A1EQ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C29 | sing | 1.43Å | 1.41Å | |
| C30 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C16 | C04 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.57Å | |
| C26 | C23 | sing | 1.53Å | 1.55Å | |
| C20 | C10 | sing | 1.53Å | 1.53Å | |
| C15 | C23 | sing | 1.53Å | 1.59Å | |
| C15 | C25 | sing | 1.53Å | 1.55Å | |
| C15 | C08 | sing | 1.53Å | 1.42Å | |
| C12 | C09 | sing | 1.54Å | 1.62Å | |
| C12 | C07 | sing | 1.53Å | 1.60Å | |
| C04 | C09 | sing | 1.52Å | 1.27Å | |
| C04 | C08 | sing | 1.53Å | 1.67Å | |
| C04 | C05 | sing | 1.55Å | 1.56Å | |
| C13 | C08 | sing | 1.55Å | 1.55Å | |
| C13 | C11 | sing | 1.55Å | 1.75Å | |
| C10 | C07 | sing | 1.52Å | 1.79Å | |
| C10 | C17 | sing | 1.50Å | 1.46Å | |
| C10 | C18 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.29Å | |
| C06 | C05 | sing | 1.52Å | 1.58Å | |
| C06 | C14 | sing | 1.53Å | 1.78Å | |
| C11 | C05 | sing | 1.53Å | 1.65Å | |
| C21 | C17 | sing | 1.52Å | 1.57Å | |
| C21 | C24 | sing | 1.53Å | 1.46Å | |
| C17 | C19 | doub | 1.30Å | 1.61Å | |
| O01 | C14 | sing | 1.43Å | 1.28Å | |
| C22 | C18 | sing | 1.53Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.49Å | |
| O02 | C24 | sing | 1.43Å | 1.48Å | |
| C19 | C14 | sing | 1.50Å | 1.53Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | 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 | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C29 | C28 | 109.5° | 109.5° |
| C29 | O03 | H031 | 109.5° | 114.0° |
| O03 | C29 | H292 | 109.5° | 109.5° |
| O03 | C29 | H291 | 109.5° | 109.4° |
| C30 | C28 | C29 | 109.5° | 109.5° |
| C30 | C28 | C27 | 109.5° | 109.5° |
| C30 | C28 | H281 | 109.5° | 109.4° |
| C28 | C30 | H303 | 109.5° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.4° |
| C28 | C30 | H302 | 109.5° | 109.5° |
| C29 | C28 | C27 | 109.6° | 109.5° |
| C29 | C28 | H281 | 109.3° | 109.4° |
| C28 | C29 | H292 | 109.5° | 109.4° |
| C28 | C29 | H291 | 109.5° | 109.4° |
| C28 | C27 | C26 | 109.6° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C28 | C27 | H271 | 109.4° | 109.5° |
| C28 | C27 | H272 | 109.4° | 109.5° |
| C16 | C04 | C09 | 105.0° | 109.8° |
| C16 | C04 | C08 | 106.0° | 109.8° |
| C16 | C04 | C05 | 105.4° | 110.1° |
| C04 | C16 | H163 | 109.5° | 109.4° |
| C04 | C16 | H162 | 109.5° | 109.5° |
| C04 | C16 | H161 | 109.5° | 109.5° |
| C27 | C26 | C23 | 109.5° | 109.5° |
| C27 | C26 | H262 | 109.4° | 109.4° |
| C27 | C26 | H261 | 109.5° | 109.5° |
| C26 | C27 | H271 | 109.4° | 109.4° |
| C26 | C27 | H272 | 109.4° | 109.5° |
| C26 | C23 | C15 | 109.6° | 109.4° |
| C23 | C26 | H262 | 109.4° | 109.5° |
| C23 | C26 | H261 | 109.4° | 109.5° |
| C26 | C23 | H232 | 109.4° | 109.5° |
| C26 | C23 | H231 | 109.5° | 109.5° |
| C20 | C10 | C07 | 109.3° | 108.2° |
| C20 | C10 | C17 | 109.2° | 108.2° |
| C20 | C10 | C18 | 109.1° | 107.6° |
| C10 | C20 | H202 | 109.5° | 109.4° |
| C10 | C20 | H201 | 109.5° | 109.5° |
