A1JMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.54Å | 1.50Å | |
| C05 | C04 | sing | 1.55Å | 1.48Å | |
| C06 | C05 | sing | 1.54Å | 1.49Å | |
| C07 | C06 | sing | 1.54Å | 1.57Å | |
| C09 | C08 | sing | 1.53Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.63Å | |
| C12 | C11 | sing | 1.53Å | 1.61Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| O14 | C13 | doub | 1.21Å | 1.22Å | |
| C15 | C13 | sing | 1.51Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| O21 | C19 | sing | 1.43Å | 1.40Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C22 | C16 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C23 | C07 | sing | 1.53Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C24 | C02 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C28 | C26 | sing | 1.53Å | 1.57Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C30 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| O31 | C25 | sing | 1.43Å | 1.40Å | |
| C25 | C24 | sing | 1.53Å | 1.59Å | |
| O32 | C24 | sing | 1.43Å | 1.39Å | |
| C03 | C07 | sing | 1.55Å | 1.57Å | |
| C06 | C11 | sing | 1.51Å | 1.56Å | |
| C10 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | C20 | sing | 1.53Å | 1.54Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | 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 | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | 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 | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | 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 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 105.3° | 109.5° |
| C01 | C02 | C24 | 107.7° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C01 | C02 | H021 | 110.0° | 109.4° |
| C03 | C04 | C05 | 110.6° | 106.6° |
| C04 | C03 | C02 | 111.8° | 110.1° |
| C04 | C03 | C07 | 100.6° | 106.3° |
| C04 | C03 | H031 | 108.4° | 110.2° |
| C03 | C04 | H041 | 109.2° | 110.0° |
| C03 | C04 | H042 | 109.2° | 110.0° |
| C04 | C05 | C06 | 104.1° | 103.4° |
| C05 | C04 | H041 | 109.2° | 110.0° |
| C05 | C04 | H042 | 109.2° | 110.1° |
| C04 | C05 | H051 | 110.8° | 110.6° |
| C04 | C05 | H052 | 110.8° | 110.6° |
| C05 | C06 | C07 | 102.3° | 103.6° |
| C05 | C06 | C11 | 105.1° | 112.6° |
| C06 | C05 | H051 | 110.8° | 110.6° |
| C06 | C05 | H052 | 110.8° | 110.8° |
| C05 | C06 | H061 | 110.9° | 109.0° |
| C06 | C07 | C08 | 114.2° | 110.5° |
| C06 | C07 | C23 | 101.4° | 111.9° |
| C06 | C07 | C03 | 108.3° | 103.0° |
| C07 | C06 | C11 | 118.6° | 114.0° |
| C07 | C06 | H061 | 109.7° | 108.3° |
| C08 | C09 | C10 | 110.3° | 108.8° |
| C09 | C08 | C07 | 110.7° | 110.5° |
| C09 | C08 | H082 | 109.1° | 109.3° |
| C09 | C08 | H081 | 109.2° | 109.1° |
| C08 | C09 | H091 | 109.2° | 109.6° |
