K33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | P41 | doub | 1.48Å | 1.51Å | |
| O40 | C39 | sing | 1.43Å | 1.41Å | |
| O40 | P41 | sing | 1.61Å | 1.66Å | |
| C45 | C39 | sing | 1.53Å | 1.54Å | |
| C45 | C63 | sing | 1.53Å | 1.48Å | |
| C39 | O38 | sing | 1.43Å | 1.49Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| P41 | O43 | sing | 1.61Å | 1.51Å | |
| P41 | O44 | sing | 1.61Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.59Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.62Å | |
| C63 | C81 | sing | 1.53Å | 1.48Å | |
| O38 | C37 | sing | 1.43Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C20 | C19 | sing | 1.53Å | 1.61Å | |
| C81 | C37 | sing | 1.53Å | 1.54Å | |
| C81 | O82 | sing | 1.43Å | 1.42Å | |
| C37 | C36 | sing | 1.53Å | 1.61Å | |
| C17 | C29 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| O31 | C30 | doub | 1.21Å | 1.19Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C30 | N32 | sing | 1.35Å | 1.43Å | |
| C36 | O35 | sing | 1.43Å | 1.48Å | |
| O35 | C34 | sing | 1.43Å | 1.43Å | |
| N32 | C33 | sing | 1.47Å | 1.45Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C34 | O83 | sing | 1.43Å | 1.47Å | |
| C33 | C93 | sing | 1.53Å | 1.47Å | |
| O83 | C84 | sing | 1.43Å | 1.47Å | |
| C93 | O94 | sing | 1.43Å | 1.36Å | |
| C93 | C87 | sing | 1.53Å | 1.46Å | |
| C84 | C87 | sing | 1.53Å | 1.55Å | |
| C84 | C85 | sing | 1.53Å | 1.56Å | |
| C87 | O88 | sing | 1.43Å | 1.44Å | |
| O92 | P89 | doub | 1.48Å | 1.52Å | |
| C85 | O86 | sing | 1.43Å | 1.38Å | |
| O88 | P89 | sing | 1.61Å | 1.65Å | |
| O91 | P89 | sing | 1.61Å | 1.49Å | |
| P89 | O90 | sing | 1.61Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C45 | H2 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C63 | H3 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C84 | H841 | sing | 1.09Å | 1.10Å | |
| C85 | H852 | sing | 1.09Å | 1.10Å | |
| C85 | H851 | sing | 1.09Å | 1.10Å | |
| C87 | H871 | sing | 1.09Å | 1.10Å | |
| C93 | H931 | sing | 1.09Å | 1.10Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| O43 | H4 | sing | 0.97Å | 0.95Å | |
| O44 | H5 | sing | 0.97Å | 0.95Å | |
| O82 | H821 | sing | 0.97Å | 0.95Å | |
| O86 | H861 | sing | 0.97Å | 0.95Å | |
| O90 | H6 | sing | 0.97Å | 0.95Å | |
| O91 | H7 | sing | 0.97Å | 0.95Å | |
| O94 | H941 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | P41 | O40 | 109.2° | 109.5° |
| O42 | P41 | O43 | 109.8° | 109.4° |
| O42 | P41 | O44 | 108.7° | 109.5° |
| C39 | O40 | P41 | 119.2° | 123.0° |
| O40 | C39 | C45 | 107.6° | 109.5° |
| O40 | C39 | O38 | 108.9° | 109.5° |
| O40 | C39 | H391 | 109.7° | 109.4° |
| O40 | P41 | O43 | 109.5° | 109.5° |
| O40 | P41 | O44 | 110.0° | 109.5° |
| C39 | C45 | C63 | 112.2° | 109.2° |
| C45 | C39 | O38 | 114.0° | 109.4° |
| C45 | C39 | H391 | 108.0° | 109.5° |
| C39 | C45 | H2 | 108.8° | 109.5° |
| C39 | C45 | H451 | 108.8° | 109.5° |
| C45 | C63 | C81 | 108.3° | 109.0° |
| C63 | C45 | H2 | 108.8° | 109.5° |
| C63 | C45 | H451 | 108.8° | 109.5° |
| C45 | C63 | H3 | 109.8° | 109.6° |
| C45 | C63 | H631 | 109.8° | 109.6° |
| C39 | O38 | C37 | 113.1° | 114.1° |
| O38 | C39 | H391 | 108.6° | 109.5° |
