IZY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.51Å | 1.57Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.51Å | 1.56Å | |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C17 | C19 | doub | 1.31Å | 1.35Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.51Å | 1.58Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| C02 | C04 | doub | 1.31Å | 1.36Å | |
| C04 | C05 | sing | 1.51Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C07 | C08 | sing | 1.51Å | 1.55Å | |
| C07 | C09 | doub | 1.31Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.54Å | |
| C12 | C14 | doub | 1.31Å | 1.33Å | |
| C25 | O26 | sing | 1.43Å | 1.41Å | |
| C31 | C40 | sing | 1.53Å | 1.51Å | |
| C31 | O30 | sing | 1.43Å | 1.37Å | |
| C31 | O32 | sing | 1.43Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C33 | C36 | sing | 1.53Å | 1.53Å | |
| C33 | O32 | sing | 1.43Å | 1.46Å | |
| C34 | O35 | sing | 1.43Å | 1.41Å | |
| C36 | C38 | sing | 1.53Å | 1.49Å | |
| C36 | O37 | sing | 1.43Å | 1.44Å | |
| C38 | C40 | sing | 1.53Å | 1.46Å | |
| C38 | O39 | sing | 1.43Å | 1.46Å | |
| C40 | O41 | sing | 1.43Å | 1.44Å | |
| O26 | P27 | sing | 1.61Å | 1.66Å | |
| O28 | P27 | doub | 1.48Å | 1.51Å | |
| O29 | P27 | sing | 1.61Å | 1.51Å | |
| O30 | P27 | sing | 1.61Å | 1.67Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | 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 | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | 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 | |
| O29 | H7 | 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) |
| C09 | C10 | C11 | 108.6° | 109.5° |
| C10 | C09 | C07 | 154.2° | 120.0° |
| C09 | C10 | H101 | 109.7° | 109.5° |
| C09 | C10 | H102 | 109.7° | 109.5° |
| C10 | C09 | H4 | 102.8° | 120.0° |
| C10 | C11 | C12 | 109.8° | 109.5° |
| C11 | C10 | H101 | 109.7° | 109.4° |
| C11 | C10 | H102 | 109.7° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| C13 | C12 | C11 | 107.7° | 120.0° |
| C13 | C12 | C14 | 125.4° | 120.0° |
| C12 | C13 | H132 | 109.5° | 109.4° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C14 | C15 | C16 | 109.1° | 109.5° |
| C15 | C14 | C12 | 152.4° | 120.0° |
| C14 | C15 | H152 | 109.6° | 109.4° |
| C14 | C15 | H151 | 109.6° | 109.5° |
| C15 | C14 | H6 | 103.8° | 120.1° |
| C15 | C16 | C17 | 111.8° | 109.4° |
| C16 | C15 | H152 | 109.5° | 109.5° |
| C16 | C15 | H151 | 109.5° | 109.5° |
| C15 | C16 | H161 | 108.9° | 109.5° |
| C15 | C16 | H162 | 108.9° | 109.5° |
| C16 | C17 | C18 | 107.1° | 120.0° |
| C16 | C17 | C19 | 127.8° | 120.0° |
| C17 | C16 | H161 | 108.9° | 109.5° |
| C17 | C16 | H162 | 108.9° | 109.5° |
| C18 | C17 | C19 | 125.0° | 120.0° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C19 | C20 | 122.1° | 120.0° |