| C10 | C20 | H203 | 109.5° | 109.4° |
| C23 | C15 | C25 | 109.2° | 109.5° |
| C23 | C15 | C08 | 109.2° | 109.5° |
| C23 | C15 | H151 | 108.7° | 109.5° |
| C15 | C23 | H232 | 109.5° | 109.5° |
| C15 | C23 | H231 | 109.4° | 109.4° |
| C25 | C15 | C08 | 109.6° | 109.5° |
| C25 | C15 | H151 | 109.2° | 109.5° |
| C15 | C25 | H252 | 109.5° | 109.5° |
| C15 | C25 | H251 | 109.5° | 109.5° |
| C15 | C25 | H253 | 109.5° | 109.5° |
| C15 | C08 | C04 | 112.0° | 110.3° |
| C15 | C08 | C13 | 110.3° | 110.3° |
| C08 | C15 | H151 | 111.0° | 109.4° |
| C15 | C08 | H081 | 111.7° | 110.2° |
| C09 | C12 | C07 | 111.6° | 111.7° |
| C12 | C09 | C04 | 111.7° | 107.1° |
| C12 | C09 | H092 | 108.9° | 109.9° |
| C12 | C09 | H091 | 108.9° | 110.0° |
| C09 | C12 | H122 | 108.9° | 109.0° |
| C09 | C12 | H121 | 108.9° | 109.0° |
| C12 | C07 | C10 | 109.1° | 109.7° |
| C12 | C07 | C06 | 111.3° | 111.8° |
| C12 | C07 | H071 | 107.0° | 107.9° |
| C07 | C12 | H122 | 108.9° | 109.0° |
| C07 | C12 | H121 | 108.9° | 109.1° |
| C09 | C04 | C08 | 121.7° | 116.4° |
| C09 | C04 | C05 | 112.9° | 107.1° |
| C04 | C09 | H092 | 108.9° | 110.0° |
| C04 | C09 | H091 | 108.9° | 109.9° |
| C08 | C04 | C05 | 104.5° | 103.3° |
| C04 | C08 | C13 | 104.5° | 105.3° |
| C04 | C08 | H081 | 108.3° | 110.3° |
| C04 | C05 | C06 | 113.3° | 107.3° |
| C04 | C05 | C11 | 104.8° | 101.7° |
| C04 | C05 | H051 | 105.3° | 110.4° |
| C08 | C13 | C11 | 104.3° | 106.4° |
| C08 | C13 | H132 | 110.7° | 110.1° |
| C08 | C13 | H131 | 110.8° | 110.1° |
| C13 | C08 | H081 | 109.8° | 110.3° |
| C13 | C11 | C05 | 104.7° | 103.0° |
| C11 | C13 | H132 | 110.7° | 110.0° |
| C11 | C13 | H131 | 110.7° | 110.1° |
| C13 | C11 | H112 | 110.6° | 110.7° |
| C13 | C11 | H111 | 110.6° | 110.7° |
| C07 | C10 | C17 | 112.8° | 113.3° |
| C07 | C10 | C18 | 104.3° | 110.0° |
| C10 | C07 | C06 | 112.6° | 110.5° |
| C10 | C07 | H071 | 105.2° | 108.4° |
| C17 | C10 | C18 | 111.9° | 109.4° |
| C10 | C17 | C21 | 111.7° | 117.8° |
| C10 | C17 | C19 | 123.0° | 123.9° |
| C10 | C18 | C22 | 112.1° | 109.4° |
| C10 | C18 | H181 | 108.8° | 109.5° |
| C10 | C18 | H182 | 108.8° | 109.5° |
| C07 | C06 | C05 | 111.3° | 107.6° |
| C07 | C06 | C14 | 112.3° | 108.1° |
| C07 | C06 | H061 | 111.5° | 110.3° |
| C06 | C07 | H071 | 111.3° | 108.4° |
| C05 | C06 | C14 | 108.8° | 109.5° |
| C06 | C05 | C11 | 122.4° | 115.8° |
| C06 | C05 | H051 | 105.1° | 110.8° |
| C05 | C06 | H061 | 107.4° | 110.2° |
| C06 | C14 | O01 | 108.7° | 109.5° |
| C06 | C14 | C19 | 113.0° | 109.2° |
| C14 | C06 | H061 | 105.4° | 111.0° |
| C06 | C14 | H141 | 105.8° | 109.6° |
| C11 | C05 | H051 | 104.4° | 110.4° |
| C05 | C11 | H112 | 110.6° | 110.7° |
| C05 | C11 | H111 | 110.7° | 110.7° |
| C17 | C21 | C24 | 112.3° | 108.4° |
| C21 | C17 | C19 | 125.3° | 118.3° |
| C17 | C21 | H211 | 108.8° | 109.6° |
| C17 | C21 | H212 | 108.7° | 109.7° |
| C21 | C24 | C22 | 112.3° | 109.5° |