| C28 | C27 | C26 | 113.8° | 109.4° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| C28 | C27 | H271 | 108.4° | 109.4° |
| C28 | C27 | H272 | 108.4° | 109.4° |
| C27 | C26 | C25 | 113.1° | 109.5° |
| C27 | C26 | H261 | 108.6° | 109.5° |
| C27 | C26 | H262 | 108.6° | 109.5° |
| C26 | C27 | H271 | 108.4° | 109.5° |
| C26 | C27 | H272 | 108.4° | 109.5° |
| O43 | P41 | O44 | 109.6° | 109.4° |
| P41 | O43 | H4 | 109.5° | 114.0° |
| P41 | O44 | H5 | 109.5° | 114.0° |
| C22 | C23 | C24 | 112.0° | 109.5° |
| C23 | C22 | C21 | 114.3° | 109.4° |
| C23 | C22 | H221 | 108.3° | 109.5° |
| C23 | C22 | H222 | 108.2° | 109.4° |
| C22 | C23 | H232 | 108.8° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C23 | C24 | C25 | 111.5° | 109.5° |
| C23 | C24 | H241 | 109.0° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C24 | C23 | H232 | 108.8° | 109.5° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C24 | C25 | C26 | 111.1° | 109.5° |
| C25 | C24 | H241 | 109.0° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.4° |
| C24 | C25 | H251 | 109.0° | 109.5° |
| C24 | C25 | H252 | 109.1° | 109.4° |
| C25 | C26 | H261 | 108.6° | 109.5° |
| C25 | C26 | H262 | 108.6° | 109.5° |
| C26 | C25 | H251 | 109.1° | 109.5° |
| C26 | C25 | H252 | 109.1° | 109.5° |
| C22 | C21 | C20 | 108.7° | 109.4° |
| C22 | C21 | H211 | 109.7° | 109.5° |
| C22 | C21 | H212 | 109.7° | 109.5° |
| C21 | C22 | H221 | 108.3° | 109.5° |
| C21 | C22 | H222 | 108.2° | 109.5° |
| C63 | C81 | C37 | 109.4° | 109.2° |
| C63 | C81 | O82 | 108.7° | 109.5° |
| C81 | C63 | H3 | 109.8° | 109.5° |
| C81 | C63 | H631 | 109.7° | 109.5° |
| C63 | C81 | H811 | 110.0° | 109.5° |
| O38 | C37 | C81 | 108.3° | 109.4° |
| O38 | C37 | C36 | 110.1° | 109.4° |
| O38 | C37 | H371 | 110.7° | 109.5° |
| C21 | C20 | C19 | 114.7° | 109.5° |
| C21 | C20 | H201 | 108.1° | 109.5° |
| C21 | C20 | H202 | 108.1° | 109.5° |
| C20 | C21 | H211 | 109.7° | 109.5° |
| C20 | C21 | H212 | 109.7° | 109.4° |
| C20 | C19 | C18 | 110.1° | 109.5° |
| C19 | C20 | H201 | 108.2° | 109.4° |
| C19 | C20 | H202 | 108.1° | 109.5° |
| C20 | C19 | H191 | 109.3° | 109.5° |
| C20 | C19 | H192 | 109.3° | 109.5° |
| C37 | C81 | O82 | 108.6° | 109.6° |
| C81 | C37 | C36 | 108.9° | 109.5° |
| C81 | C37 | H371 | 109.9° | 109.5° |
| C37 | C81 | H811 | 109.2° | 109.5° |
| O82 | C81 | H811 | 110.9° | 109.6° |
| C81 | O82 | H821 | 109.5° | 114.0° |
| C37 | C36 | O35 | 109.9° | 109.5° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C37 | C36 | H361 | 109.4° | 109.5° |
| C36 | C37 | H371 | 109.0° | 109.5° |
| C29 | C17 | C18 | 113.4° | 109.5° |
| C17 | C29 | C30 | 111.3° | 109.4° |
| C29 | C17 | H171 | 108.5° | 109.5° |
| C29 | C17 | H1 | 108.5° | 109.5° |
| C17 | C29 | H291 | 109.0° | 109.4° |
| C17 | C29 | H292 | 109.0° | 109.5° |
| C17 | C18 | C19 | 110.4° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| C18 | C17 | H1 | 108.5° | 109.5° |
| C17 | C18 | H182 | 109.3° | 109.5° |
| C17 | C18 | H181 | 109.2° | 109.5° |
| O31 | C30 | C29 | 120.5° | 120.0° |
| O31 | C30 | N32 | 120.3° | 120.0° |
| C29 | C30 | N32 | 119.2° | 120.0° |
| C30 | C29 | H291 | 109.0° | 109.5° |
| C30 | C29 | H292 | 109.0° | 109.5° |