| C17 | C19 | H191 | 118.9° | 120.0° |
| C21 | C20 | C19 | 108.1° | 109.4° |
| C20 | C21 | C22 | 114.4° | 109.5° |
| C21 | C20 | H201 | 109.8° | 109.5° |
| C21 | C20 | H202 | 109.8° | 109.5° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C20 | C21 | H212 | 108.2° | 109.4° |
| C19 | C20 | H201 | 109.8° | 109.5° |
| C19 | C20 | H202 | 109.8° | 109.5° |
| C20 | C19 | H191 | 119.0° | 120.1° |
| C21 | C22 | C24 | 110.8° | 109.5° |
| C21 | C22 | C23 | 109.0° | 109.5° |
| C22 | C21 | H211 | 108.2° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C24 | C22 | C23 | 108.7° | 109.4° |
| C22 | C24 | C25 | 111.2° | 109.5° |
| C24 | C22 | H221 | 109.4° | 109.5° |
| C22 | C24 | H241 | 109.0° | 109.4° |
| C22 | C24 | H242 | 109.0° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C22 | C23 | H233 | 109.5° | 109.5° |
| C22 | C23 | H232 | 109.4° | 109.4° |
| C22 | C23 | H231 | 109.4° | 109.5° |
| C24 | C25 | O26 | 108.3° | 109.4° |
| C25 | C24 | H241 | 109.0° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.5° |
| C24 | C25 | H252 | 109.7° | 109.5° |
| C24 | C25 | H251 | 109.8° | 109.5° |
| C01 | C02 | C03 | 89.0° | 120.0° |
| C01 | C02 | C04 | 107.7° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C03 | C02 | C04 | 163.3° | 120.0° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C04 | C05 | 158.8° | 120.0° |
| C02 | C04 | H2 | 100.6° | 120.0° |
| C04 | C05 | C06 | 111.5° | 109.5° |
| C05 | C04 | H2 | 100.6° | 120.0° |
| C04 | C05 | H052 | 109.0° | 109.4° |
| C04 | C05 | H051 | 108.9° | 109.5° |
| C05 | C06 | C07 | 105.8° | 109.4° |
| C06 | C05 | H052 | 109.0° | 109.5° |
| C06 | C05 | H051 | 109.0° | 109.5° |
| C05 | C06 | H062 | 110.4° | 109.5° |
| C05 | C06 | H061 | 110.4° | 109.5° |
| C06 | C07 | C08 | 106.5° | 120.0° |
| C06 | C07 | C09 | 126.2° | 120.0° |
| C07 | C06 | H062 | 110.4° | 109.5° |
| C07 | C06 | H061 | 110.4° | 109.5° |
| C08 | C07 | C09 | 127.3° | 120.0° |
| C07 | C08 | H083 | 109.5° | 109.5° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.4° |
| C07 | C09 | H4 | 102.9° | 120.0° |
| C11 | C12 | C14 | 126.9° | 120.0° |
| C12 | C11 | H112 | 109.4° | 109.5° |
| C12 | C11 | H111 | 109.4° | 109.4° |
| C12 | C14 | H6 | 103.8° | 120.0° |
| C25 | O26 | P27 | 116.3° | 123.0° |
| O26 | C25 | H252 | 109.8° | 109.4° |
| O26 | C25 | H251 | 109.8° | 109.5° |
| C40 | C31 | O30 | 107.9° | 109.5° |
| C40 | C31 | O32 | 108.5° | 109.4° |
| C31 | C40 | C38 | 112.2° | 109.2° |
| C31 | C40 | O41 | 107.6° | 109.5° |
| C40 | C31 | H311 | 109.0° | 109.5° |
| C31 | C40 | H401 | 109.0° | 109.5° |
| O30 | C31 | O32 | 110.9° | 109.4° |
| C31 | O30 | P27 | 120.9° | 123.0° |
| O30 | C31 | H311 | 111.0° | 109.4° |
| C31 | O32 | C33 | 112.3° | 114.1° |
| O32 | C31 | H311 | 109.4° | 109.5° |