| C08 | C09 | H092 | 109.3° | 109.6° |
| C09 | C10 | C11 | 112.5° | 108.6° |
| C09 | C10 | C16 | 112.9° | 108.8° |
| C10 | C09 | H091 | 109.3° | 109.6° |
| C10 | C09 | H092 | 109.2° | 109.7° |
| C09 | C10 | H101 | 107.9° | 109.7° |
| C10 | C11 | C12 | 110.5° | 109.9° |
| C10 | C11 | C06 | 112.2° | 111.9° |
| C11 | C10 | C16 | 108.7° | 109.6° |
| C11 | C10 | H101 | 106.7° | 110.4° |
| C10 | C11 | H111 | 105.9° | 108.7° |
| C11 | C12 | C13 | 107.4° | 109.1° |
| C12 | C11 | C06 | 114.8° | 109.7° |
| C12 | C11 | H111 | 106.1° | 107.8° |
| C11 | C12 | H122 | 110.0° | 109.5° |
| C11 | C12 | H121 | 110.0° | 109.5° |
| C12 | C13 | O14 | 118.6° | 121.2° |
| C12 | C13 | C15 | 115.8° | 117.7° |
| C13 | C12 | H122 | 110.0° | 109.5° |
| C13 | C12 | H121 | 110.0° | 109.6° |
| O14 | C13 | C15 | 125.5° | 121.2° |
| C13 | C15 | C16 | 116.4° | 108.0° |
| C13 | C15 | C20 | 116.6° | 110.4° |
| C13 | C15 | H151 | 104.4° | 109.6° |
| C15 | C16 | C17 | 112.1° | 109.1° |
| C15 | C16 | C22 | 111.9° | 109.3° |
| C15 | C16 | C10 | 108.0° | 109.4° |
| C16 | C15 | C20 | 109.2° | 109.1° |
| C16 | C15 | H151 | 104.2° | 110.1° |
| C17 | C18 | C19 | 112.5° | 109.8° |
| C18 | C17 | C16 | 113.7° | 109.0° |
| C18 | C17 | H172 | 108.4° | 109.5° |
| C18 | C17 | H171 | 108.4° | 109.6° |
| C17 | C18 | H182 | 108.7° | 109.4° |
| C17 | C18 | H181 | 108.7° | 109.4° |
| C18 | C19 | C20 | 110.9° | 109.9° |
| C18 | C19 | O21 | 108.1° | 109.4° |
| C19 | C18 | H182 | 108.7° | 109.4° |
| C19 | C18 | H181 | 108.7° | 109.4° |
| C18 | C19 | H191 | 108.9° | 109.3° |
| C20 | C19 | O21 | 109.7° | 109.3° |
| C19 | C20 | C15 | 113.7° | 109.0° |
| C20 | C19 | H191 | 108.5° | 109.4° |
| C19 | C20 | H201 | 108.4° | 109.6° |
| C19 | C20 | H202 | 108.4° | 109.6° |
| O21 | C19 | H191 | 110.8° | 109.4° |
| C19 | O21 | H211 | 109.5° | 114.0° |
| C17 | C16 | C22 | 108.3° | 108.9° |
| C17 | C16 | C10 | 110.1° | 110.8° |
| C16 | C17 | H172 | 108.4° | 109.5° |
| C16 | C17 | H171 | 108.4° | 109.6° |
| C22 | C16 | C10 | 106.3° | 109.3° |
| C16 | C22 | H223 | 109.5° | 109.4° |
| C16 | C22 | H221 | 109.5° | 109.5° |
| C16 | C22 | H222 | 109.5° | 109.5° |
| C08 | C07 | C23 | 123.6° | 112.2° |
| C08 | C07 | C03 | 98.0° | 106.7° |
| C07 | C08 | H082 | 109.2° | 109.3° |
| C07 | C08 | H081 | 109.2° | 109.3° |
| C23 | C07 | C03 | 110.9° | 112.0° |
| C07 | C23 | H233 | 109.5° | 109.5° |
| C07 | C23 | H231 | 109.5° | 109.5° |
| C07 | C23 | H232 | 109.5° | 109.5° |
| C03 | C02 | C24 | 115.3° | 109.5° |
| C02 | C03 | C07 | 120.3° | 110.1° |
| C03 | C02 | H021 | 109.2° | 109.5° |
| C02 | C03 | H031 | 107.7° | 110.1° |
| C02 | C24 | C25 | 112.8° | 109.5° |
| C02 | C24 | O32 | 107.9° | 109.4° |
| C24 | C02 | H021 | 109.2° | 109.5° |
| C02 | C24 | H241 | 106.4° | 109.5° |