| C19 | C18 | H182 | 109.2° | 109.5° |
| C19 | C18 | H181 | 109.2° | 109.4° |
| C18 | C19 | H191 | 109.3° | 109.4° |
| C18 | C19 | H192 | 109.3° | 109.5° |
| C30 | N32 | C33 | 120.2° | 120.0° |
| C30 | N32 | H321 | 119.9° | 120.0° |
| C36 | O35 | C34 | 113.9° | 114.0° |
| O35 | C36 | H362 | 109.4° | 109.5° |
| O35 | C36 | H361 | 109.4° | 109.5° |
| O35 | C34 | C33 | 110.9° | 109.5° |
| O35 | C34 | O83 | 107.2° | 109.5° |
| O35 | C34 | H341 | 110.1° | 109.5° |
| N32 | C33 | C34 | 111.0° | 109.6° |
| N32 | C33 | C93 | 107.9° | 109.5° |
| N32 | C33 | H331 | 109.3° | 109.5° |
| C33 | N32 | H321 | 119.9° | 120.0° |
| C33 | C34 | O83 | 110.8° | 109.4° |
| C34 | C33 | C93 | 111.4° | 109.2° |
| C34 | C33 | H331 | 108.0° | 109.6° |
| C33 | C34 | H341 | 108.5° | 109.5° |
| C34 | O83 | C84 | 111.8° | 114.1° |
| O83 | C34 | H341 | 109.4° | 109.4° |
| C33 | C93 | O94 | 109.0° | 109.5° |
| C33 | C93 | C87 | 110.2° | 109.0° |
| C93 | C33 | H331 | 109.2° | 109.5° |
| C33 | C93 | H931 | 108.8° | 109.6° |
| O83 | C84 | C87 | 111.2° | 109.4° |
| O83 | C84 | C85 | 109.9° | 109.5° |
| O83 | C84 | H841 | 109.8° | 109.5° |
| O94 | C93 | C87 | 109.5° | 109.5° |
| O94 | C93 | H931 | 110.4° | 109.6° |
| C93 | O94 | H941 | 109.5° | 114.0° |
| C93 | C87 | C84 | 110.0° | 109.2° |
| C93 | C87 | O88 | 109.6° | 109.5° |
| C93 | C87 | H871 | 109.5° | 109.6° |
| C87 | C93 | H931 | 108.9° | 109.6° |
| C87 | C84 | C85 | 108.5° | 109.5° |
| C84 | C87 | O88 | 109.6° | 109.5° |
| C87 | C84 | H841 | 108.7° | 109.5° |
| C84 | C87 | H871 | 108.4° | 109.5° |
| C84 | C85 | O86 | 108.5° | 109.5° |
| C85 | C84 | H841 | 108.6° | 109.5° |
| C84 | C85 | H852 | 109.7° | 109.5° |
| C84 | C85 | H851 | 109.7° | 109.5° |
| C87 | O88 | P89 | 118.2° | 123.0° |
| O88 | C87 | H871 | 109.8° | 109.6° |
| O92 | P89 | O88 | 109.7° | 109.4° |
| O92 | P89 | O91 | 108.9° | 109.5° |
| O92 | P89 | O90 | 110.6° | 109.5° |
| O86 | C85 | H852 | 109.7° | 109.5° |
| O86 | C85 | H851 | 109.7° | 109.5° |
| C85 | O86 | H861 | 109.5° | 114.0° |
| O88 | P89 | O91 | 109.9° | 109.5° |
| O88 | P89 | O90 | 108.5° | 109.5° |
| O91 | P89 | O90 | 109.2° | 109.5° |
| P89 | O91 | H7 | 109.5° | 114.0° |
| P89 | O90 | H6 | 109.5° | 114.0° |
| H171 | C17 | H1 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H282 | C28 | H283 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.4° | 109.5° |
| H2 | C45 | H451 | 109.5° | 109.6° |
| H3 | C63 | H631 | 109.5° | 109.6° |
| H852 | C85 | H851 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | P41 | O40 | C39 | 168.1° | 55.0° |
| O42 | P41 | O40 | O43 | 120.2° | 120.0° |
| O42 | P41 | O40 | O44 | 119.3° | 120.1° |
| O42 | P41 | O43 | O44 | 119.4° | 120.0° |
| O42 | P41 | O43 | H4 | 0.0° | 180.0° |
| O42 | P41 | O44 | H5 | 0.0° | 59.9° |
| O40 | C39 | C45 | O38 | 120.8° | 120.0° |
| O40 | C39 | C45 | H391 | 118.4° | 119.9° |
| O40 | C39 | C45 | C63 | 166.5° | 177.7° |
| O40 | C39 | O38 | H391 | 119.4° | 119.9° |
| C39 | O40 | P41 | O43 | 71.7° | 65.0° |
| C39 | O40 | P41 | O44 | 48.8° | 175.1° |
| O40 | C39 | O38 | C37 | 165.7° | 178.8° |
| O40 | C39 | C45 | H2 | 73.1° | 62.5° |
| O40 | C39 | C45 | H451 | 46.1° | 57.7° |
| P41 | O40 | C39 | C45 | 115.2° | 150.1° |