| C34 | C33 | C36 | 107.1° | 109.5° |
| C34 | C33 | O32 | 106.5° | 109.5° |
| C33 | C34 | O35 | 107.1° | 109.4° |
| C34 | C33 | H331 | 109.2° | 109.5° |
| C33 | C34 | H342 | 110.1° | 109.5° |
| C33 | C34 | H341 | 110.1° | 109.5° |
| C36 | C33 | O32 | 115.3° | 109.4° |
| C33 | C36 | C38 | 114.9° | 109.1° |
| C33 | C36 | O37 | 107.1° | 109.5° |
| C36 | C33 | H331 | 108.8° | 109.5° |
| C33 | C36 | H361 | 108.3° | 109.5° |
| O32 | C33 | H331 | 109.7° | 109.5° |
| O35 | C34 | H342 | 110.0° | 109.5° |
| O35 | C34 | H341 | 110.1° | 109.5° |
| C34 | O35 | H351 | 109.5° | 114.0° |
| C38 | C36 | O37 | 108.0° | 109.5° |
| C36 | C38 | C40 | 113.6° | 109.0° |
| C36 | C38 | O39 | 107.4° | 109.5° |
| C38 | C36 | H361 | 108.9° | 109.6° |
| C36 | C38 | H381 | 109.3° | 109.6° |
| O37 | C36 | H361 | 109.6° | 109.6° |
| C36 | O37 | H371 | 109.5° | 114.0° |
| C40 | C38 | O39 | 107.1° | 109.5° |
| C38 | C40 | O41 | 108.3° | 109.5° |
| C40 | C38 | H381 | 109.7° | 109.6° |
| C38 | C40 | H401 | 109.6° | 109.6° |
| O39 | C38 | H381 | 109.7° | 109.6° |
| C38 | O39 | H391 | 109.5° | 114.0° |
| O41 | C40 | H401 | 110.0° | 109.6° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| O26 | P27 | O28 | 109.4° | 109.5° |
| O26 | P27 | O29 | 108.0° | 109.5° |
| O26 | P27 | O30 | 111.5° | 109.5° |
| O28 | P27 | O29 | 110.0° | 109.5° |
| O28 | P27 | O30 | 109.6° | 109.5° |
| O29 | P27 | O30 | 108.3° | 109.5° |
| P27 | O29 | H7 | 109.5° | 114.0° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H133 | C13 | H131 | 109.4° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.4° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.4° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 119.9° | 120.0° |
| C09 | C10 | C11 | H102 | 119.9° | 120.0° |
| C10 | C09 | C07 | C06 | 179.1° | 173.6° |
| C10 | C09 | C07 | C08 | 0.6° | 6.4° |
| C10 | C09 | C07 | H4 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 175.6° | 180.0° |
| C09 | C10 | H101 | H102 | 120.4° | 120.0° |
| C09 | C10 | C11 | H112 | 55.6° | 60.0° |
| C09 | C10 | C11 | H111 | 64.3° | 60.0° |
| C10 | C11 | C12 | C13 | 77.3° | 85.0° |
| C11 | C10 | C09 | C07 | 66.7° | 126.5° |
| C10 | C11 | C12 | H112 | 120.1° | 120.0° |
| C10 | C11 | C12 | H111 | 120.1° | 120.0° |
| C10 | C11 | C12 | C14 | 103.2° | 95.0° |
| C11 | C10 | H101 | H102 | 120.4° | 120.0° |
| C11 | C10 | C09 | H4 | 113.3° | 53.5° |
| C10 | C11 | H112 | H111 | 119.9° | 120.0° |
| C13 | C12 | C14 | C15 | 0.6° | 5.7° |
| C13 | C12 | C11 | C14 | 179.5° | 180.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H131 | 120.0° | 120.0° |
| C12 | C13 | H133 | H131 | 120.0° | 119.9° |
| C13 | C12 | C11 | H112 | 162.6° | 155.0° |
| C13 | C12 | C11 | H111 | 42.8° | 35.1° |
| C13 | C12 | C14 | H6 | 179.4° | 174.2° |
