IZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | P27 | doub | 1.48Å | 1.49Å | |
| O28 | P27 | sing | 1.61Å | 1.51Å | |
| P27 | O26 | sing | 1.61Å | 1.68Å | |
| P27 | C30 | sing | 1.82Å | 1.90Å | |
| C25 | O26 | sing | 1.43Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.59Å | |
| C04 | C02 | doub | 1.31Å | 1.38Å | |
| C04 | C05 | sing | 1.51Å | 1.61Å | |
| C01 | C02 | sing | 1.51Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| C06 | C07 | sing | 1.51Å | 1.60Å | |
| C08 | C07 | sing | 1.51Å | 1.59Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C07 | C09 | doub | 1.31Å | 1.39Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.51Å | 1.57Å | |
| C22 | C21 | sing | 1.53Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C09 | C10 | sing | 1.51Å | 1.62Å | |
| O32 | C31 | sing | 1.43Å | 1.47Å | |
| O32 | C33 | sing | 1.43Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C11 | C12 | sing | 1.51Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.41Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.59Å | |
| C31 | C40 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | doub | 1.31Å | 1.35Å | |
| C17 | C16 | sing | 1.51Å | 1.57Å | |
| C12 | C14 | doub | 1.31Å | 1.39Å | |
| O41 | C40 | sing | 1.43Å | 1.44Å | |
| C33 | C36 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.60Å | |
| C14 | C15 | sing | 1.51Å | 1.61Å | |
| C40 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | O37 | sing | 1.43Å | 1.45Å | |
| C38 | O39 | sing | 1.43Å | 1.48Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| O28 | H5 | sing | 0.97Å | 0.95Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | P27 | O28 | 101.9° | 109.5° |
| O29 | P27 | O26 | 113.0° | 109.5° |
| O29 | P27 | C30 | 105.9° | 109.5° |
| O28 | P27 | O26 | 112.9° | 109.4° |
| O28 | P27 | C30 | 111.8° | 109.5° |
| P27 | O28 | H5 | 109.5° | 114.0° |
| O26 | P27 | C30 | 110.8° | 109.4° |
| P27 | O26 | C25 | 127.1° | 123.0° |
| P27 | C30 | C31 | 114.6° | 109.4° |
| P27 | C30 | H302 | 108.1° | 109.5° |
| P27 | C30 | H301 | 108.2° | 109.4° |
| O26 | C25 | C24 | 115.0° | 109.5° |
| O26 | C25 | H252 | 108.1° | 109.4° |
| O26 | C25 | H251 | 108.1° | 109.4° |
| C25 | C24 | C22 | 117.1° | 109.5° |
| C25 | C24 | H241 | 107.5° | 109.5° |
| C25 | C24 | H242 | 107.5° | 109.5° |
| C24 | C25 | H252 | 108.1° | 109.5° |
| C24 | C25 | H251 | 108.1° | 109.5° |
| C02 | C04 | C05 | 113.8° | 120.0° |
| C04 | C02 | C01 | 114.9° | 120.0° |
| C04 | C02 | C03 | 126.3° | 120.0° |
| C02 | C04 | H041 | 123.1° | 120.0° |
| C04 | C05 | C06 | 118.2° | 109.4° |
| C05 | C04 | H041 | 123.1° | 120.0° |
| C04 | C05 | H051 | 107.3° | 109.5° |
| C04 | C05 | H052 | 107.3° | 109.4° |
| C01 | C02 | C03 | 118.8° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C05 | C06 | C07 | 113.7° | 109.4° |
| C06 | C05 | H051 | 107.3° | 109.5° |