| C21 | C24 | O02 | 108.8° | 109.4° |
| C24 | C21 | H211 | 108.7° | 109.7° |
| C24 | C21 | H212 | 108.8° | 109.7° |
| C21 | C24 | H241 | 109.2° | 109.5° |
| C17 | C19 | C14 | 118.6° | 123.0° |
| C17 | C19 | H191 | 120.7° | 118.5° |
| O01 | C14 | C19 | 108.8° | 109.5° |
| C14 | O01 | H011 | 109.5° | 114.0° |
| O01 | C14 | H141 | 112.1° | 109.5° |
| C18 | C22 | C24 | 112.2° | 109.7° |
| C18 | C22 | H221 | 108.8° | 109.5° |
| C18 | C22 | H222 | 108.8° | 109.4° |
| C22 | C18 | H181 | 108.8° | 109.5° |
| C22 | C18 | H182 | 108.8° | 109.5° |
| C22 | C24 | O02 | 108.7° | 109.5° |
| C24 | C22 | H221 | 108.8° | 109.4° |
| C24 | C22 | H222 | 108.8° | 109.4° |
| C22 | C24 | H241 | 108.8° | 109.5° |
| O02 | C24 | H241 | 109.0° | 109.5° |
| C24 | O02 | H021 | 109.5° | 113.9° |
| C19 | C14 | H141 | 108.4° | 109.6° |
| C14 | C19 | H191 | 120.7° | 118.5° |
| H132 | C13 | H131 | 109.5° | 110.2° |
| H202 | C20 | H201 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.7° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.8° |
| H112 | C11 | H111 | 109.5° | 110.8° |
| H122 | C12 | H121 | 109.5° | 108.9° |
| H163 | C16 | H162 | 109.5° | 109.4° |
| H163 | C16 | H161 | 109.4° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H252 | C25 | H253 | 109.4° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.4° | 109.5° |
| H303 | C30 | H302 | 109.4° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C29 | C28 | C30 | 76.7° | 65.0° |
| O03 | C29 | C28 | H292 | 120.0° | 120.0° |
| O03 | C29 | C28 | H291 | 120.0° | 119.9° |
| O03 | C29 | C28 | C27 | 163.2° | 174.9° |
| O03 | C29 | C28 | H281 | 43.2° | 54.9° |
| O03 | C29 | H292 | H291 | 120.0° | 120.0° |
| C30 | C28 | C29 | C27 | 120.1° | 120.1° |
| C30 | C28 | C29 | H281 | 120.0° | 119.9° |
| C30 | C28 | C27 | H281 | 120.1° | 120.0° |
| C30 | C28 | C27 | C26 | 118.2° | 65.0° |
| C30 | C28 | C27 | H271 | 121.8° | 55.0° |
| C30 | C28 | C27 | H272 | 1.8° | 175.0° |
| C30 | C28 | C29 | H292 | 163.3° | 55.0° |
| C30 | C28 | C29 | H291 | 43.3° | 175.1° |
| C28 | C30 | H303 | H301 | 120.0° | 120.0° |
| C28 | C30 | H303 | H302 | 120.0° | 120.0° |
| C28 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C28 | C27 | H281 | 119.8° | 120.0° |
| C29 | C28 | C27 | C26 | 121.8° | 175.0° |
| C28 | C29 | O03 | H031 | 180.0° | 180.0° |
| C29 | C28 | C27 | H271 | 1.7° | 65.1° |
| C29 | C28 | C27 | H272 | 118.2° | 55.0° |
| C28 | C29 | H292 | H291 | 120.0° | 120.0° |
| C29 | C28 | C30 | H303 | 180.0° | 179.9° |
| C29 | C28 | C30 | H301 | 60.0° | 60.0° |
| C29 | C28 | C30 | H302 | 60.0° | 60.0° |
| C28 | C27 | C26 | H271 | 120.0° | 120.0° |
| C28 | C27 | C26 | H272 | 120.0° | 120.1° |
| C28 | C27 | C26 | C23 | 142.7° | 180.0° |
| C28 | C27 | C26 | H262 | 22.7° | 60.0° |
| C28 | C27 | C26 | H261 | 97.3° | 59.9° |
| C28 | C27 | H271 | H272 | 119.9° | 120.1° |
| C27 | C28 | C29 | H292 | 43.2° | 65.0° |
| C27 | C28 | C29 | H291 | 76.8° | 55.0° |
| C27 | C28 | C30 | H303 | 59.9° | 60.0° |