| C14 | C15 | C16 | H152 | 120.0° | 119.9° |
| C14 | C15 | C16 | H151 | 119.9° | 120.0° |
| C14 | C15 | C16 | C17 | 127.0° | 180.0° |
| C15 | C14 | C12 | C11 | 178.8° | 174.3° |
| C15 | C14 | C12 | H6 | 180.0° | 179.9° |
| C14 | C15 | H152 | H151 | 120.2° | 120.0° |
| C14 | C15 | C16 | H161 | 112.7° | 60.1° |
| C14 | C15 | C16 | H162 | 6.6° | 60.0° |
| C15 | C16 | C17 | H161 | 120.3° | 120.0° |
| C15 | C16 | C17 | H162 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 58.6° | 87.4° |
| C15 | C16 | C17 | C19 | 122.3° | 92.6° |
| C16 | C15 | C14 | C12 | 54.4° | 124.0° |
| C16 | C15 | H152 | H151 | 120.1° | 120.0° |
| C16 | C15 | C14 | H6 | 125.6° | 55.9° |
| C15 | C16 | H161 | H162 | 119.0° | 120.0° |
| C16 | C17 | C18 | C19 | 179.1° | 179.9° |
| C16 | C17 | C19 | C20 | 0.7° | 6.6° |
| C17 | C16 | C15 | H152 | 7.0° | 60.0° |
| C17 | C16 | C15 | H151 | 113.1° | 60.0° |
| C17 | C16 | H161 | H162 | 118.9° | 120.0° |
| C16 | C17 | C18 | H183 | 180.0° | 90.0° |
| C16 | C17 | C18 | H181 | 60.0° | 150.0° |
| C16 | C17 | C18 | H182 | 60.0° | 30.0° |
| C16 | C17 | C19 | H191 | 179.3° | 173.4° |
| C18 | C17 | C19 | C20 | 179.6° | 173.4° |
| C18 | C17 | C16 | H161 | 179.0° | 152.6° |
| C18 | C17 | C16 | H162 | 61.7° | 32.6° |
| C17 | C18 | H183 | H181 | 120.0° | 120.0° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | C17 | C19 | H191 | 0.4° | 6.6° |
| C17 | C19 | C20 | C21 | 94.8° | 121.8° |
| C17 | C19 | C20 | H191 | 180.0° | 180.0° |
| C17 | C19 | C20 | H201 | 25.0° | 1.8° |
| C17 | C19 | C20 | H202 | 145.4° | 118.2° |
| C19 | C17 | C16 | H161 | 1.9° | 27.4° |
| C19 | C17 | C16 | H162 | 117.4° | 147.4° |
| C19 | C17 | C18 | H183 | 0.9° | 90.0° |
| C19 | C17 | C18 | H181 | 119.1° | 30.0° |
| C19 | C17 | C18 | H182 | 120.9° | 149.9° |
| C21 | C20 | C19 | H201 | 119.8° | 120.0° |
| C21 | C20 | C19 | H202 | 119.8° | 120.0° |
| C20 | C21 | C22 | H211 | 120.7° | 120.0° |
| C20 | C21 | C22 | H212 | 120.7° | 120.0° |
| C20 | C21 | C22 | C24 | 46.5° | 175.0° |
| C20 | C21 | C22 | C23 | 73.1° | 65.0° |
| C21 | C20 | H201 | H202 | 120.7° | 120.0° |
| C20 | C21 | H211 | H212 | 117.8° | 120.0° |
| C20 | C21 | C22 | H221 | 167.3° | 55.0° |
| C21 | C20 | C19 | H191 | 85.3° | 58.2° |
| C19 | C20 | C21 | C22 | 152.7° | 180.0° |
| C19 | C20 | H201 | H202 | 120.7° | 120.0° |
| C19 | C20 | C21 | H211 | 31.9° | 60.0° |
| C19 | C20 | C21 | H212 | 86.6° | 60.0° |
| C21 | C22 | C24 | C23 | 119.7° | 120.0° |
| C21 | C22 | C24 | H221 | 120.7° | 120.0° |
| C21 | C22 | C23 | H221 | 119.6° | 120.0° |
| C21 | C22 | C24 | C25 | 57.4° | 175.0° |
| C22 | C21 | C20 | H201 | 32.9° | 60.0° |
| C22 | C21 | C20 | H202 | 87.6° | 60.0° |
| C22 | C21 | H211 | H212 | 117.8° | 120.0° |
| C21 | C22 | C24 | H241 | 62.8° | 55.0° |