| C06 | C05 | H052 | 107.2° | 109.5° |
| C05 | C06 | H062 | 108.4° | 109.5° |
| C05 | C06 | H061 | 108.4° | 109.4° |
| C06 | C07 | C08 | 105.8° | 120.0° |
| C06 | C07 | C09 | 120.8° | 120.0° |
| C07 | C06 | H062 | 108.4° | 109.5° |
| C07 | C06 | H061 | 108.4° | 109.5° |
| C08 | C07 | C09 | 133.4° | 120.0° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.4° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C07 | C09 | C10 | 165.1° | 120.0° |
| C07 | C09 | H2 | 97.5° | 120.0° |
| C30 | C31 | O32 | 103.2° | 109.5° |
| C30 | C31 | C40 | 119.2° | 109.5° |
| C31 | C30 | H302 | 108.2° | 109.5° |
| C31 | C30 | H301 | 108.2° | 109.5° |
| C30 | C31 | H311 | 107.8° | 109.5° |
| C24 | C22 | C21 | 110.7° | 109.5° |
| C24 | C22 | C23 | 111.7° | 109.5° |
| C24 | C22 | H221 | 108.5° | 109.4° |
| C22 | C24 | H241 | 107.5° | 109.5° |
| C22 | C24 | H242 | 107.5° | 109.4° |
| C18 | C17 | C19 | 126.9° | 120.0° |
| C18 | C17 | C16 | 110.5° | 120.0° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C22 | C21 | C20 | 114.3° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.4° |
| C22 | C21 | H211 | 108.2° | 109.4° |
| C21 | C22 | H221 | 108.3° | 109.5° |
| C23 | C22 | H221 | 108.6° | 109.4° |
| C22 | C23 | H231 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.5° | 109.5° |
| C09 | C10 | C11 | 112.7° | 109.5° |
| C09 | C10 | H101 | 108.6° | 109.4° |
| C09 | C10 | H102 | 108.7° | 109.5° |
| C10 | C09 | H2 | 97.5° | 120.0° |
| C31 | O32 | C33 | 116.7° | 114.1° |
| O32 | C31 | C40 | 109.5° | 109.4° |
| O32 | C31 | H311 | 108.8° | 109.5° |
| O32 | C33 | C34 | 106.5° | 109.5° |
| O32 | C33 | C36 | 107.4° | 109.4° |
| O32 | C33 | H331 | 109.8° | 109.5° |
| C21 | C20 | C19 | 110.7° | 109.5° |
| C21 | C20 | H202 | 109.2° | 109.5° |
| C21 | C20 | H201 | 109.1° | 109.5° |
| C20 | C21 | H212 | 108.3° | 109.5° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C12 | C11 | C10 | 111.2° | 109.5° |
| C11 | C12 | C13 | 104.0° | 120.0° |
| C11 | C12 | C14 | 133.7° | 120.0° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C12 | C11 | H112 | 109.1° | 109.5° |
| C11 | C10 | H101 | 108.7° | 109.5° |
| C11 | C10 | H102 | 108.6° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.5° |
| C10 | C11 | H112 | 109.0° | 109.5° |
| C33 | C34 | O35 | 112.8° | 109.4° |
| C34 | C33 | C36 | 115.8° | 109.5° |
| C34 | C33 | H331 | 108.6° | 109.5° |
| C33 | C34 | H341 | 108.6° | 109.5° |
| C33 | C34 | H342 | 108.6° | 109.4° |
| O35 | C34 | H341 | 108.6° | 109.5° |
| O35 | C34 | H342 | 108.6° | 109.5° |
| C34 | O35 | H351 | 109.5° | 114.0° |
| C20 | C19 | C17 | 124.3° | 120.0° |
| C19 | C20 | H202 | 109.1° | 109.4° |
| C19 | C20 | H201 | 109.1° | 109.5° |
| C20 | C19 | H191 | 117.8° | 120.0° |
| C13 | C12 | C14 | 122.2° | 120.0° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C31 | C40 | O41 | 108.3° | 109.5° |