| C27 | C28 | C30 | H301 | 60.1° | 60.0° |
| C27 | C28 | C30 | H302 | 179.9° | 180.0° |
| C16 | C04 | C08 | C15 | 51.4° | 30.8° |
| C16 | C04 | C09 | C12 | 62.4° | 54.6° |
| C16 | C04 | C09 | C08 | 120.1° | 125.6° |
| C16 | C04 | C09 | C05 | 114.3° | 119.5° |
| C16 | C04 | C08 | C05 | 111.1° | 117.4° |
| C16 | C04 | C08 | C13 | 68.0° | 88.2° |
| C16 | C04 | C05 | C06 | 60.6° | 49.1° |
| C16 | C04 | C05 | C11 | 75.3° | 72.9° |
| C16 | C04 | C05 | H051 | 174.9° | 170.0° |
| C16 | C04 | C08 | H081 | 175.0° | 152.8° |
| C16 | C04 | C09 | H092 | 177.3° | 64.8° |
| C16 | C04 | C09 | H091 | 57.9° | 174.1° |
| C04 | C16 | H163 | H162 | 120.0° | 120.0° |
| C04 | C16 | H163 | H161 | 120.0° | 120.0° |
| C04 | C16 | H162 | H161 | 120.0° | 120.1° |
| C27 | C26 | C23 | H262 | 120.0° | 120.0° |
| C27 | C26 | C23 | H261 | 120.0° | 120.0° |
| C27 | C26 | C23 | C15 | 168.1° | 180.0° |
| C27 | C26 | H262 | H261 | 120.0° | 119.9° |
| C26 | C27 | C28 | H281 | 1.9° | 55.0° |
| C27 | C26 | C23 | H232 | 71.9° | 60.0° |
| C27 | C26 | C23 | H231 | 48.1° | 60.0° |
| C26 | C27 | H271 | H272 | 119.9° | 120.0° |
| C26 | C23 | C15 | H232 | 120.0° | 120.0° |
| C26 | C23 | C15 | H231 | 120.0° | 120.0° |
| C26 | C23 | C15 | C25 | 54.4° | 65.0° |
| C26 | C23 | C15 | C08 | 174.2° | 175.0° |
| C26 | C23 | C15 | H151 | 64.6° | 55.0° |
| C23 | C26 | H262 | H261 | 119.9° | 120.1° |
| C26 | C23 | H232 | H231 | 120.0° | 120.0° |
| C23 | C26 | C27 | H271 | 97.3° | 60.0° |
| C23 | C26 | C27 | H272 | 22.7° | 60.0° |
| C20 | C10 | C07 | C12 | 48.0° | 40.7° |
| C20 | C10 | C07 | C17 | 121.7° | 120.0° |
| C20 | C10 | C07 | C18 | 116.6° | 117.3° |
| C20 | C10 | C17 | C18 | 120.9° | 116.9° |
| C20 | C10 | C07 | C06 | 76.1° | 83.0° |
| C20 | C10 | C17 | C21 | 69.0° | 65.8° |
| C20 | C10 | C17 | C19 | 110.9° | 114.3° |
| C20 | C10 | C18 | C22 | 67.8° | 63.0° |
| C10 | C20 | H202 | H201 | 120.0° | 120.0° |
| C10 | C20 | H202 | H203 | 120.0° | 119.9° |
| C10 | C20 | H201 | H203 | 120.0° | 120.0° |
| C20 | C10 | C07 | H071 | 162.4° | 158.3° |
| C20 | C10 | C18 | H181 | 52.6° | 56.9° |
| C20 | C10 | C18 | H182 | 171.8° | 177.0° |
| C23 | C15 | C25 | C08 | 119.6° | 120.0° |
| C23 | C15 | C25 | H151 | 118.7° | 120.0° |
| C23 | C15 | C08 | H151 | 119.7° | 120.0° |
| C23 | C15 | C08 | C04 | 173.2° | 177.3° |
| C23 | C15 | C08 | C13 | 57.2° | 61.4° |
| C15 | C23 | C26 | H262 | 48.1° | 60.0° |
| C15 | C23 | C26 | H261 | 71.9° | 60.0° |
| C23 | C15 | C08 | H081 | 65.2° | 60.6° |
| C15 | C23 | H232 | H231 | 120.0° | 120.0° |
| C23 | C15 | C25 | H252 | 180.0° | 180.0° |
| C23 | C15 | C25 | H251 | 60.0° | 60.0° |
| C23 | C15 | C25 | H253 | 60.0° | 60.1° |
| C25 | C15 | C08 | H151 | 120.7° | 120.1° |
| C25 | C15 | C08 | C04 | 67.2° | 62.7° |
| C25 | C15 | C08 | C13 | 176.8° | 178.6° |
| C25 | C15 | C08 | H081 | 54.5° | 59.4° |
| C25 | C15 | C23 | H232 | 65.6° | 175.0° |
| C25 | C15 | C23 | H231 | 174.4° | 55.0° |