| C27 | C26 | C28 | 111.5° | 109.5° |
| C27 | C26 | C25 | 109.0° | 109.5° |
| C27 | C26 | H261 | 108.1° | 109.4° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.5° |
| C26 | C27 | H271 | 109.4° | 109.4° |
| C26 | C28 | C29 | 113.1° | 109.5° |
| C26 | C28 | C30 | 112.7° | 109.5° |
| C28 | C26 | C25 | 112.8° | 109.5° |
| C28 | C26 | H261 | 107.6° | 109.5° |
| C26 | C28 | H281 | 106.5° | 109.5° |
| C29 | C28 | C30 | 110.5° | 109.4° |
| C29 | C28 | H281 | 106.8° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.4° |
| C30 | C28 | H281 | 106.8° | 109.4° |
| C28 | C30 | H303 | 109.5° | 109.5° |
| C28 | C30 | H302 | 109.5° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.5° |
| C26 | C25 | O31 | 110.4° | 109.4° |
| C26 | C25 | C24 | 113.1° | 109.5° |
| C26 | C25 | H251 | 108.5° | 109.4° |
| C25 | C26 | H261 | 107.5° | 109.5° |
| O31 | C25 | C24 | 105.4° | 109.5° |
| O31 | C25 | H251 | 111.0° | 109.5° |
| C25 | O31 | H311 | 109.5° | 114.0° |
| C25 | C24 | O32 | 114.8° | 109.5° |
| C25 | C24 | H241 | 106.1° | 109.5° |
| C24 | C25 | H251 | 108.4° | 109.5° |
| O32 | C24 | H241 | 108.4° | 109.4° |
| C24 | O32 | H321 | 109.5° | 114.0° |
| C07 | C03 | H031 | 107.6° | 110.1° |
| C11 | C06 | H061 | 109.9° | 109.1° |
| C06 | C11 | H111 | 106.7° | 108.7° |
| C16 | C10 | H101 | 107.7° | 109.7° |
| C20 | C15 | H151 | 104.4° | 109.6° |
| C15 | C20 | H201 | 108.4° | 109.6° |
| C15 | C20 | H202 | 108.4° | 109.6° |
| H012 | C01 | H013 | 109.5° | 109.6° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 110.0° |
| H051 | C05 | H052 | 109.4° | 110.6° |
| H082 | C08 | H081 | 109.5° | 109.3° |
| H091 | C09 | H092 | 109.5° | 109.6° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.6° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.4° | 109.5° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.4° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.4° | 109.4° |
| H292 | C29 | H291 | 109.4° | 109.5° |
| H303 | C30 | H302 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 165.6° | 172.9° |
| C01 | C02 | C03 | C24 | 118.6° | 120.0° |
| C01 | C02 | C03 | H021 | 118.1° | 120.0° |
| C01 | C02 | C24 | H021 | 119.5° | 119.9° |
| C01 | C02 | C24 | C25 | 51.4° | 63.8° |
| C01 | C02 | C24 | O32 | 76.5° | 56.3° |
| C01 | C02 | C03 | C07 | 76.9° | 70.3° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H013 | H011 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 46.6° | 51.2° |
| C01 | C02 | C24 | H241 | 167.3° | 176.2° |
| C03 | C04 | C05 | H041 | 120.2° | 119.3° |
| C03 | C04 | C05 | H042 | 120.2° | 119.3° |
| C03 | C04 | C05 | C06 | 37.7° | 23.0° |
| C04 | C03 | C07 | C06 | 2.2° | 25.5° |
| C04 | C03 | C07 | C08 | 116.6° | 90.9° |
| C04 | C03 | C07 | C23 | 112.7° | 146.0° |
| C04 | C03 | C02 | C07 | 117.5° | 116.9° |