| C31 | C40 | C38 | 108.9° | 109.1° |
| C40 | C31 | H311 | 108.0° | 109.5° |
| C31 | C40 | H401 | 108.4° | 109.5° |
| C19 | C17 | C16 | 122.6° | 120.0° |
| C17 | C19 | H191 | 117.9° | 120.0° |
| C17 | C16 | C15 | 112.3° | 109.4° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C12 | C14 | C15 | 168.8° | 120.0° |
| C12 | C14 | H4 | 95.6° | 120.0° |
| O41 | C40 | C38 | 113.0° | 109.5° |
| O41 | C40 | H401 | 109.6° | 109.6° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C33 | C36 | C38 | 116.0° | 109.2° |
| C33 | C36 | O37 | 106.3° | 109.5° |
| C36 | C33 | H331 | 108.6° | 109.5° |
| C33 | C36 | H361 | 107.1° | 109.5° |
| C16 | C15 | C14 | 118.3° | 109.5° |
| C16 | C15 | H151 | 107.2° | 109.5° |
| C16 | C15 | H152 | 107.2° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| C14 | C15 | H151 | 107.2° | 109.5° |
| C14 | C15 | H152 | 107.2° | 109.4° |
| C15 | C14 | H4 | 95.6° | 120.0° |
| C40 | C38 | C36 | 116.1° | 109.1° |
| C40 | C38 | O39 | 108.6° | 109.5° |
| C40 | C38 | H381 | 107.0° | 109.6° |
| C38 | C40 | H401 | 108.6° | 109.5° |
| C38 | C36 | O37 | 111.6° | 109.5° |
| C36 | C38 | O39 | 110.4° | 109.6° |
| C38 | C36 | H361 | 107.3° | 109.5° |
| C36 | C38 | H381 | 106.8° | 109.6° |
| O37 | C36 | H361 | 108.3° | 109.5° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| O39 | C38 | H381 | 107.5° | 109.5° |
| C38 | O39 | H391 | 109.5° | 114.0° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.4° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.4° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | P27 | O28 | O26 | 121.5° | 120.0° |
| O29 | P27 | O28 | C30 | 112.7° | 120.1° |
| O29 | P27 | O26 | C30 | 118.7° | 120.0° |
| O29 | P27 | O26 | C25 | 114.0° | 55.0° |
| O29 | P27 | C30 | C31 | 177.8° | 55.0° |
| O29 | P27 | C30 | H302 | 61.5° | 175.0° |
| O29 | P27 | C30 | H301 | 57.0° | 64.9° |
| O29 | P27 | O28 | H5 | 0.0° | 180.0° |
| O28 | P27 | O26 | C30 | 126.3° | 120.0° |
| O28 | P27 | O26 | C25 | 1.0° | 65.1° |
| O28 | P27 | C30 | C31 | 72.0° | 65.0° |
| O28 | P27 | C30 | H302 | 48.7° | 55.0° |
| O28 | P27 | C30 | H301 | 167.2° | 175.0° |
| P27 | O26 | C25 | C24 | 119.3° | 179.9° |
| O26 | P27 | C30 | C31 | 54.9° | 175.0° |
| P27 | O26 | C25 | H252 | 119.9° | 60.0° |
| P27 | O26 | C25 | H251 | 1.5° | 60.0° |
| O26 | P27 | C30 | H302 | 175.6° | 65.0° |
| O26 | P27 | C30 | H301 | 65.9° | 55.1° |
| O26 | P27 | O28 | H5 | 121.5° | 60.0° |
| C30 | P27 | O26 | C25 | 127.3° | 175.0° |
| P27 | C30 | C31 | H302 | 120.7° | 120.0° |
| P27 | C30 | C31 | H301 | 120.8° | 119.9° |
| P27 | C30 | C31 | O32 | 19.7° | 65.1° |
| P27 | C30 | C31 | C40 | 101.8° | 175.0° |
| P27 | C30 | H302 | H301 | 117.7° | 120.0° |
| P27 | C30 | C31 | H311 | 134.7° | 55.0° |
| C30 | P27 | O28 | H5 | 112.7° | 60.0° |
| O26 | C25 | C24 | H252 | 120.8° | 120.0° |