| C15 | C25 | H252 | H251 | 120.0° | 120.0° |
| C15 | C25 | H252 | H253 | 120.0° | 120.0° |
| C15 | C25 | H251 | H253 | 120.0° | 120.1° |
| C15 | C08 | C04 | C09 | 68.2° | 94.8° |
| C15 | C08 | C04 | C13 | 119.4° | 119.0° |
| C15 | C08 | C04 | H081 | 123.6° | 122.0° |
| C15 | C08 | C04 | C05 | 162.5° | 148.2° |
| C15 | C08 | C13 | H081 | 123.5° | 122.0° |
| C15 | C08 | C13 | C11 | 150.5° | 122.4° |
| C15 | C08 | C13 | H132 | 90.3° | 118.4° |
| C15 | C08 | C13 | H131 | 31.4° | 3.2° |
| C08 | C15 | C23 | H232 | 54.2° | 54.9° |
| C08 | C15 | C23 | H231 | 65.7° | 65.1° |
| C08 | C15 | C25 | H252 | 60.4° | 60.0° |
| C08 | C15 | C25 | H251 | 179.6° | 180.0° |
| C08 | C15 | C25 | H253 | 59.6° | 59.9° |
| C09 | C12 | C07 | H122 | 120.3° | 120.6° |
| C09 | C12 | C07 | H121 | 120.3° | 120.6° |
| C12 | C09 | C04 | H092 | 120.3° | 119.4° |
| C12 | C09 | C04 | H091 | 120.3° | 119.5° |
| C12 | C09 | C04 | C08 | 177.5° | 179.9° |
| C12 | C09 | C04 | C05 | 51.9° | 64.9° |
| C09 | C12 | C07 | C10 | 178.3° | 176.8° |
| C09 | C12 | C07 | C06 | 53.4° | 53.8° |
| C09 | C12 | C07 | H071 | 68.4° | 65.3° |
| C12 | C09 | H092 | H091 | 119.0° | 121.2° |
| C09 | C12 | H122 | H121 | 119.0° | 118.9° |
| C07 | C12 | C09 | C04 | 52.1° | 57.5° |
| C12 | C07 | C10 | C06 | 124.1° | 123.8° |
| C12 | C07 | C10 | H071 | 114.5° | 117.6° |
| C12 | C07 | C10 | C17 | 169.6° | 160.7° |
| C12 | C07 | C10 | C18 | 68.6° | 76.5° |
| C12 | C07 | C06 | H071 | 119.3° | 118.8° |
| C12 | C07 | C06 | C05 | 53.9° | 56.4° |
| C12 | C07 | C06 | C14 | 176.1° | 174.6° |
| C12 | C07 | C06 | H061 | 65.9° | 63.9° |
| C07 | C12 | C09 | H092 | 68.2° | 176.9° |
| C07 | C12 | C09 | H091 | 172.4° | 62.0° |
| C07 | C12 | H122 | H121 | 119.0° | 118.9° |
| C09 | C04 | C08 | C05 | 129.3° | 117.0° |
| C09 | C04 | C08 | C13 | 172.3° | 146.3° |
| C09 | C04 | C05 | C06 | 53.5° | 70.2° |
| C09 | C04 | C05 | C11 | 170.6° | 167.8° |
| C09 | C04 | C05 | H051 | 60.8° | 50.7° |
| C09 | C04 | C08 | H081 | 55.4° | 27.2° |
| C04 | C09 | H092 | H091 | 119.0° | 121.1° |
| C04 | C09 | C12 | H122 | 68.3° | 178.0° |
| C04 | C09 | C12 | H121 | 172.4° | 63.2° |
| C09 | C04 | C16 | H163 | 180.0° | 60.7° |
| C09 | C04 | C16 | H162 | 60.0° | 179.3° |
| C09 | C04 | C16 | H161 | 60.0° | 59.3° |
| C04 | C08 | C13 | H081 | 115.9° | 119.1° |
| C04 | C08 | C13 | C11 | 30.0° | 3.5° |
| C08 | C04 | C05 | C06 | 172.1° | 166.3° |
| C08 | C04 | C05 | C11 | 36.2° | 44.3° |
| C04 | C08 | C13 | H132 | 149.1° | 122.6° |
| C04 | C08 | C13 | H131 | 89.2° | 115.8° |
| C04 | C08 | C15 | H151 | 53.5° | 57.4° |
| C08 | C04 | C05 | H051 | 73.6° | 72.8° |
| C08 | C04 | C09 | H092 | 57.2° | 60.7° |
| C08 | C04 | C09 | H091 | 62.2° | 60.3° |
| C08 | C04 | C16 | H163 | 49.9° | 170.0° |
| C08 | C04 | C16 | H162 | 70.1° | 50.1° |
| C08 | C04 | C16 | H161 | 169.9° | 70.0° |
| C05 | C04 | C08 | C13 | 43.1° | 29.2° |
| C04 | C05 | C11 | C13 | 17.7° | 41.6° |
| C04 | C05 | C06 | C07 | 54.2° | 63.9° |