| C04 | C03 | C02 | H031 | 118.9° | 121.6° |
| C04 | C03 | C02 | C24 | 47.0° | 52.9° |
| C04 | C03 | C07 | H031 | 113.3° | 119.3° |
| C04 | C03 | C02 | H021 | 76.3° | 67.1° |
| C03 | C04 | H041 | H042 | 119.5° | 121.4° |
| C03 | C04 | C05 | H051 | 81.5° | 95.4° |
| C03 | C04 | C05 | H052 | 156.9° | 141.7° |
| C04 | C05 | C06 | H051 | 119.2° | 118.5° |
| C04 | C05 | C06 | H052 | 119.2° | 118.5° |
| C04 | C05 | C06 | C07 | 35.8° | 39.2° |
| C05 | C04 | C03 | C02 | 149.9° | 117.7° |
| C05 | C04 | C03 | C07 | 21.0° | 1.5° |
| C04 | C05 | C06 | C11 | 160.2° | 162.9° |
| C05 | C04 | C03 | H031 | 91.6° | 120.7° |
| C05 | C04 | H041 | H042 | 119.5° | 121.4° |
| C04 | C05 | H051 | H052 | 122.5° | 122.9° |
| C04 | C05 | C06 | H061 | 81.1° | 75.9° |
| C05 | C06 | C07 | C11 | 114.9° | 122.7° |
| C05 | C06 | C07 | H061 | 117.7° | 115.7° |
| C05 | C06 | C11 | C10 | 86.9° | 66.7° |
| C05 | C06 | C11 | C12 | 40.2° | 55.6° |
| C05 | C06 | C07 | C08 | 84.3° | 73.6° |
| C05 | C06 | C07 | C23 | 140.5° | 160.6° |
| C05 | C06 | C07 | C03 | 23.8° | 40.1° |
| C05 | C06 | C11 | H061 | 119.3° | 121.1° |
| C06 | C05 | C04 | H041 | 157.9° | 142.3° |
| C06 | C05 | C04 | H042 | 82.5° | 96.3° |
| C06 | C05 | H051 | H052 | 122.5° | 123.1° |
| C05 | C06 | C11 | H111 | 157.5° | 173.2° |
| C06 | C07 | C08 | C09 | 49.5° | 54.8° |
| C07 | C06 | C11 | C10 | 26.5° | 51.0° |
| C07 | C06 | C11 | C12 | 153.7° | 173.3° |
| C06 | C07 | C08 | C23 | 124.0° | 125.7° |
| C06 | C07 | C08 | C03 | 114.2° | 111.3° |
| C06 | C07 | C23 | C03 | 114.8° | 115.2° |
| C06 | C07 | C03 | C02 | 120.9° | 93.7° |
| C07 | C06 | C11 | H061 | 127.2° | 121.2° |
| C06 | C07 | C03 | H031 | 115.5° | 144.8° |
| C07 | C06 | C05 | H051 | 83.4° | 79.3° |
| C07 | C06 | C05 | H052 | 155.0° | 157.7° |
| C06 | C07 | C08 | H082 | 70.7° | 175.1° |
| C06 | C07 | C08 | H081 | 169.6° | 65.3° |
| C07 | C06 | C11 | H111 | 89.0° | 69.1° |
| C06 | C07 | C23 | H233 | 180.0° | 172.6° |
| C06 | C07 | C23 | H231 | 60.0° | 67.3° |
| C06 | C07 | C23 | H232 | 60.0° | 52.6° |
| C08 | C09 | C10 | H091 | 120.1° | 119.8° |
| C08 | C09 | C10 | H092 | 120.2° | 119.8° |
| C08 | C09 | C10 | C11 | 62.6° | 62.9° |
| C09 | C08 | C07 | H082 | 120.2° | 120.3° |
| C09 | C08 | C07 | H081 | 120.2° | 120.1° |
| C09 | C08 | C07 | C23 | 74.5° | 70.9° |
| C09 | C08 | C07 | C03 | 163.7° | 166.1° |
| C08 | C09 | C10 | C16 | 173.8° | 177.8° |
| C09 | C08 | H082 | H081 | 119.4° | 119.3° |
| C08 | C09 | H091 | H092 | 119.6° | 120.3° |
| C08 | C09 | C10 | H101 | 54.9° | 57.8° |
| C09 | C10 | C11 | C16 | 125.9° | 118.7° |
| C09 | C10 | C11 | H101 | 118.2° | 120.3° |
| C09 | C10 | C11 | C12 | 170.5° | 179.2° |
| C09 | C10 | C16 | C15 | 178.0° | 177.3° |
| C09 | C10 | C16 | C17 | 55.3° | 57.0° |