| O26 | C25 | C24 | H251 | 120.8° | 120.0° |
| O26 | C25 | C24 | C22 | 90.7° | 179.9° |
| O26 | C25 | C24 | H241 | 148.2° | 60.0° |
| O26 | C25 | C24 | H242 | 30.4° | 60.0° |
| O26 | C25 | H252 | H251 | 117.5° | 120.0° |
| C25 | C24 | C22 | H241 | 121.1° | 120.1° |
| C25 | C24 | C22 | H242 | 121.1° | 120.0° |
| C25 | C24 | C22 | C21 | 77.7° | 175.0° |
| C25 | C24 | C22 | C23 | 160.6° | 64.9° |
| C25 | C24 | C22 | H221 | 40.9° | 55.0° |
| C25 | C24 | H241 | H242 | 116.6° | 120.0° |
| C24 | C25 | H252 | H251 | 117.5° | 120.0° |
| C02 | C04 | C05 | H041 | 180.0° | 179.9° |
| C04 | C02 | C01 | C03 | 179.2° | 180.0° |
| C02 | C04 | C05 | C06 | 163.4° | 125.7° |
| C04 | C02 | C01 | H012 | 180.0° | 178.1° |
| C04 | C02 | C01 | H011 | 60.0° | 58.0° |
| C04 | C02 | C01 | H013 | 60.0° | 61.9° |
| C04 | C02 | C03 | H031 | 180.0° | 90.0° |
| C04 | C02 | C03 | H032 | 60.0° | 30.0° |
| C04 | C02 | C03 | H033 | 60.0° | 150.0° |
| C02 | C04 | C05 | H051 | 75.3° | 114.3° |
| C02 | C04 | C05 | H052 | 42.2° | 5.8° |
| C05 | C04 | C02 | C01 | 179.7° | 5.2° |
| C04 | C05 | C06 | H051 | 121.3° | 120.0° |
| C04 | C05 | C06 | H052 | 121.2° | 119.9° |
| C04 | C05 | C06 | C07 | 171.6° | 180.0° |
| C05 | C04 | C02 | C03 | 1.3° | 174.8° |
| C04 | C05 | H051 | H052 | 116.1° | 120.0° |
| C04 | C05 | C06 | H062 | 67.8° | 60.0° |
| C04 | C05 | C06 | H061 | 51.0° | 60.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.0° | 90.0° |
| C01 | C02 | C03 | H032 | 119.0° | 150.0° |
| C01 | C02 | C03 | H033 | 120.9° | 29.9° |
| C01 | C02 | C04 | H041 | 0.3° | 174.8° |
| C05 | C06 | C07 | H062 | 120.6° | 120.0° |
| C05 | C06 | C07 | H061 | 120.6° | 119.9° |
| C05 | C06 | C07 | C08 | 86.3° | 85.0° |
| C05 | C06 | C07 | C09 | 93.7° | 95.0° |
| C06 | C05 | C04 | H041 | 16.6° | 54.4° |
| C06 | C05 | H051 | H052 | 116.0° | 120.0° |
| C05 | C06 | H062 | H061 | 118.1° | 120.0° |
| C06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C06 | C07 | C09 | C10 | 173.9° | 177.0° |
| C07 | C06 | C05 | H051 | 50.3° | 60.0° |
| C07 | C06 | C05 | H052 | 67.2° | 60.1° |
| C07 | C06 | H062 | H061 | 118.1° | 120.1° |
| C06 | C07 | C08 | H081 | 180.0° | 94.4° |
| C06 | C07 | C08 | H082 | 60.0° | 145.6° |
| C06 | C07 | C08 | H083 | 60.0° | 25.6° |
| C06 | C07 | C09 | H2 | 6.1° | 3.0° |
| C08 | C07 | C09 | C10 | 6.1° | 3.1° |
| C08 | C07 | C06 | H062 | 153.0° | 155.0° |
| C08 | C07 | C06 | H061 | 34.3° | 34.9° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C07 | C08 | H081 | H083 | 120.0° | 120.1° |
| C07 | C08 | H082 | H083 | 120.0° | 120.1° |
| C08 | C07 | C09 | H2 | 173.9° | 177.0° |
| C03 | C02 | C01 | H012 | 0.8° | 1.9° |
| C03 | C02 | C01 | H011 | 120.8° | 121.9° |
| C03 | C02 | C01 | H013 | 119.2° | 118.1° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.1° |
| C03 | C02 | C04 | H041 | 178.7° | 5.3° |