| C04 | C05 | C06 | C11 | 127.1° | 112.7° |
| C04 | C05 | C06 | H051 | 114.4° | 120.6° |
| C04 | C05 | C06 | C14 | 178.4° | 178.8° |
| C04 | C05 | C11 | H051 | 110.4° | 117.2° |
| C04 | C05 | C06 | H061 | 68.0° | 56.4° |
| C05 | C04 | C08 | H081 | 73.9° | 89.8° |
| C05 | C04 | C09 | H092 | 68.4° | 175.6° |
| C05 | C04 | C09 | H091 | 172.3° | 54.6° |
| C04 | C05 | C11 | H112 | 136.9° | 160.0° |
| C04 | C05 | C11 | H111 | 101.5° | 76.8° |
| C05 | C04 | C16 | H163 | 60.5° | 56.9° |
| C05 | C04 | C16 | H162 | 179.5° | 63.0° |
| C05 | C04 | C16 | H161 | 59.5° | 176.9° |
| C08 | C13 | C11 | H132 | 119.2° | 119.2° |
| C08 | C13 | C11 | H131 | 119.2° | 119.2° |
| C08 | C13 | C11 | C05 | 8.7° | 23.9° |
| C08 | C13 | H132 | H131 | 122.4° | 121.5° |
| C13 | C08 | C15 | H151 | 62.5° | 58.5° |
| C08 | C13 | C11 | H112 | 110.6° | 142.3° |
| C08 | C13 | C11 | H111 | 127.9° | 94.4° |
| C13 | C11 | C05 | C06 | 148.4° | 157.4° |
| C13 | C11 | C05 | H112 | 119.2° | 118.4° |
| C13 | C11 | C05 | H111 | 119.3° | 118.3° |
| C11 | C13 | H132 | H131 | 122.4° | 121.6° |
| C13 | C11 | C05 | H051 | 92.7° | 75.6° |
| C11 | C13 | C08 | H081 | 86.0° | 115.6° |
| C13 | C11 | H112 | H111 | 122.2° | 123.2° |
| C07 | C10 | C17 | C18 | 117.3° | 123.1° |
| C10 | C07 | C06 | H071 | 117.9° | 118.6° |
| C10 | C07 | C06 | C05 | 176.8° | 178.9° |
| C10 | C07 | C06 | C14 | 61.1° | 62.9° |
| C07 | C10 | C17 | C21 | 169.3° | 174.3° |
| C07 | C10 | C17 | C19 | 10.8° | 5.7° |
| C07 | C10 | C18 | C22 | 175.4° | 179.3° |
| C07 | C10 | C20 | H202 | 180.0° | 60.0° |
| C07 | C10 | C20 | H201 | 60.0° | 180.0° |
| C07 | C10 | C20 | H203 | 60.0° | 60.0° |
| C10 | C07 | C06 | H061 | 56.9° | 58.7° |
| C10 | C07 | C12 | H122 | 58.0° | 62.6° |
| C10 | C07 | C12 | H121 | 61.4° | 56.2° |
| C07 | C10 | C18 | H181 | 64.1° | 60.8° |
| C07 | C10 | C18 | H182 | 55.1° | 59.3° |
| C17 | C10 | C07 | C06 | 45.5° | 36.9° |
| C10 | C17 | C21 | C19 | 179.9° | 180.0° |
| C10 | C17 | C21 | C24 | 52.8° | 51.5° |
| C17 | C10 | C18 | C22 | 53.2° | 54.3° |
| C10 | C17 | C19 | C14 | 0.1° | 0.4° |
| C17 | C10 | C20 | H202 | 56.2° | 176.9° |
| C17 | C10 | C20 | H201 | 63.8° | 56.9° |
| C17 | C10 | C20 | H203 | 176.2° | 63.1° |
| C10 | C17 | C21 | H211 | 173.3° | 171.2° |
| C10 | C17 | C21 | H212 | 67.6° | 68.2° |
| C17 | C10 | C07 | H071 | 75.9° | 81.7° |
| C17 | C10 | C18 | H181 | 173.6° | 174.2° |
| C17 | C10 | C18 | H182 | 67.2° | 65.7° |
| C10 | C17 | C19 | H191 | 179.9° | 179.5° |
| C18 | C10 | C07 | C06 | 167.3° | 159.7° |
| C18 | C10 | C17 | C21 | 51.9° | 51.2° |
| C18 | C10 | C17 | C19 | 128.1° | 128.8° |
| C10 | C18 | C22 | H181 | 120.4° | 119.9° |
| C10 | C18 | C22 | H182 | 120.4° | 120.0° |
| C10 | C18 | C22 | C24 | 53.0° | 62.8° |
| C18 | C10 | C20 | H202 | 66.5° | 58.8° |
| C18 | C10 | C20 | H201 | 173.5° | 61.2° |
| C18 | C10 | C20 | H203 | 53.5° | 178.8° |
| C10 | C18 | C22 | H221 | 67.3° | 177.1° |
| C10 | C18 | C22 | H222 | 173.5° | 57.2° |