| C21 | C22 | C24 | H242 | 177.7° | 65.0° |
| C21 | C22 | C23 | H233 | 180.0° | 60.0° |
| C21 | C22 | C23 | H232 | 60.0° | 60.0° |
| C21 | C22 | C23 | H231 | 60.0° | 180.0° |
| C24 | C22 | C23 | H221 | 119.5° | 120.0° |
| C22 | C24 | C25 | H241 | 120.2° | 120.0° |
| C22 | C24 | C25 | H242 | 120.2° | 120.0° |
| C22 | C24 | C25 | O26 | 173.0° | 180.0° |
| C24 | C22 | C21 | H211 | 167.2° | 55.0° |
| C24 | C22 | C21 | H212 | 74.2° | 65.0° |
| C22 | C24 | H241 | H242 | 119.2° | 120.0° |
| C24 | C22 | C23 | H233 | 59.1° | 60.0° |
| C24 | C22 | C23 | H232 | 60.9° | 180.0° |
| C24 | C22 | C23 | H231 | 179.1° | 60.0° |
| C22 | C24 | C25 | H252 | 53.2° | 60.1° |
| C22 | C24 | C25 | H251 | 67.2° | 60.0° |
| C23 | C22 | C24 | C25 | 177.2° | 65.0° |
| C23 | C22 | C21 | H211 | 47.6° | 175.0° |
| C23 | C22 | C21 | H212 | 166.2° | 55.0° |
| C23 | C22 | C24 | H241 | 56.9° | 175.0° |
| C23 | C22 | C24 | H242 | 62.6° | 55.0° |
| C22 | C23 | H233 | H232 | 120.0° | 120.0° |
| C22 | C23 | H233 | H231 | 120.0° | 120.0° |
| C22 | C23 | H232 | H231 | 120.0° | 120.0° |
| C24 | C25 | O26 | H252 | 119.8° | 120.0° |
| C24 | C25 | O26 | H251 | 119.8° | 120.0° |
| C24 | C25 | O26 | P27 | 104.8° | 180.0° |
| C25 | C24 | C22 | H221 | 63.3° | 54.9° |
| C25 | C24 | H241 | H242 | 119.2° | 120.0° |
| C24 | C25 | H252 | H251 | 120.5° | 120.1° |
| C01 | C02 | C03 | C04 | 179.5° | 180.0° |
| C01 | C02 | C04 | C05 | 0.7° | 5.2° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 90.0° |
| C01 | C02 | C03 | H033 | 60.0° | 149.9° |
| C01 | C02 | C03 | H032 | 60.0° | 29.9° |
| C01 | C02 | C04 | H2 | 179.2° | 174.9° |
| C03 | C02 | C04 | C05 | 179.7° | 174.8° |
| C03 | C02 | C01 | H012 | 180.0° | 2.2° |
| C03 | C02 | C01 | H013 | 60.0° | 122.3° |
| C03 | C02 | C01 | H011 | 60.0° | 117.7° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C03 | C02 | C04 | H2 | 0.3° | 5.1° |
| C02 | C04 | C05 | H2 | 180.0° | 179.9° |
| C02 | C04 | C05 | C06 | 41.8° | 124.2° |
| C04 | C02 | C01 | H012 | 0.1° | 177.7° |
| C04 | C02 | C01 | H013 | 119.9° | 57.7° |
| C04 | C02 | C01 | H011 | 120.1° | 62.3° |
| C04 | C02 | C03 | H031 | 0.5° | 90.0° |
| C04 | C02 | C03 | H033 | 120.5° | 30.0° |
| C04 | C02 | C03 | H032 | 119.5° | 150.0° |
| C02 | C04 | C05 | H052 | 162.2° | 115.8° |
| C02 | C04 | C05 | H051 | 78.5° | 4.1° |
| C04 | C05 | C06 | H052 | 120.3° | 119.9° |
| C04 | C05 | C06 | H051 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 157.0° | 180.0° |
| C04 | C05 | H052 | H051 | 119.1° | 120.0° |
| C04 | C05 | C06 | H062 | 83.6° | 60.1° |
| C04 | C05 | C06 | H061 | 37.5° | 60.0° |
| C05 | C06 | C07 | H062 | 119.4° | 120.0° |
| C05 | C06 | C07 | H061 | 119.4° | 120.0° |
| C05 | C06 | C07 | C08 | 79.2° | 85.0° |
| C05 | C06 | C07 | C09 | 99.7° | 95.0° |