| C07 | C09 | C10 | H2 | 180.0° | 180.0° |
| C07 | C09 | C10 | C11 | 77.3° | 126.5° |
| C07 | C09 | C10 | H101 | 43.3° | 113.5° |
| C07 | C09 | C10 | H102 | 162.3° | 6.5° |
| C09 | C07 | C06 | H062 | 27.0° | 24.9° |
| C09 | C07 | C06 | H061 | 145.7° | 145.0° |
| C09 | C07 | C08 | H081 | 0.0° | 85.7° |
| C09 | C07 | C08 | H082 | 120.0° | 34.3° |
| C09 | C07 | C08 | H083 | 120.0° | 154.3° |
| C30 | C31 | O32 | C40 | 128.0° | 119.9° |
| C30 | C31 | O32 | H311 | 114.3° | 120.1° |
| C30 | C31 | O32 | C33 | 165.9° | 178.9° |
| C30 | C31 | C40 | H311 | 123.4° | 120.0° |
| C30 | C31 | C40 | O41 | 49.7° | 57.7° |
| C30 | C31 | C40 | C38 | 173.0° | 177.6° |
| C31 | C30 | H302 | H301 | 117.7° | 120.0° |
| C30 | C31 | C40 | H401 | 69.1° | 62.5° |
| C24 | C22 | C21 | C23 | 123.3° | 120.1° |
| C24 | C22 | C21 | H221 | 118.7° | 120.0° |
| C24 | C22 | C23 | H221 | 119.6° | 119.9° |
| C24 | C22 | C21 | C20 | 165.7° | 175.0° |
| C24 | C22 | C21 | H212 | 73.6° | 54.9° |
| C24 | C22 | C21 | H211 | 45.0° | 65.1° |
| C22 | C24 | H241 | H242 | 116.5° | 119.9° |
| C24 | C22 | C23 | H231 | 180.0° | 60.1° |
| C24 | C22 | C23 | H233 | 60.0° | 180.0° |
| C24 | C22 | C23 | H232 | 60.0° | 60.0° |
| C22 | C24 | C25 | H252 | 30.1° | 60.0° |
| C22 | C24 | C25 | H251 | 148.5° | 60.1° |
| C18 | C17 | C19 | C20 | 0.9° | 5.8° |
| C18 | C17 | C19 | C16 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 79.5° | 85.1° |
| C18 | C17 | C16 | H162 | 160.0° | 155.0° |
| C18 | C17 | C16 | H161 | 40.9° | 34.9° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 179.1° | 174.1° |
| C21 | C22 | C23 | H221 | 117.7° | 120.0° |
| C22 | C21 | C20 | H212 | 120.7° | 120.0° |
| C22 | C21 | C20 | H211 | 120.7° | 120.0° |
| C22 | C21 | C20 | C19 | 175.3° | 180.0° |
| C22 | C21 | C20 | H202 | 64.5° | 60.0° |
| C22 | C21 | C20 | H201 | 55.1° | 59.9° |
| C22 | C21 | H212 | H211 | 117.8° | 120.0° |
| C21 | C22 | C24 | H241 | 161.2° | 54.9° |
| C21 | C22 | C24 | H242 | 43.4° | 65.0° |
| C21 | C22 | C23 | H231 | 57.4° | 60.0° |
| C21 | C22 | C23 | H233 | 177.4° | 60.0° |
| C21 | C22 | C23 | H232 | 62.6° | 180.0° |
| C23 | C22 | C21 | C20 | 71.0° | 65.0° |
| C23 | C22 | C21 | H212 | 49.7° | 175.0° |
| C23 | C22 | C21 | H211 | 168.3° | 55.0° |
| C23 | C22 | C24 | H241 | 39.5° | 175.0° |
| C23 | C22 | C24 | H242 | 78.3° | 55.0° |
| C22 | C23 | H231 | H233 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C09 | C10 | C11 | C12 | 117.4° | 180.0° |
| C09 | C10 | C11 | H101 | 120.5° | 120.0° |
| C09 | C10 | C11 | H102 | 120.5° | 120.0° |
| C09 | C10 | H101 | H102 | 118.5° | 120.0° |
| C09 | C10 | C11 | H111 | 2.9° | 60.0° |
| C09 | C10 | C11 | H112 | 122.3° | 60.0° |
| C31 | O32 | C33 | C34 | 178.3° | 178.8° |
| O32 | C31 | C40 | H311 | 118.2° | 120.0° |
| O32 | C31 | C40 | O41 | 68.6° | 62.3° |
| C31 | O32 | C33 | C36 | 57.0° | 61.2° |