| C18 | C10 | C07 | H071 | 45.8° | 41.1° |
| C10 | C18 | H181 | H182 | 118.8° | 120.1° |
| C07 | C06 | C05 | C14 | 124.2° | 117.3° |
| C07 | C06 | C05 | H061 | 122.2° | 120.3° |
| C07 | C06 | C14 | H061 | 121.5° | 121.1° |
| C07 | C06 | C05 | C11 | 178.7° | 176.6° |
| C07 | C06 | C14 | O01 | 169.2° | 176.0° |
| C07 | C06 | C14 | C19 | 48.2° | 56.1° |
| C07 | C06 | C05 | H051 | 60.2° | 56.7° |
| C06 | C07 | C12 | H122 | 66.9° | 174.4° |
| C06 | C07 | C12 | H121 | 173.7° | 66.8° |
| C07 | C06 | C14 | H141 | 70.3° | 63.9° |
| C05 | C06 | C14 | H061 | 114.9° | 121.9° |
| C06 | C05 | C11 | H051 | 118.8° | 126.9° |
| C05 | C06 | C14 | O01 | 67.3° | 67.0° |
| C05 | C06 | C14 | C19 | 171.8° | 173.1° |
| C05 | C06 | C07 | H071 | 65.4° | 62.4° |
| C06 | C05 | C11 | H112 | 92.4° | 84.2° |
| C06 | C05 | C11 | H111 | 29.2° | 39.1° |
| C05 | C06 | C14 | H141 | 53.3° | 53.0° |
| C14 | C06 | C05 | C11 | 54.5° | 66.1° |
| C06 | C14 | C19 | C17 | 13.5° | 26.4° |
| C06 | C14 | O01 | C19 | 123.5° | 119.7° |
| C06 | C14 | O01 | H141 | 116.6° | 120.1° |
| C06 | C14 | C19 | H141 | 117.0° | 120.0° |
| C06 | C14 | O01 | H011 | 180.0° | 180.0° |
| C14 | C06 | C05 | H051 | 64.0° | 60.6° |
| C14 | C06 | C07 | H071 | 56.8° | 55.8° |
| C06 | C14 | C19 | H191 | 166.5° | 153.5° |
| C05 | C11 | C13 | H132 | 127.8° | 95.3° |
| C05 | C11 | C13 | H131 | 110.5° | 143.1° |
| C11 | C05 | C06 | H061 | 59.1° | 56.3° |
| C05 | C11 | H112 | H111 | 122.2° | 123.2° |
| C17 | C21 | C24 | H211 | 120.4° | 119.7° |
| C17 | C21 | C24 | H212 | 120.4° | 119.7° |
| C17 | C21 | C24 | C22 | 52.9° | 55.3° |
| C17 | C21 | C24 | O02 | 173.3° | 175.2° |
| C21 | C17 | C19 | C14 | 180.0° | 179.5° |
| C17 | C21 | H211 | H212 | 118.7° | 120.5° |
| C17 | C21 | C24 | H241 | 67.9° | 64.8° |
| C21 | C17 | C19 | H191 | 0.0° | 0.5° |
| C24 | C21 | C17 | C19 | 127.2° | 128.4° |
| C21 | C24 | C22 | C18 | 53.8° | 63.8° |
| C21 | C24 | C22 | O02 | 120.4° | 119.9° |
| C21 | C24 | C22 | H241 | 121.0° | 120.0° |
| C21 | C24 | O02 | H241 | 119.0° | 120.0° |
| C24 | C21 | H211 | H212 | 118.7° | 120.6° |
| C21 | C24 | C22 | H221 | 66.6° | 176.1° |
| C21 | C24 | C22 | H222 | 174.2° | 56.2° |
| C21 | C24 | O02 | H021 | 180.0° | 180.0° |
| C17 | C19 | C14 | O01 | 134.4° | 146.3° |
| C17 | C19 | C14 | H191 | 180.0° | 179.9° |
| C19 | C17 | C21 | H211 | 6.8° | 8.7° |
| C19 | C17 | C21 | H212 | 112.3° | 111.8° |
| C17 | C19 | C14 | H141 | 103.5° | 93.6° |
| O01 | C14 | C19 | H141 | 122.2° | 120.1° |
| O01 | C14 | C06 | H061 | 47.6° | 54.9° |
| O01 | C14 | C19 | H191 | 45.6° | 33.6° |
| C18 | C22 | C24 | H221 | 120.4° | 120.1° |
| C18 | C22 | C24 | H222 | 120.4° | 120.0° |
| C18 | C22 | C24 | O02 | 174.2° | 176.3° |
| C18 | C22 | H221 | H222 | 118.8° | 119.9° |
| C18 | C22 | C24 | H241 | 67.2° | 56.2° |
| C22 | C18 | H181 | H182 | 118.8° | 120.0° |
| C22 | C24 | O02 | H241 | 118.5° | 120.1° |
| C22 | C24 | C21 | H211 | 173.3° | 174.9° |
| C22 | C24 | C21 | H212 | 67.5° | 64.5° |