| C09 | C10 | C16 | C22 | 61.8° | 63.0° |
| C10 | C09 | C08 | C07 | 65.9° | 62.9° |
| C09 | C10 | C11 | C06 | 41.0° | 57.0° |
| C09 | C10 | C16 | H101 | 119.1° | 120.0° |
| C10 | C09 | C08 | H082 | 54.3° | 176.8° |
| C10 | C09 | C08 | H081 | 173.9° | 57.4° |
| C10 | C09 | H091 | H092 | 119.6° | 120.4° |
| C09 | C10 | C11 | H111 | 75.0° | 63.1° |
| C10 | C11 | C12 | C06 | 128.1° | 123.5° |
| C10 | C11 | C12 | H111 | 114.4° | 118.3° |
| C10 | C11 | C12 | C13 | 58.6° | 53.3° |
| C11 | C10 | C16 | C15 | 56.4° | 64.0° |
| C11 | C10 | C16 | C17 | 179.0° | 175.7° |
| C11 | C10 | C16 | C22 | 63.9° | 55.7° |
| C10 | C11 | C06 | H111 | 115.6° | 120.1° |
| C11 | C10 | C16 | H101 | 115.3° | 121.4° |
| C10 | C11 | C06 | H061 | 153.7° | 172.2° |
| C11 | C10 | C09 | H091 | 57.5° | 56.9° |
| C11 | C10 | C09 | H092 | 177.3° | 177.3° |
| C10 | C11 | C12 | H122 | 61.1° | 66.5° |
| C10 | C11 | C12 | H121 | 178.3° | 173.3° |
| C11 | C12 | C13 | H122 | 119.7° | 119.9° |
| C11 | C12 | C13 | H121 | 119.7° | 120.0° |
| C11 | C12 | C13 | O14 | 128.7° | 128.7° |
| C11 | C12 | C13 | C15 | 51.5° | 51.2° |
| C12 | C11 | C06 | H111 | 117.3° | 117.6° |
| C12 | C11 | C10 | C16 | 63.6° | 62.1° |
| C12 | C11 | C06 | H061 | 79.1° | 65.5° |
| C12 | C11 | C10 | H101 | 52.3° | 58.9° |
| C11 | C12 | H122 | H121 | 120.9° | 120.1° |
| C12 | C13 | O14 | C15 | 179.8° | 179.9° |
| C12 | C13 | C15 | C16 | 50.3° | 52.7° |
| C13 | C12 | C11 | C06 | 173.3° | 176.8° |
| C12 | C13 | C15 | C20 | 178.4° | 171.9° |
| C13 | C12 | C11 | H111 | 55.7° | 65.0° |
| C13 | C12 | H122 | H121 | 121.0° | 120.3° |
| C12 | C13 | C15 | H151 | 63.9° | 67.3° |
| O14 | C13 | C15 | C16 | 129.9° | 127.2° |
| O14 | C13 | C15 | C20 | 1.3° | 8.0° |
| O14 | C13 | C12 | H122 | 111.6° | 111.4° |
| O14 | C13 | C12 | H121 | 9.0° | 8.8° |
| O14 | C13 | C15 | H151 | 115.9° | 112.8° |
| C13 | C15 | C16 | C20 | 134.6° | 120.0° |
| C13 | C15 | C16 | H151 | 114.3° | 119.6° |
| C13 | C15 | C20 | C19 | 169.4° | 179.5° |
| C13 | C15 | C16 | C17 | 172.1° | 178.0° |
| C13 | C15 | C16 | C22 | 66.0° | 63.1° |
| C13 | C15 | C16 | C10 | 50.7° | 56.6° |
| C13 | C15 | C20 | H151 | 114.5° | 120.8° |
| C15 | C13 | C12 | H122 | 68.2° | 68.7° |
| C15 | C13 | C12 | H121 | 171.2° | 171.2° |
| C13 | C15 | C20 | H201 | 70.0° | 60.6° |
| C13 | C15 | C20 | H202 | 48.8° | 59.6° |
| C15 | C16 | C17 | C18 | 52.0° | 61.0° |
| C16 | C15 | C20 | C19 | 56.1° | 60.9° |
| C15 | C16 | C17 | C22 | 124.0° | 119.2° |
| C15 | C16 | C17 | C10 | 120.2° | 120.5° |
| C15 | C16 | C22 | C10 | 117.7° | 119.8° |
| C16 | C15 | C20 | H151 | 111.0° | 120.7° |
| C15 | C16 | C10 | H101 | 58.9° | 57.3° |
| C15 | C16 | C17 | H172 | 68.6° | 179.2° |
| C15 | C16 | C17 | H171 | 172.6° | 59.0° |