| O32 | C31 | C40 | C38 | 54.6° | 57.6° |
| O32 | C31 | C30 | H302 | 101.0° | 54.9° |
| O32 | C31 | C30 | H301 | 140.5° | 175.0° |
| C31 | O32 | C33 | H331 | 60.9° | 58.8° |
| O32 | C31 | C40 | H401 | 172.5° | 177.5° |
| O32 | C33 | C34 | C36 | 119.3° | 120.0° |
| O32 | C33 | C34 | H331 | 118.3° | 120.0° |
| O32 | C33 | C34 | O35 | 155.6° | 65.1° |
| C33 | O32 | C31 | C40 | 66.2° | 61.2° |
| O32 | C33 | C36 | H331 | 118.7° | 120.0° |
| O32 | C33 | C36 | C38 | 42.1° | 57.6° |
| O32 | C33 | C36 | O37 | 166.8° | 177.5° |
| C33 | O32 | C31 | H311 | 51.6° | 58.8° |
| O32 | C33 | C34 | H341 | 35.1° | 174.9° |
| O32 | C33 | C34 | H342 | 83.9° | 54.9° |
| O32 | C33 | C36 | H361 | 77.6° | 62.3° |
| C21 | C20 | C19 | H202 | 120.2° | 120.0° |
| C21 | C20 | C19 | H201 | 120.2° | 120.0° |
| C21 | C20 | C19 | C17 | 136.5° | 122.8° |
| C21 | C20 | H202 | H201 | 119.4° | 120.0° |
| C20 | C21 | H212 | H211 | 117.8° | 120.0° |
| C20 | C21 | C22 | H221 | 47.0° | 55.0° |
| C21 | C20 | C19 | H191 | 43.5° | 57.2° |
| C12 | C11 | C10 | H111 | 120.2° | 120.0° |
| C12 | C11 | C10 | H112 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 177.5° | 180.0° |
| C11 | C12 | C14 | C15 | 14.7° | 6.5° |
| C12 | C11 | C10 | H101 | 3.1° | 60.0° |
| C12 | C11 | C10 | H102 | 122.1° | 60.0° |
| C11 | C12 | C13 | H132 | 180.0° | 90.0° |
| C11 | C12 | C13 | H131 | 60.0° | 150.0° |
| C11 | C12 | C13 | H133 | 60.0° | 30.0° |
| C12 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C12 | C14 | H4 | 165.3° | 173.5° |
| C10 | C11 | C12 | C13 | 61.1° | 85.0° |
| C10 | C11 | C12 | C14 | 115.9° | 95.1° |
| C11 | C10 | H101 | H102 | 118.5° | 120.0° |
| C11 | C10 | C09 | H2 | 102.7° | 53.5° |
| C10 | C11 | H111 | H112 | 119.2° | 120.0° |
| C33 | C34 | O35 | H341 | 120.5° | 120.0° |
| C33 | C34 | O35 | H342 | 120.5° | 120.0° |
| C34 | C33 | C36 | H331 | 122.4° | 120.0° |
| C34 | C33 | C36 | C38 | 161.0° | 177.6° |
| C34 | C33 | C36 | O37 | 74.4° | 62.4° |
| C33 | C34 | H341 | H342 | 118.4° | 120.0° |
| C34 | C33 | C36 | H361 | 41.2° | 57.7° |
| C33 | C34 | O35 | H351 | 180.0° | 180.0° |
| O35 | C34 | C33 | C36 | 36.2° | 175.0° |
| O35 | C34 | C33 | H331 | 86.2° | 55.0° |
| O35 | C34 | H341 | H342 | 118.5° | 120.0° |
| C20 | C19 | C17 | H191 | 180.0° | 180.0° |
| C20 | C19 | C17 | C16 | 179.1° | 174.1° |
| C19 | C20 | H202 | H201 | 119.4° | 120.0° |
| C19 | C20 | C21 | H212 | 54.6° | 60.0° |
| C19 | C20 | C21 | H211 | 64.0° | 60.0° |
| C13 | C12 | C14 | C15 | 168.7° | 173.6° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C13 | C12 | C11 | H111 | 59.1° | 155.0° |
| C13 | C12 | C11 | H112 | 178.6° | 35.0° |
| C13 | C12 | C14 | H4 | 11.3° | 6.4° |
| C31 | C40 | O41 | C38 | 120.7° | 119.6° |
| C31 | C40 | O41 | H401 | 118.1° | 120.2° |
| C31 | C40 | C38 | H401 | 117.8° | 119.9° |
| C31 | C40 | C38 | C36 | 44.6° | 57.0° |