| C24 | C22 | H221 | H222 | 118.8° | 119.9° |
| C22 | C24 | O02 | H021 | 57.5° | 60.0° |
| C24 | C22 | C18 | H181 | 173.5° | 177.2° |
| C24 | C22 | C18 | H182 | 67.3° | 57.2° |
| O02 | C24 | C21 | H211 | 66.3° | 65.1° |
| O02 | C24 | C21 | H212 | 52.8° | 55.5° |
| O02 | C24 | C22 | H221 | 53.8° | 56.2° |
| O02 | C24 | C22 | H222 | 65.4° | 63.7° |
| C19 | C14 | O01 | H011 | 56.5° | 60.3° |
| C19 | C14 | C06 | H061 | 73.3° | 65.0° |
| H132 | C13 | C08 | H081 | 33.2° | 3.6° |
| H132 | C13 | C11 | H112 | 8.6° | 23.1° |
| H132 | C13 | C11 | H111 | 112.9° | 146.4° |
| H131 | C13 | C08 | H081 | 154.9° | 125.2° |
| H131 | C13 | C11 | H112 | 130.3° | 98.5° |
| H131 | C13 | C11 | H111 | 8.7° | 24.8° |
| H151 | C15 | C08 | H081 | 175.1° | 179.4° |
| H151 | C15 | C23 | H232 | 175.4° | 65.0° |
| H151 | C15 | C23 | H231 | 55.4° | 175.0° |
| H151 | C15 | C25 | H252 | 61.3° | 60.0° |
| H151 | C15 | C25 | H251 | 58.7° | 59.9° |
| H151 | C15 | C25 | H253 | 178.7° | 179.9° |
| H202 | C20 | H201 | H203 | 120.0° | 120.0° |
| H211 | C21 | C24 | H241 | 52.5° | 54.9° |
| H212 | C21 | C24 | H241 | 171.7° | 175.5° |
| H221 | C22 | C24 | H241 | 172.4° | 63.9° |
| H221 | C22 | C18 | H181 | 53.1° | 57.1° |
| H221 | C22 | C18 | H182 | 172.3° | 62.9° |
| H222 | C22 | C24 | H241 | 53.2° | 176.3° |
| H222 | C22 | C18 | H181 | 66.1° | 62.7° |
| H222 | C22 | C18 | H182 | 53.1° | 177.2° |
| H241 | C24 | O02 | H021 | 61.0° | 60.0° |
| H262 | C26 | C23 | H232 | 168.1° | 180.0° |
| H262 | C26 | C23 | H231 | 71.9° | 59.9° |
| H262 | C26 | C27 | H271 | 142.7° | 179.9° |
| H262 | C26 | C27 | H272 | 97.3° | 60.1° |
| H261 | C26 | C23 | H232 | 48.1° | 60.0° |
| H261 | C26 | C23 | H231 | 168.1° | 179.9° |
| H261 | C26 | C27 | H271 | 22.7° | 60.0° |
| H261 | C26 | C27 | H272 | 142.7° | 180.0° |
| H281 | C28 | C27 | H271 | 118.1° | 175.0° |
| H281 | C28 | C27 | H272 | 121.9° | 65.0° |
| H281 | C28 | C29 | H292 | 76.8° | 175.0° |
| H281 | C28 | C29 | H291 | 163.3° | 65.0° |
| H281 | C28 | C30 | H303 | 60.2° | 60.0° |
| H281 | C28 | C30 | H301 | 179.8° | 179.9° |
| H281 | C28 | C30 | H302 | 59.8° | 60.0° |
| H011 | O01 | C14 | H141 | 63.4° | 59.9° |
| H031 | O03 | C29 | H292 | 60.0° | 60.0° |
| H031 | O03 | C29 | H291 | 60.0° | 60.1° |
| H051 | C05 | C06 | H061 | 177.6° | 177.0° |
| H051 | C05 | C11 | H112 | 26.5° | 42.8° |
| H051 | C05 | C11 | H111 | 148.0° | 166.0° |
| H061 | C06 | C07 | H071 | 174.8° | 177.3° |
| H061 | C06 | C14 | H141 | 168.2° | 174.9° |
| H071 | C07 | C12 | H122 | 171.3° | 55.3° |
| H071 | C07 | C12 | H121 | 51.9° | 174.1° |
| H092 | C09 | C12 | H122 | 171.4° | 62.5° |
| H092 | C09 | C12 | H121 | 52.1° | 56.3° |
| H091 | C09 | C12 | H122 | 52.0° | 58.6° |
| H091 | C09 | C12 | H121 | 67.3° | 177.4° |
| H141 | C14 | C19 | H191 | 76.5° | 86.5° |
| H163 | C16 | H162 | H161 | 120.0° | 120.0° |
| H252 | C25 | H251 | H253 | 119.9° | 120.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.0° |