| P41 | O40 | C39 | O38 | 8.7° | 90.0° |
| O40 | P41 | O43 | O44 | 120.8° | 120.0° |
| P41 | O40 | C39 | H391 | 127.5° | 30.1° |
| O40 | P41 | O43 | H4 | 119.9° | 60.0° |
| O40 | P41 | O44 | H5 | 119.5° | 180.0° |
| C39 | C45 | C63 | H2 | 120.4° | 119.9° |
| C39 | C45 | C63 | H451 | 120.4° | 119.9° |
| C45 | C39 | O38 | H391 | 120.5° | 120.0° |
| C39 | C45 | C63 | C81 | 55.3° | 57.0° |
| C45 | C39 | O38 | C37 | 45.7° | 61.2° |
| C39 | C45 | H2 | H451 | 118.7° | 120.2° |
| C39 | C45 | C63 | H3 | 64.6° | 62.9° |
| C39 | C45 | C63 | H631 | 175.1° | 176.9° |
| C63 | C45 | C39 | O38 | 45.7° | 57.6° |
| C45 | C63 | C81 | H3 | 119.9° | 119.9° |
| C45 | C63 | C81 | H631 | 119.8° | 119.9° |
| C45 | C63 | C81 | C37 | 65.7° | 57.0° |
| C45 | C63 | C81 | O82 | 52.7° | 62.9° |
| C63 | C45 | C39 | H391 | 75.1° | 62.4° |
| C63 | C45 | H2 | H451 | 118.8° | 120.2° |
| C45 | C63 | H3 | H631 | 120.6° | 120.3° |
| C45 | C63 | C81 | H811 | 174.3° | 176.9° |
| C39 | O38 | C37 | C81 | 54.1° | 61.2° |
| C39 | O38 | C37 | C36 | 173.0° | 178.9° |
| C39 | O38 | C37 | H371 | 66.5° | 58.8° |
| O38 | C39 | C45 | H2 | 166.1° | 177.5° |
| O38 | C39 | C45 | H451 | 74.7° | 62.3° |
| C28 | C27 | C26 | H271 | 120.6° | 119.9° |
| C28 | C27 | C26 | H272 | 120.7° | 120.0° |
| C28 | C27 | C26 | C25 | 95.4° | 180.0° |
| C28 | C27 | C26 | H261 | 25.1° | 60.0° |
| C28 | C27 | C26 | H262 | 144.1° | 60.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.1° |
| C27 | C28 | H281 | H283 | 120.0° | 119.9° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | H271 | H272 | 118.0° | 120.0° |
| C27 | C26 | C25 | C24 | 92.5° | 180.0° |
| C27 | C26 | C25 | H261 | 120.6° | 120.0° |
| C27 | C26 | C25 | H262 | 120.5° | 120.0° |
| C27 | C26 | H261 | H262 | 118.4° | 120.0° |
| C26 | C27 | C28 | H281 | 180.0° | 60.0° |
| C26 | C27 | C28 | H282 | 60.0° | 60.0° |
| C26 | C27 | C28 | H283 | 60.0° | 179.9° |
| C27 | C26 | C25 | H251 | 27.7° | 60.0° |
| C27 | C26 | C25 | H252 | 147.2° | 60.0° |
| C26 | C27 | H271 | H272 | 118.0° | 120.1° |
| O43 | P41 | O44 | H5 | 120.0° | 60.0° |
| O44 | P41 | O43 | H4 | 119.4° | 60.0° |
| C22 | C23 | C24 | H232 | 120.4° | 120.0° |
| C22 | C23 | C24 | H231 | 120.4° | 120.0° |
| C22 | C23 | C24 | C25 | 175.7° | 180.0° |
| C23 | C22 | C21 | H221 | 120.7° | 120.0° |
| C23 | C22 | C21 | H222 | 120.7° | 120.0° |
| C23 | C22 | C21 | C20 | 129.5° | 180.0° |
| C23 | C22 | C21 | H211 | 110.7° | 60.0° |
| C23 | C22 | C21 | H212 | 9.6° | 60.0° |
| C23 | C22 | H221 | H222 | 117.8° | 120.0° |
| C22 | C23 | C24 | H241 | 55.4° | 60.0° |
| C22 | C23 | C24 | H242 | 64.0° | 60.0° |
| C22 | C23 | H232 | H231 | 118.9° | 120.0° |
| C23 | C24 | C25 | H241 | 120.3° | 120.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.0° |
| C23 | C24 | C25 | C26 | 174.1° | 180.0° |
| C24 | C23 | C22 | C21 | 82.1° | 180.0° |
| C24 | C23 | C22 | H221 | 157.2° | 60.0° |
| C24 | C23 | C22 | H222 | 38.6° | 60.0° |
| C23 | C24 | H241 | H242 | 119.0° | 120.0° |
| C24 | C23 | H232 | H231 | 118.8° | 120.0° |
| C23 | C24 | C25 | H251 | 53.8° | 60.0° |
| C23 | C24 | C25 | H252 | 65.7° | 60.0° |
| C24 | C25 | C26 | H251 | 120.2° | 120.0° |
| C24 | C25 | C26 | H252 | 120.3° | 120.0° |