| C06 | C05 | C04 | H2 | 138.2° | 55.7° |
| C06 | C05 | H052 | H051 | 119.1° | 120.1° |
| C05 | C06 | H062 | H061 | 121.7° | 120.1° |
| C06 | C07 | C08 | C09 | 178.8° | 180.0° |
| C07 | C06 | C05 | H052 | 36.7° | 60.0° |
| C07 | C06 | C05 | H051 | 82.8° | 60.0° |
| C07 | C06 | H062 | H061 | 121.7° | 120.0° |
| C06 | C07 | C08 | H083 | 180.0° | 85.1° |
| C06 | C07 | C08 | H082 | 60.0° | 154.9° |
| C06 | C07 | C08 | H081 | 60.0° | 35.0° |
| C06 | C07 | C09 | H4 | 0.9° | 6.4° |
| C08 | C07 | C06 | H062 | 161.4° | 155.0° |
| C08 | C07 | C06 | H061 | 40.3° | 35.0° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H081 | 120.0° | 120.0° |
| C07 | C08 | H082 | H081 | 120.0° | 119.9° |
| C08 | C07 | C09 | H4 | 179.4° | 173.6° |
| C07 | C09 | C10 | H101 | 173.4° | 113.6° |
| C07 | C09 | C10 | H102 | 53.2° | 6.5° |
| C09 | C07 | C06 | H062 | 19.8° | 25.0° |
| C09 | C07 | C06 | H061 | 140.9° | 145.0° |
| C09 | C07 | C08 | H083 | 1.2° | 94.9° |
| C09 | C07 | C08 | H082 | 121.2° | 25.1° |
| C09 | C07 | C08 | H081 | 118.8° | 145.0° |
| C12 | C11 | C10 | H101 | 64.5° | 60.0° |
| C12 | C11 | C10 | H102 | 55.7° | 60.0° |
| C11 | C12 | C13 | H132 | 180.0° | 4.4° |
| C11 | C12 | C13 | H133 | 60.0° | 124.4° |
| C11 | C12 | C13 | H131 | 60.0° | 115.6° |
| C12 | C11 | H112 | H111 | 119.8° | 120.0° |
| C11 | C12 | C14 | H6 | 1.2° | 5.8° |
| C14 | C12 | C13 | H132 | 0.5° | 175.6° |
| C14 | C12 | C13 | H133 | 119.5° | 55.6° |
| C14 | C12 | C13 | H131 | 120.6° | 64.4° |
| C12 | C14 | C15 | H152 | 65.5° | 116.0° |
| C12 | C14 | C15 | H151 | 174.3° | 4.0° |
| C14 | C12 | C11 | H112 | 16.8° | 25.0° |
| C14 | C12 | C11 | H111 | 136.7° | 145.0° |
| C25 | O26 | P27 | O28 | 167.8° | 55.0° |
| C25 | O26 | P27 | O29 | 48.1° | 65.0° |
| C25 | O26 | P27 | O30 | 70.8° | 175.0° |
| O26 | C25 | C24 | H241 | 66.7° | 60.0° |
| O26 | C25 | C24 | H242 | 52.8° | 60.0° |
| O26 | C25 | H252 | H251 | 120.6° | 120.0° |
| C40 | C31 | O30 | O32 | 118.8° | 120.0° |
| C40 | C31 | O30 | H311 | 119.4° | 120.0° |
| C40 | C31 | O32 | H311 | 118.8° | 120.0° |
| C40 | C31 | O32 | C33 | 58.9° | 61.1° |
| C31 | C40 | C38 | C36 | 51.9° | 57.0° |
| C31 | C40 | C38 | O41 | 118.7° | 119.9° |
| C31 | C40 | C38 | H401 | 121.3° | 119.9° |
| C31 | C40 | C38 | O39 | 170.3° | 176.8° |
| C31 | C40 | O41 | H401 | 118.7° | 120.1° |
| C40 | C31 | O30 | P27 | 170.4° | 150.0° |
| C31 | C40 | C38 | H381 | 70.8° | 62.9° |
| C31 | C40 | O41 | H411 | 180.0° | 60.0° |
| O30 | C31 | O32 | H311 | 122.8° | 120.0° |
| O30 | C31 | O32 | C33 | 177.3° | 178.9° |
| O30 | C31 | C40 | C38 | 177.9° | 177.6° |
| O30 | C31 | C40 | O41 | 63.0° | 57.7° |
| C31 | O30 | P27 | O26 | 43.6° | 175.0° |
| C31 | O30 | P27 | O28 | 77.6° | 55.0° |
| C31 | O30 | P27 | O29 | 162.4° | 65.0° |
