| H26 | CB9 | CC0 | H28 | 155.5° | 173.7° |
| H27 | CC0 | CC1 | H29 | 135.9° | 173.2° |
| H28 | CC0 | CC1 | H29 | 103.7° | 66.8° |
| H29 | CC1 | CC2 | H30 | 1.4° | 7.8° |
| H30 | CC2 | CC3 | H31 | 178.0° | 66.8° |
| H30 | CC2 | CC3 | H32 | 56.5° | 173.3° |
| H31 | CC3 | CC4 | H33 | 79.9° | 173.6° |
| H32 | CC3 | CC4 | H33 | 158.7° | 66.4° |
| H33 | CC4 | CC5 | H34 | 1.2° | 7.3° |
| H34 | CC5 | CC6 | H35 | 154.0° | 67.6° |
| H34 | CC5 | CC6 | H36 | 86.5° | 172.4° |
| H35 | CC6 | CC7 | H37 | 99.1° | 180.0° |
| H35 | CC6 | CC7 | H38 | 19.8° | 60.0° |
| H36 | CC6 | CC7 | H37 | 141.5° | 60.1° |
| H36 | CC6 | CC7 | H38 | 99.6° | 180.0° |
| H37 | CC7 | CC8 | H39 | 23.4° | 180.0° |
| H37 | CC7 | CC8 | H40 | 95.2° | 60.0° |
| H38 | CC7 | CC8 | H39 | 95.5° | 60.0° |
| H38 | CC7 | CC8 | H40 | 145.9° | 180.0° |
| H39 | CC8 | CC9 | H41 | 156.0° | 180.0° |
| H39 | CC8 | CC9 | H42 | 84.7° | 60.0° |
| H40 | CC8 | CC9 | H41 | 85.4° | 60.0° |
| H40 | CC8 | CC9 | H42 | 33.9° | 180.0° |
| H41 | CC9 | CD0 | H43 | 59.7° | 60.0° |
| H41 | CC9 | CD0 | H44 | 60.3° | 180.0° |
| H41 | CC9 | CD0 | H45 | 179.7° | 60.0° |
| H42 | CC9 | CD0 | H43 | 59.7° | 60.0° |
| H42 | CC9 | CD0 | H44 | 179.7° | 60.0° |
| H42 | CC9 | CD0 | H45 | 60.3° | NaN° |
| H43 | CD0 | H44 | H45 | 120.0° | 120.0° |
| H48 | CD4 | CD5 | H50 | 138.5° | 180.0° |
| H48 | CD4 | CD5 | H51 | 19.6° | 60.0° |
| H49 | CD4 | CD5 | H50 | 101.2° | 60.0° |
| H49 | CD4 | CD5 | H51 | 139.8° | 180.0° |
| H50 | CD5 | CD6 | H52 | 111.8° | 180.0° |
| H50 | CD5 | CD6 | H53 | 7.0° | 59.9° |
| H51 | CD5 | CD6 | H52 | 129.3° | 59.9° |
| H51 | CD5 | CD6 | H53 | 111.9° | 180.0° |
| H52 | CD6 | CD7 | H54 | 97.8° | 180.0° |
| H52 | CD6 | CD7 | H55 | 20.8° | 60.0° |
| H53 | CD6 | CD7 | H54 | 143.4° | 60.0° |
| H53 | CD6 | CD7 | H55 | 98.0° | 180.0° |
| H54 | CD7 | CD8 | H56 | 102.2° | 180.0° |
| H54 | CD7 | CD8 | H57 | 139.2° | 60.0° |
| H55 | CD7 | CD8 | H56 | 16.4° | 60.0° |
| H55 | CD7 | CD8 | H57 | 102.2° | 180.0° |
| H56 | CD8 | CD9 | H58 | 155.5° | 180.0° |
| H56 | CD8 | CD9 | H59 | 85.7° | 60.0° |
| H57 | CD8 | CD9 | H58 | 36.9° | 60.0° |
| H57 | CD8 | CD9 | H59 | 155.7° | 180.0° |
| H58 | CD9 | CE0 | H60 | 85.7° | 180.0° |