| C25 | C24 | H241 | H242 | 119.1° | 120.0° |
| C24 | C25 | C26 | H261 | 28.0° | 60.0° |
| C24 | C25 | C26 | H262 | 146.9° | 60.0° |
| C25 | C24 | C23 | H232 | 63.9° | 60.0° |
| C25 | C24 | C23 | H231 | 55.4° | 60.0° |
| C24 | C25 | H251 | H252 | 119.3° | 120.0° |
| C26 | C25 | C24 | H241 | 65.6° | 60.0° |
| C26 | C25 | C24 | H242 | 53.8° | 60.0° |
| C25 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | C25 | H251 | H252 | 119.2° | 120.0° |
| C25 | C26 | C27 | H271 | 143.9° | 60.0° |
| C25 | C26 | C27 | H272 | 25.2° | 60.1° |
| C22 | C21 | C20 | H211 | 119.9° | 120.0° |
| C22 | C21 | C20 | H212 | 119.9° | 120.0° |
| C22 | C21 | C20 | C19 | 161.1° | 180.0° |
| C22 | C21 | C20 | H201 | 40.3° | 60.0° |
| C22 | C21 | C20 | H202 | 78.2° | 60.0° |
| C22 | C21 | H211 | H212 | 120.3° | 120.1° |
| C21 | C22 | H221 | H222 | 117.8° | 120.1° |
| C21 | C22 | C23 | H232 | 157.5° | 60.0° |
| C21 | C22 | C23 | H231 | 38.3° | 60.0° |
| C63 | C81 | C37 | O38 | 65.2° | 57.6° |
| C63 | C81 | C37 | O82 | 118.5° | 119.9° |
| C63 | C81 | C37 | H811 | 120.5° | 119.9° |
| C63 | C81 | O82 | H811 | 121.0° | 120.1° |
| C63 | C81 | C37 | C36 | 175.2° | 177.6° |
| C63 | C81 | C37 | H371 | 55.9° | 62.4° |
| C81 | C63 | C45 | H2 | 175.7° | 176.9° |
| C81 | C63 | C45 | H451 | 65.1° | 62.9° |
| C81 | C63 | H3 | H631 | 120.5° | 120.2° |
| C63 | C81 | O82 | H821 | 180.0° | 60.0° |
| O38 | C37 | C81 | C36 | 119.6° | 119.9° |
| O38 | C37 | C81 | H371 | 121.1° | 120.0° |
| O38 | C37 | C81 | O82 | 53.3° | 62.3° |
| O38 | C37 | C36 | H371 | 121.6° | 120.1° |
| O38 | C37 | C36 | O35 | 175.4° | 65.0° |
| O38 | C37 | C36 | H362 | 64.5° | 175.0° |
| O38 | C37 | C36 | H361 | 55.3° | 55.0° |
| C37 | O38 | C39 | H391 | 74.8° | 58.9° |
| O38 | C37 | C81 | H811 | 174.3° | 177.5° |
| C21 | C20 | C19 | H201 | 120.8° | 120.0° |
| C21 | C20 | C19 | H202 | 120.8° | 120.1° |
| C21 | C20 | C19 | C18 | 139.7° | NaN° |
| C21 | C20 | H201 | H202 | 117.6° | 120.1° |
| C20 | C21 | H211 | H212 | 120.4° | 120.0° |
| C20 | C21 | C22 | H221 | 8.7° | 60.0° |
| C20 | C21 | C22 | H222 | 109.9° | 60.0° |
| C21 | C20 | C19 | H191 | 19.7° | 60.0° |
| C21 | C20 | C19 | H192 | 100.2° | 60.0° |
| C20 | C19 | C18 | C17 | 76.7° | NaN° |
| C20 | C19 | C18 | H191 | 120.1° | 120.0° |
| C20 | C19 | C18 | H192 | 120.1° | 120.0° |
| C19 | C20 | H201 | H202 | 117.6° | 119.9° |
| C19 | C20 | C21 | H211 | 79.1° | 60.0° |
| C19 | C20 | C21 | H212 | 41.2° | 60.0° |
| C20 | C19 | C18 | H182 | 163.1° | 60.0° |
| C20 | C19 | C18 | H181 | 43.4° | 60.0° |
| C20 | C19 | H191 | H192 | 119.7° | 120.0° |
| C37 | C81 | O82 | H811 | 120.0° | 120.2° |
| C81 | C37 | C36 | H371 | 119.8° | 120.0° |
| C81 | C37 | C36 | O35 | 66.1° | 175.1° |
| C81 | C37 | C36 | H362 | 54.0° | 55.1° |
| C81 | C37 | C36 | H361 | 173.9° | 64.9° |
| C37 | C81 | C63 | H3 | 54.1° | 62.9° |
| C37 | C81 | C63 | H631 | 174.5° | 176.9° |
| C37 | C81 | O82 | H821 | 61.1° | 179.7° |
| O82 | C81 | C37 | C36 | 66.4° | 57.7° |
| O82 | C81 | C37 | H371 | 174.4° | 177.7° |
| O82 | C81 | C63 | H3 | 172.6° | 177.2° |
| O82 | C81 | C63 | H631 | 67.1° | 57.0° |
| C37 | C36 | O35 | H362 | 120.1° | 120.0° |