| O30 | C31 | C40 | H401 | 56.3° | 62.5° |
| C31 | O32 | C33 | C34 | 166.0° | 178.9° |
| C31 | O32 | C33 | C36 | 47.4° | 61.2° |
| O32 | C31 | C40 | C38 | 61.8° | 57.6° |
| O32 | C31 | C40 | O41 | 57.3° | 62.3° |
| O32 | C31 | O30 | P27 | 51.5° | 90.1° |
| C31 | O32 | C33 | H331 | 75.9° | 58.8° |
| O32 | C31 | C40 | H401 | 176.6° | 177.6° |
| C34 | C33 | C36 | O32 | 118.3° | 120.0° |
| C34 | C33 | C36 | H331 | 118.0° | 120.0° |
| C34 | C33 | O32 | H331 | 118.1° | 120.0° |
| C33 | C34 | O35 | H342 | 119.6° | 120.0° |
| C33 | C34 | O35 | H341 | 119.6° | 120.0° |
| C34 | C33 | C36 | C38 | 154.8° | 177.6° |
| C34 | C33 | C36 | O37 | 85.3° | 62.5° |
| C33 | C34 | H342 | H341 | 121.1° | 120.0° |
| C34 | C33 | C36 | H361 | 32.8° | 57.7° |
| C33 | C34 | O35 | H351 | 180.0° | 180.0° |
| C36 | C33 | O32 | H331 | 123.3° | 120.0° |
| C36 | C33 | C34 | O35 | 173.5° | 175.0° |
| C33 | C36 | C38 | O37 | 119.4° | 119.9° |
| C33 | C36 | C38 | H361 | 121.7° | 119.9° |
| C33 | C36 | O37 | H361 | 117.3° | 120.1° |
| C33 | C36 | C38 | C40 | 38.5° | 57.0° |
| C33 | C36 | C38 | O39 | 156.7° | 176.9° |
| C36 | C33 | C34 | H342 | 66.9° | 55.0° |
| C36 | C33 | C34 | H341 | 53.8° | 65.0° |
| C33 | C36 | C38 | H381 | 84.4° | 62.9° |
| C33 | C36 | O37 | H371 | 180.0° | 180.0° |
| O32 | C33 | C34 | O35 | 49.6° | 65.0° |
| O32 | C33 | C36 | C38 | 36.5° | 57.6° |
| O32 | C33 | C36 | O37 | 156.4° | 177.5° |
| C33 | O32 | C31 | H311 | 59.9° | 58.9° |
| O32 | C33 | C34 | H342 | 169.2° | 175.0° |
| O32 | C33 | C34 | H341 | 70.1° | 54.9° |
| O32 | C33 | C36 | H361 | 85.5° | 62.3° |
| O35 | C34 | C33 | H331 | 68.8° | 55.0° |
| O35 | C34 | H342 | H341 | 121.1° | 120.0° |
| C38 | C36 | O37 | H361 | 118.5° | 120.2° |
| C36 | C38 | C40 | O39 | 118.4° | 119.8° |
| C36 | C38 | C40 | H381 | 122.7° | 119.9° |
| C36 | C38 | O39 | H381 | 118.7° | 120.2° |
| C36 | C38 | C40 | O41 | 66.8° | 62.9° |
| C38 | C36 | C33 | H331 | 87.2° | 62.4° |
| C36 | C38 | C40 | H401 | 173.2° | 176.9° |
| C38 | C36 | O37 | H371 | 55.8° | 60.4° |
| C36 | C38 | O39 | H391 | 180.0° | 179.9° |
| O37 | C36 | C38 | C40 | 157.9° | 176.9° |
| O37 | C36 | C38 | O39 | 84.0° | 63.3° |
| O37 | C36 | C33 | H331 | 32.6° | 57.5° |
| O37 | C36 | C38 | H381 | 35.0° | 57.0° |
| C40 | C38 | O39 | H381 | 118.9° | 120.2° |
| C38 | C40 | O41 | H401 | 119.8° | 120.3° |
| C38 | C40 | C31 | H311 | 57.2° | 62.4° |
| C40 | C38 | C36 | H361 | 83.2° | 62.9° |
| C40 | C38 | O39 | H391 | 57.7° | 60.4° |
| C38 | C40 | O41 | H411 | 58.5° | 179.7° |
| O39 | C38 | C40 | O41 | 51.6° | 57.0° |
| O39 | C38 | C36 | H361 | 35.0° | 57.0° |
| O39 | C38 | C40 | H401 | 68.4° | 63.3° |
| O41 | C40 | C31 | H311 | 176.4° | 177.7° |
| O41 | C40 | C38 | H381 | 170.5° | 177.2° |
| O26 | P27 | O28 | O29 | 118.5° | 120.0° |