| C31 | C40 | C38 | O39 | 169.6° | 176.9° |
| C40 | C31 | C30 | H302 | 137.4° | 65.0° |
| C40 | C31 | C30 | H301 | 18.9° | 55.0° |
| C31 | C40 | C38 | H381 | 74.6° | 63.0° |
| C31 | C40 | O41 | H411 | 180.0° | 180.0° |
| C19 | C17 | C16 | C15 | 100.5° | 95.0° |
| C17 | C19 | C20 | H202 | 16.3° | 2.8° |
| C17 | C19 | C20 | H201 | 103.4° | 117.2° |
| C19 | C17 | C16 | H162 | 20.0° | 24.9° |
| C19 | C17 | C16 | H161 | 139.1° | 145.0° |
| C19 | C17 | C18 | H181 | 180.0° | 83.8° |
| C19 | C17 | C18 | H182 | 60.0° | 156.2° |
| C19 | C17 | C18 | H183 | 60.0° | 36.3° |
| C17 | C16 | C15 | H162 | 120.4° | 120.0° |
| C17 | C16 | C15 | H161 | 120.4° | 120.0° |
| C17 | C16 | C15 | C14 | 78.4° | 180.0° |
| C17 | C16 | C15 | H151 | 42.9° | 60.0° |
| C17 | C16 | C15 | H152 | 160.4° | 60.0° |
| C17 | C16 | H162 | H161 | 118.7° | 120.0° |
| C16 | C17 | C18 | H181 | 0.0° | 96.2° |
| C16 | C17 | C18 | H182 | 120.0° | 23.9° |
| C16 | C17 | C18 | H183 | 120.0° | 143.8° |
| C16 | C17 | C19 | H191 | 0.9° | 6.0° |
| C12 | C14 | C15 | C16 | 78.1° | 120.4° |
| C12 | C14 | C15 | H4 | 180.0° | 180.0° |
| C14 | C12 | C13 | H132 | 2.5° | 90.0° |
| C14 | C12 | C13 | H131 | 122.5° | 30.0° |
| C14 | C12 | C13 | H133 | 117.5° | 150.0° |
| C12 | C14 | C15 | H151 | 43.1° | 119.6° |
| C12 | C14 | C15 | H152 | 160.6° | 0.4° |
| C14 | C12 | C11 | H111 | 123.8° | 24.9° |
| C14 | C12 | C11 | H112 | 4.3° | 144.9° |
| O41 | C40 | C38 | H401 | 121.8° | 120.2° |
| O41 | C40 | C38 | C36 | 75.8° | 62.9° |
| O41 | C40 | C38 | O39 | 49.2° | 57.0° |
| O41 | C40 | C31 | H311 | 173.1° | 177.7° |
| O41 | C40 | C38 | H381 | 165.0° | 177.1° |
| C33 | C36 | C38 | C40 | 40.0° | 57.0° |
| C33 | C36 | C38 | O37 | 121.9° | 119.9° |
| C33 | C36 | C38 | H361 | 119.7° | 119.9° |
| C33 | C36 | O37 | H361 | 114.8° | 120.1° |
| C33 | C36 | C38 | O39 | 164.1° | 176.8° |
| C36 | C33 | C34 | H341 | 84.2° | 55.0° |
| C36 | C33 | C34 | H342 | 156.8° | 65.0° |
| C33 | C36 | C38 | H381 | 79.3° | 63.0° |
| C33 | C36 | O37 | H371 | 180.0° | 60.0° |
| C16 | C15 | C14 | H151 | 121.2° | 120.0° |
| C16 | C15 | C14 | H152 | 121.2° | 120.0° |
| C16 | C15 | H151 | H152 | 116.0° | 120.0° |
| C16 | C15 | C14 | H4 | 101.9° | 59.6° |
| C15 | C16 | H162 | H161 | 118.7° | 120.0° |
| C14 | C15 | H151 | H152 | 116.0° | 120.0° |
| C14 | C15 | C16 | H162 | 161.2° | 60.0° |
| C14 | C15 | C16 | H161 | 42.1° | 60.0° |
| C40 | C38 | C36 | O39 | 124.1° | 119.8° |
| C40 | C38 | C36 | H381 | 119.3° | 120.0° |
| C40 | C38 | C36 | O37 | 161.9° | 176.9° |
| C40 | C38 | O39 | H381 | 115.5° | 120.2° |
| C38 | C40 | C31 | H311 | 63.6° | 62.4° |
| C40 | C38 | C36 | H361 | 79.7° | 63.0° |
| C40 | C38 | O39 | H391 | 180.0° | 179.6° |
| C38 | C40 | O41 | H411 | 59.3° | 60.3° |
| C38 | C36 | O37 | H361 | 117.8° | 120.2° |
| C36 | C38 | O39 | H381 | 116.2° | 120.2° |