| C37 | C36 | O35 | H361 | 120.0° | 120.0° |
| C37 | C36 | O35 | C34 | 88.0° | 180.0° |
| C37 | C36 | H362 | H361 | 119.8° | 120.0° |
| C36 | C37 | C81 | H811 | 54.7° | 62.6° |
| C29 | C17 | C18 | H171 | 120.6° | 120.0° |
| C29 | C17 | C18 | H1 | 120.6° | 120.0° |
| C17 | C29 | C30 | O31 | 76.8° | 0.0° |
| C17 | C29 | C30 | H291 | 120.3° | 120.0° |
| C17 | C29 | C30 | H292 | 120.2° | 120.0° |
| C29 | C17 | C18 | C19 | 119.3° | NaN° |
| C17 | C29 | C30 | N32 | 102.6° | 180.0° |
| C29 | C17 | H171 | H1 | 118.2° | 120.0° |
| C29 | C17 | C18 | H182 | 0.8° | 60.0° |
| C29 | C17 | C18 | H181 | 120.6° | 60.0° |
| C17 | C29 | H291 | H292 | 119.2° | 120.0° |
| C18 | C17 | C29 | C30 | 90.3° | 180.0° |
| C17 | C18 | C19 | H182 | 120.2° | 120.0° |
| C17 | C18 | C19 | H181 | 120.1° | 120.0° |
| C18 | C17 | H171 | H1 | 118.2° | 120.0° |
| C17 | C18 | H182 | H181 | 119.6° | 120.0° |
| C17 | C18 | C19 | H191 | 163.2° | 60.0° |
| C17 | C18 | C19 | H192 | 43.4° | 60.0° |
| C18 | C17 | C29 | H291 | 30.0° | 60.0° |
| C18 | C17 | C29 | H292 | 149.4° | 60.0° |
| O31 | C30 | C29 | N32 | 179.4° | 180.0° |
| O31 | C30 | N32 | C33 | 0.4° | 0.1° |
| O31 | C30 | C29 | H291 | 162.9° | 120.0° |
| O31 | C30 | C29 | H292 | 43.4° | 120.0° |
| O31 | C30 | N32 | H321 | 179.6° | 180.0° |
| C29 | C30 | N32 | C33 | 179.8° | 180.0° |
| C30 | C29 | C17 | H171 | 30.3° | 60.0° |
| C30 | C29 | C17 | H1 | 149.1° | 60.0° |
| C30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | C30 | N32 | H321 | 0.1° | 0.0° |
| C19 | C18 | C17 | H171 | 120.1° | 60.0° |
| C19 | C18 | C17 | H1 | 1.3° | 60.0° |
| C18 | C19 | C20 | H201 | 99.5° | 60.0° |
| C18 | C19 | C20 | H202 | 19.0° | 59.9° |
| C19 | C18 | H182 | H181 | 119.6° | 120.0° |
| C18 | C19 | H191 | H192 | 119.7° | 120.0° |
| C30 | N32 | C33 | H321 | 180.0° | 179.9° |
| C30 | N32 | C33 | C34 | 64.8° | 85.3° |
| C30 | N32 | C33 | C93 | 172.9° | 155.0° |
| N32 | C30 | C29 | H291 | 17.7° | 60.0° |
| N32 | C30 | C29 | H292 | 137.1° | 60.1° |
| C30 | N32 | C33 | H331 | 54.3° | 35.0° |
| C36 | O35 | C34 | C33 | 155.5° | 175.0° |
| C36 | O35 | C34 | O83 | 83.4° | 65.0° |
| C36 | O35 | C34 | H341 | 35.5° | 55.0° |
| O35 | C36 | H362 | H361 | 119.8° | 120.0° |
| O35 | C36 | C37 | H371 | 53.8° | 55.0° |
| O35 | C34 | C33 | N32 | 26.1° | 57.5° |
| O35 | C34 | C33 | O83 | 118.9° | 120.0° |
| O35 | C34 | C33 | H341 | 121.0° | 120.0° |
| O35 | C34 | O83 | H341 | 119.3° | 120.0° |
| O35 | C34 | C33 | C93 | 94.2° | 62.4° |
| O35 | C34 | O83 | C84 | 58.4° | 58.9° |
| O35 | C34 | C33 | H331 | 145.9° | 177.7° |
| C34 | O35 | C36 | H362 | 151.9° | 60.0° |
| C34 | O35 | C36 | H361 | 32.1° | 60.0° |
| N32 | C33 | C34 | C93 | 120.3° | 119.9° |
| N32 | C33 | C34 | H331 | 119.9° | 120.2° |
| N32 | C33 | C34 | O83 | 144.9° | 177.5° |
| N32 | C33 | C93 | H331 | 118.7° | 120.1° |
| N32 | C33 | C93 | O94 | 36.5° | 57.1° |
| N32 | C33 | C93 | C87 | 83.7° | 177.0° |
| N32 | C33 | C34 | H341 | 94.9° | 62.5° |
| N32 | C33 | C93 | H931 | 156.9° | 63.1° |
| C33 | C34 | O83 | H341 | 119.6° | 120.0° |
| C34 | C33 | C93 | H331 | 119.2° | 120.0° |
| C33 | C34 | O83 | C84 | 62.7° | 61.1° |
| C34 | C33 | C93 | O94 | 158.6° | 62.8° |