| O26 | P27 | O28 | O30 | 122.6° | 120.0° |
| O26 | P27 | O29 | O30 | 120.9° | 120.0° |
| P27 | O26 | C25 | H252 | 15.0° | 60.0° |
| P27 | O26 | C25 | H251 | 135.4° | 60.0° |
| O26 | P27 | O29 | H7 | 119.3° | 60.0° |
| O28 | P27 | O29 | O30 | 119.8° | 120.0° |
| O28 | P27 | O29 | H7 | 0.0° | 180.0° |
| P27 | O30 | C31 | H311 | 70.3° | 30.0° |
| O30 | P27 | O29 | H7 | 119.8° | 60.0° |
| H101 | C10 | C09 | H4 | 6.6° | 66.4° |
| H101 | C10 | C11 | H112 | 175.4° | 180.0° |
| H101 | C10 | C11 | H111 | 55.6° | 60.0° |
| H102 | C10 | C09 | H4 | 126.8° | 173.6° |
| H102 | C10 | C11 | H112 | 64.3° | 60.0° |
| H102 | C10 | C11 | H111 | 175.8° | 180.0° |
| H132 | C13 | H133 | H131 | 120.0° | 120.1° |
| H152 | C15 | C14 | H6 | 114.4° | 64.1° |
| H152 | C15 | C16 | H161 | 127.4° | 180.0° |
| H152 | C15 | C16 | H162 | 113.3° | 60.0° |
| H151 | C15 | C14 | H6 | 5.7° | 175.9° |
| H151 | C15 | C16 | H161 | 7.3° | 60.0° |
| H151 | C15 | C16 | H162 | 126.6° | 180.0° |
| H201 | C20 | C21 | H211 | 87.8° | 60.0° |
| H201 | C20 | C21 | H212 | 153.6° | 180.0° |
| H201 | C20 | C19 | H191 | 155.0° | 178.2° |
| H202 | C20 | C21 | H211 | 151.7° | 180.0° |
| H202 | C20 | C21 | H212 | 33.2° | 60.0° |
| H202 | C20 | C19 | H191 | 34.5° | 61.8° |
| H211 | C21 | C22 | H221 | 72.0° | 65.0° |
| H212 | C21 | C22 | H221 | 46.5° | 175.0° |
| H221 | C22 | C24 | H241 | 176.4° | 65.0° |
| H221 | C22 | C24 | H242 | 56.9° | 175.0° |
| H221 | C22 | C23 | H233 | 60.3° | 180.0° |
| H221 | C22 | C23 | H232 | 179.6° | 60.0° |
| H221 | C22 | C23 | H231 | 59.6° | 59.9° |
| H241 | C24 | C25 | H252 | 173.4° | 179.9° |
| H241 | C24 | C25 | H251 | 53.1° | 60.0° |
| H242 | C24 | C25 | H252 | 67.1° | 59.9° |
| H242 | C24 | C25 | H251 | 172.6° | 180.0° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H031 | C03 | H033 | H032 | 120.0° | 119.9° |
| H2 | C04 | C05 | H052 | 17.8° | 64.3° |
| H2 | C04 | C05 | H051 | 101.5° | 175.7° |
| H052 | C05 | C06 | H062 | 156.1° | 180.0° |
| H052 | C05 | C06 | H061 | 82.8° | 60.0° |
| H051 | C05 | C06 | H062 | 36.7° | 60.0° |
| H051 | C05 | C06 | H061 | 157.8° | 180.0° |
| H083 | C08 | H082 | H081 | 120.0° | 120.1° |
| H183 | C18 | H181 | H182 | 120.0° | 120.0° |
| H233 | C23 | H232 | H231 | 120.0° | 120.0° |
| H311 | C31 | C40 | H401 | 64.4° | 57.5° |
| H331 | C33 | C34 | H342 | 50.8° | 65.0° |
| H331 | C33 | C34 | H341 | 171.5° | 175.0° |
| H331 | C33 | C36 | H361 | 150.8° | 177.7° |
| H342 | C34 | O35 | H351 | 60.4° | 60.0° |
| H341 | C34 | O35 | H351 | 60.4° | 60.0° |
| H361 | C36 | C38 | H381 | 153.9° | 177.2° |
| H361 | C36 | O37 | H371 | 62.7° | 59.9° |
| H381 | C38 | C40 | H401 | 50.5° | 57.0° |
| H381 | C38 | O39 | H391 | 61.3° | 59.9° |
| H401 | C40 | O41 | H411 | 61.4° | 60.1° |