| H58 | CD9 | CE0 | H61 | 33.1° | 60.0° |
| H59 | CD9 | CE0 | H60 | 155.4° | 60.0° |
| H59 | CD9 | CE0 | H61 | 85.7° | 180.0° |
| H60 | CE0 | CE1 | H62 | 151.6° | 180.0° |
| H60 | CE0 | CE1 | H63 | 32.8° | 60.0° |
| H61 | CE0 | CE1 | H62 | 89.5° | 60.0° |
| H61 | CE0 | CE1 | H63 | 151.7° | 180.0° |
| H62 | CE1 | CE2 | H64 | 103.3° | 180.0° |
| H62 | CE1 | CE2 | H65 | 15.5° | 59.9° |
| H63 | CE1 | CE2 | H64 | 137.9° | 60.0° |
| H63 | CE1 | CE2 | H65 | 103.3° | 180.0° |
| H64 | CE2 | CE3 | H66 | 46.7° | 180.0° |
| H64 | CE2 | CE3 | H67 | 72.1° | 60.0° |
| H65 | CE2 | CE3 | H66 | 165.5° | 60.0° |
| H65 | CE2 | CE3 | H67 | 46.7° | 179.9° |
| H66 | CE3 | CE4 | H68 | 159.3° | 180.0° |
| H66 | CE3 | CE4 | H69 | 82.1° | 59.9° |
| H67 | CE3 | CE4 | H68 | 40.5° | 59.9° |
| H67 | CE3 | CE4 | H69 | 159.1° | 180.0° |
| H68 | CE4 | CE5 | H70 | 116.1° | 180.0° |
| H68 | CE4 | CE5 | H71 | 125.2° | 60.0° |
| H69 | CE4 | CE5 | H70 | 2.5° | 60.0° |
| H69 | CE4 | CE5 | H71 | 116.2° | 180.0° |
| H70 | CE5 | CE6 | H72 | 118.7° | 180.0° |
| H70 | CE5 | CE6 | H73 | 0.0° | 60.0° |
| H71 | CE5 | CE6 | H72 | 122.6° | 60.0° |
| H71 | CE5 | CE6 | H73 | 118.7° | 180.0° |
| H72 | CE6 | CE7 | H74 | 146.3° | 180.0° |
| H72 | CE6 | CE7 | H75 | 27.7° | 59.9° |
| H73 | CE6 | CE7 | H74 | 95.0° | 60.0° |
| H73 | CE6 | CE7 | H75 | 146.5° | 179.9° |
| H74 | CE7 | CE8 | H76 | 92.0° | 180.0° |
| H74 | CE7 | CE8 | H77 | 149.5° | 60.0° |
| H75 | CE7 | CE8 | H76 | 26.6° | 60.0° |
| H75 | CE7 | CE8 | H77 | 91.9° | 180.0° |
| H76 | CE8 | CE9 | H78 | 141.2° | 179.9° |
| H76 | CE8 | CE9 | H79 | 100.3° | 60.0° |
| H77 | CE8 | CE9 | H78 | 22.6° | 60.1° |
| H77 | CE8 | CE9 | H79 | 141.1° | 180.0° |
| H78 | CE9 | CF0 | H80 | 145.1° | 180.0° |
| H78 | CE9 | CF0 | H81 | 96.0° | 60.1° |
| H79 | CE9 | CF0 | H80 | 26.5° | 60.0° |
| H79 | CE9 | CF0 | H81 | 145.4° | 180.0° |
| H80 | CF0 | CF1 | H82 | 59.5° | 180.0° |
| H80 | CF0 | CF1 | H83 | 179.4° | 60.0° |
| H80 | CF0 | CF1 | H84 | 60.5° | 60.1° |
| H81 | CF0 | CF1 | H82 | 59.4° | 60.0° |
| H81 | CF0 | CF1 | H83 | 60.5° | 180.0° |
| H81 | CF0 | CF1 | H84 | 179.4° | 60.0° |
| H82 | CF1 | H83 | H84 | 120.0° | 120.0° |