| C34 | C33 | C93 | C87 | 38.3° | 57.0° |
| C34 | C33 | C93 | H931 | 81.0° | 177.0° |
| C34 | C33 | N32 | H321 | 115.3° | 94.7° |
| O83 | C34 | C33 | C93 | 24.7° | 57.6° |
| C34 | O83 | C84 | C87 | 33.5° | 61.1° |
| C34 | O83 | C84 | C85 | 153.7° | 178.9° |
| O83 | C34 | C33 | H331 | 95.2° | 62.3° |
| C34 | O83 | C84 | H841 | 86.9° | 58.9° |
| C33 | C93 | O94 | C87 | 120.6° | 119.5° |
| C33 | C93 | O94 | H931 | 119.5° | 120.2° |
| C33 | C93 | C87 | H931 | 119.3° | 120.0° |
| C33 | C93 | C87 | C84 | 67.9° | 57.0° |
| C33 | C93 | C87 | O88 | 171.5° | 62.9° |
| C93 | C33 | C34 | H341 | 144.8° | 177.6° |
| C33 | C93 | C87 | H871 | 51.0° | 176.9° |
| C93 | C33 | N32 | H321 | 7.0° | 25.0° |
| C33 | C93 | O94 | H941 | 180.0° | 180.0° |
| O83 | C84 | C87 | C93 | 29.8° | 57.6° |
| O83 | C84 | C87 | C85 | 121.0° | 120.0° |
| O83 | C84 | C87 | H841 | 121.0° | 120.0° |
| O83 | C84 | C85 | H841 | 120.2° | 120.0° |
| O83 | C84 | C87 | O88 | 150.3° | 62.3° |
| O83 | C84 | C85 | O86 | 173.0° | 65.0° |
| C84 | O83 | C34 | H341 | 177.7° | 178.9° |
| O83 | C84 | C85 | H852 | 67.1° | 55.0° |
| O83 | C84 | C85 | H851 | 53.2° | 175.0° |
| O83 | C84 | C87 | H871 | 89.9° | 177.5° |
| O94 | C93 | C87 | H931 | 120.8° | 120.2° |
| O94 | C93 | C87 | C84 | 172.1° | 62.8° |
| O94 | C93 | C87 | O88 | 51.6° | 177.3° |
| O94 | C93 | C33 | H331 | 82.2° | 177.2° |
| O94 | C93 | C87 | H871 | 68.9° | 57.1° |
| C93 | C87 | C84 | O88 | 120.5° | 119.9° |
| C93 | C87 | C84 | H871 | 119.6° | 119.9° |
| C93 | C87 | C84 | C85 | 91.2° | 177.6° |
| C93 | C87 | O88 | H871 | 120.3° | 120.2° |
| C93 | C87 | O88 | P89 | 87.7° | 120.3° |
| C87 | C93 | C33 | H331 | 157.6° | 63.0° |
| C93 | C87 | C84 | H841 | 150.8° | 62.4° |
| C87 | C93 | O94 | H941 | 59.3° | 60.5° |
| C87 | C84 | C85 | H841 | 118.1° | 120.0° |
| C84 | C87 | O88 | H871 | 118.9° | 120.1° |
| C87 | C84 | C85 | O86 | 51.2° | 175.0° |
| C84 | C87 | O88 | P89 | 151.5° | 120.0° |
| C87 | C84 | C85 | H852 | 171.1° | 65.0° |
| C87 | C84 | C85 | H851 | 68.6° | 55.0° |
| C84 | C87 | C93 | H931 | 51.3° | 176.9° |
| C85 | C84 | C87 | O88 | 29.3° | 57.7° |
| C84 | C85 | O86 | H852 | 119.8° | 120.0° |
| C84 | C85 | O86 | H851 | 119.8° | 120.0° |
| C84 | C85 | H852 | H851 | 120.4° | 120.0° |
| C85 | C84 | C87 | H871 | 149.2° | 62.5° |
| C84 | C85 | O86 | H861 | 180.0° | 180.0° |
| C87 | O88 | P89 | O92 | 38.0° | 55.1° |
| C87 | O88 | P89 | O91 | 81.8° | 64.9° |
| C87 | O88 | P89 | O90 | 158.9° | 175.0° |
| O88 | C87 | C84 | H841 | 88.7° | 177.7° |
| O88 | C87 | C93 | H931 | 69.2° | 57.0° |
| O92 | P89 | O88 | O91 | 119.8° | 120.0° |
| O92 | P89 | O88 | O90 | 120.9° | 120.0° |
| O92 | P89 | O91 | O90 | 120.8° | 120.0° |
| O92 | P89 | O90 | H6 | 0.0° | 60.0° |
| O92 | P89 | O91 | H7 | 0.0° | 180.0° |
| O86 | C85 | C84 | H841 | 66.8° | 55.0° |
| O86 | C85 | H852 | H851 | 120.5° | 120.0° |
| O88 | P89 | O91 | O90 | 118.9° | 120.0° |
| P89 | O88 | C87 | H871 | 32.6° | 0.1° |
| O88 | P89 | O90 | H6 | 120.4° | 180.0° |
| O88 | P89 | O91 | H7 | 120.3° | 60.0° |
| O91 | P89 | O90 | H6 | 119.8° | 60.0° |
| O90 | P89 | O91 | H7 | 120.8° | 60.0° |
| H171 | C17 | C18 | H182 | 119.8° | 60.0° |
| H171 | C17 | C18 | H181 | 0.0° | 180.0° |