| C38 | C36 | C33 | H331 | 76.6° | 62.3° |
| C36 | C38 | C40 | H401 | 162.4° | 176.9° |
| C38 | C36 | O37 | H371 | 52.6° | 179.7° |
| C36 | C38 | O39 | H391 | 51.7° | 60.0° |
| O37 | C36 | C38 | O39 | 74.0° | 63.3° |
| O37 | C36 | C33 | H331 | 48.1° | 57.6° |
| O37 | C36 | C38 | H381 | 42.6° | 56.9° |
| O39 | C38 | C36 | H361 | 44.4° | 56.9° |
| O39 | C38 | C40 | H401 | 72.6° | 63.2° |
| H101 | C10 | C09 | H2 | 136.8° | 66.5° |
| H101 | C10 | C11 | H111 | 123.3° | 180.0° |
| H101 | C10 | C11 | H112 | 117.2° | 60.0° |
| H102 | C10 | C09 | H2 | 17.7° | 173.5° |
| H102 | C10 | C11 | H111 | 117.6° | 60.0° |
| H102 | C10 | C11 | H112 | 1.9° | 180.0° |
| H132 | C13 | H131 | H133 | 120.0° | 120.0° |
| H151 | C15 | C14 | H4 | 136.9° | 60.4° |
| H151 | C15 | C16 | H162 | 77.5° | 180.0° |
| H151 | C15 | C16 | H161 | 163.3° | 60.0° |
| H152 | C15 | C14 | H4 | 19.4° | 179.6° |
| H152 | C15 | C16 | H162 | 40.0° | 60.0° |
| H152 | C15 | C16 | H161 | 79.2° | 180.0° |
| H202 | C20 | C21 | H212 | 174.7° | 60.0° |
| H202 | C20 | C21 | H211 | 56.1° | 180.0° |
| H202 | C20 | C19 | H191 | 163.7° | 177.2° |
| H201 | C20 | C21 | H212 | 65.6° | 179.9° |
| H201 | C20 | C21 | H211 | 175.8° | 60.0° |
| H201 | C20 | C19 | H191 | 76.6° | 62.9° |
| H212 | C21 | C22 | H221 | 167.7° | 65.0° |
| H211 | C21 | C22 | H221 | 73.7° | 175.0° |
| H221 | C22 | C24 | H241 | 80.2° | 65.1° |
| H221 | C22 | C24 | H242 | 162.0° | 175.0° |
| H221 | C22 | C23 | H231 | 60.4° | 180.0° |
| H221 | C22 | C23 | H233 | 59.6° | 60.0° |
| H221 | C22 | C23 | H232 | 179.6° | 60.0° |
| H241 | C24 | C25 | H252 | 91.0° | 180.0° |
| H241 | C24 | C25 | H251 | 27.4° | 60.0° |
| H242 | C24 | C25 | H252 | 151.2° | 60.0° |
| H242 | C24 | C25 | H251 | 90.4° | 180.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H031 | C03 | H032 | H033 | 120.0° | 119.9° |
| H041 | C04 | C05 | H051 | 104.7° | 65.7° |
| H041 | C04 | C05 | H052 | 137.8° | 174.3° |
| H051 | C05 | C06 | H062 | 171.0° | 180.0° |
| H051 | C05 | C06 | H061 | 70.3° | 60.0° |
| H052 | C05 | C06 | H062 | 53.5° | 59.9° |
| H052 | C05 | C06 | H061 | 172.2° | 180.0° |
| H081 | C08 | H082 | H083 | 120.0° | 119.9° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H231 | C23 | H233 | H232 | 120.0° | 120.0° |
| H302 | C30 | C31 | H311 | 14.0° | 175.0° |
| H301 | C30 | C31 | H311 | 104.5° | 65.0° |
| H311 | C31 | C40 | H401 | 54.3° | 57.5° |
| H331 | C33 | C34 | H341 | 153.3° | 65.0° |
| H331 | C33 | C34 | H342 | 34.3° | 175.0° |
| H331 | C33 | C36 | H361 | 163.7° | 177.7° |
| H341 | C34 | O35 | H351 | 59.5° | 60.0° |
| H342 | C34 | O35 | H351 | 59.5° | 60.0° |
| H361 | C36 | C38 | H381 | 161.0° | 177.1° |
| H361 | C36 | O37 | H371 | 65.2° | 60.2° |
| H381 | C38 | C40 | H401 | 43.2° | 56.9° |
| H381 | C38 | O39 | H391 | 64.5° | 60.2° |
| H401 | C40 | O41 | H411 | 61.9° | 59.9° |