| H171 | C17 | C29 | H291 | 150.6° | 180.0° |
| H171 | C17 | C29 | H292 | 89.9° | 60.0° |
| H1 | C17 | C18 | H182 | 121.4° | 179.9° |
| H1 | C17 | C18 | H181 | 118.9° | 60.0° |
| H1 | C17 | C29 | H291 | 90.6° | 60.0° |
| H1 | C17 | C29 | H292 | 28.9° | 180.0° |
| H201 | C20 | C21 | H211 | 160.2° | 59.9° |
| H201 | C20 | C21 | H212 | 79.6° | 180.0° |
| H201 | C20 | C19 | H191 | 140.4° | 180.0° |
| H201 | C20 | C19 | H192 | 20.6° | 60.0° |
| H202 | C20 | C21 | H211 | 41.7° | 180.0° |
| H202 | C20 | C21 | H212 | 161.9° | 60.0° |
| H202 | C20 | C19 | H191 | 101.1° | 60.0° |
| H202 | C20 | C19 | H192 | 139.1° | 180.0° |
| H211 | C21 | C22 | H221 | 128.6° | 180.0° |
| H211 | C21 | C22 | H222 | 10.0° | 59.9° |
| H212 | C21 | C22 | H221 | 111.2° | 59.9° |
| H212 | C21 | C22 | H222 | 130.2° | NaN° |
| H221 | C22 | C23 | H232 | 36.8° | 180.0° |
| H221 | C22 | C23 | H231 | 82.5° | 60.0° |
| H222 | C22 | C23 | H232 | 81.8° | 60.0° |
| H222 | C22 | C23 | H231 | 158.9° | 180.0° |
| H241 | C24 | C23 | H232 | 175.8° | 179.9° |
| H241 | C24 | C23 | H231 | 65.0° | 60.0° |
| H241 | C24 | C25 | H251 | 174.1° | 180.0° |
| H241 | C24 | C25 | H252 | 54.7° | 60.0° |
| H242 | C24 | C23 | H232 | 56.4° | 60.0° |
| H242 | C24 | C23 | H231 | 175.7° | 180.0° |
| H242 | C24 | C25 | H251 | 66.5° | 60.0° |
| H242 | C24 | C25 | H252 | 174.1° | 180.0° |
| H261 | C26 | C25 | H251 | 148.2° | 180.0° |
| H261 | C26 | C25 | H252 | 92.3° | 60.0° |
| H261 | C26 | C27 | H271 | 95.5° | 179.9° |
| H261 | C26 | C27 | H272 | 145.8° | 60.0° |
| H262 | C26 | C25 | H251 | 92.8° | 60.0° |
| H262 | C26 | C25 | H252 | 26.6° | 180.0° |
| H262 | C26 | C27 | H271 | 23.4° | 59.9° |
| H262 | C26 | C27 | H272 | 95.3° | 180.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H281 | C28 | C27 | H271 | 59.3° | 180.0° |
| H281 | C28 | C27 | H272 | 59.4° | 60.0° |
| H282 | C28 | C27 | H271 | 60.6° | 60.0° |
| H282 | C28 | C27 | H272 | 179.4° | 180.0° |
| H283 | C28 | C27 | H271 | 179.4° | 60.1° |
| H283 | C28 | C27 | H272 | 60.7° | 59.9° |
| H182 | C18 | C19 | H191 | 43.0° | 60.0° |
| H182 | C18 | C19 | H192 | 76.8° | 180.0° |
| H181 | C18 | C19 | H191 | 76.7° | 180.0° |
| H181 | C18 | C19 | H192 | 163.5° | 60.0° |
| H331 | C33 | C34 | H341 | 25.0° | 57.7° |
| H331 | C33 | C93 | H931 | 38.2° | 57.0° |
| H331 | C33 | N32 | H321 | 125.6° | 145.1° |
| H362 | C36 | C37 | H371 | 173.8° | 64.9° |
| H361 | C36 | C37 | H371 | 66.3° | 175.1° |
| H371 | C37 | C81 | H811 | 64.6° | 57.5° |
| H391 | C39 | C45 | H2 | 45.3° | 57.5° |
| H391 | C39 | C45 | H451 | 164.5° | 177.7° |
| H2 | C45 | C63 | H3 | 55.8° | 57.0° |
| H2 | C45 | C63 | H631 | 64.5° | 63.3° |
| H451 | C45 | C63 | H3 | 175.0° | 177.2° |
| H451 | C45 | C63 | H631 | 54.7° | 56.9° |
| H3 | C63 | C81 | H811 | 65.9° | 57.0° |
| H631 | C63 | C81 | H811 | 54.4° | 63.2° |
| H811 | C81 | O82 | H821 | 59.0° | 60.1° |
| H841 | C84 | C85 | H852 | 53.0° | 175.0° |
| H841 | C84 | C85 | H851 | 173.3° | 65.1° |
| H841 | C84 | C87 | H871 | 31.1° | 57.6° |
| H852 | C85 | O86 | H861 | 60.2° | 60.0° |
| H851 | C85 | O86 | H861 | 60.2° | 59.9° |
| H871 | C87 | C93 | H931 | 170.3° | 63.2° |
| H931 | C93 | O94 | H941 | 60.5° | 59.8° |