| C16 | C15 | C20 | H201 | 64.5° | 179.1° |
| C16 | C15 | C20 | H202 | 176.7° | 58.9° |
| C15 | C16 | C22 | H223 | 180.0° | 179.8° |
| C15 | C16 | C22 | H221 | 60.0° | 60.2° |
| C15 | C16 | C22 | H222 | 60.0° | 59.8° |
| C17 | C18 | C19 | H182 | 120.5° | 120.1° |
| C17 | C18 | C19 | H181 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 51.0° | 59.1° |
| C17 | C18 | C19 | O21 | 69.4° | 61.0° |
| C18 | C17 | C16 | H172 | 120.6° | 119.8° |
| C18 | C17 | C16 | H171 | 120.6° | 120.0° |
| C18 | C17 | C16 | C22 | 71.9° | 58.2° |
| C18 | C17 | C16 | C10 | 172.2° | 178.5° |
| C18 | C17 | H172 | H171 | 118.1° | 120.3° |
| C17 | C18 | H182 | H181 | 118.6° | 119.9° |
| C17 | C18 | C19 | H191 | 170.2° | 179.2° |
| C18 | C19 | C20 | O21 | 119.4° | 120.1° |
| C18 | C19 | C20 | H191 | 119.5° | 120.1° |
| C18 | C19 | O21 | H191 | 119.2° | 119.8° |
| C19 | C18 | C17 | C16 | 50.6° | 59.6° |
| C18 | C19 | C20 | C15 | 55.4° | 59.6° |
| C19 | C18 | C17 | H172 | 70.0° | 179.4° |
| C19 | C18 | C17 | H171 | 171.2° | 60.4° |
| C19 | C18 | H182 | H181 | 118.6° | 119.8° |
| C18 | C19 | C20 | H201 | 65.2° | 179.5° |
| C18 | C19 | C20 | H202 | 176.0° | 60.3° |
| C18 | C19 | O21 | H211 | 180.0° | 60.0° |
| C20 | C19 | O21 | H191 | 119.7° | 119.8° |
| C19 | C20 | C15 | H201 | 120.6° | 119.9° |
| C19 | C20 | C15 | H202 | 120.6° | 119.9° |
| C19 | C20 | C15 | H151 | 54.9° | 59.7° |
| C20 | C19 | C18 | H182 | 69.5° | 61.0° |
| C20 | C19 | C18 | H181 | 171.4° | 179.1° |
| C19 | C20 | H201 | H202 | 118.1° | 120.2° |
| C20 | C19 | O21 | H211 | 58.9° | 179.6° |
| O21 | C19 | C20 | C15 | 64.0° | 60.5° |
| O21 | C19 | C18 | H182 | 170.2° | 178.9° |
| O21 | C19 | C18 | H181 | 51.1° | 59.1° |
| O21 | C19 | C20 | H201 | 175.4° | 59.4° |
| O21 | C19 | C20 | H202 | 56.6° | 179.6° |
| C17 | C16 | C22 | C10 | 118.3° | 121.2° |
| C17 | C16 | C15 | C20 | 53.3° | 62.0° |
| C17 | C16 | C10 | H101 | 63.7° | 62.9° |
| C17 | C16 | C15 | H151 | 57.8° | 58.3° |
| C16 | C17 | H172 | H171 | 118.0° | 120.2° |
| C16 | C17 | C18 | H182 | 69.8° | 60.5° |
| C16 | C17 | C18 | H181 | 171.1° | 179.6° |
| C17 | C16 | C22 | H223 | 56.0° | 61.1° |
| C17 | C16 | C22 | H221 | 64.1° | 58.8° |
| C17 | C16 | C22 | H222 | 175.9° | 178.9° |
| C22 | C16 | C15 | C20 | 68.6° | 56.9° |
| C22 | C16 | C10 | H101 | 179.2° | 177.0° |
| C22 | C16 | C15 | H151 | 179.7° | 177.3° |
| C22 | C16 | C17 | H172 | 167.4° | 61.6° |
| C22 | C16 | C17 | H171 | 48.7° | 178.2° |
| C16 | C22 | H223 | H221 | 120.0° | 119.9° |
| C16 | C22 | H223 | H222 | 120.0° | 120.0° |
| C16 | C22 | H221 | H222 | 120.0° | 120.0° |
| C08 | C07 | C23 | C03 | 115.7° | 120.0° |
| C08 | C07 | C03 | C02 | 120.3° | 149.9° |
| C08 | C07 | C06 | C11 | 30.7° | 49.1° |
| C08 | C07 | C03 | H031 | 3.3° | 28.4° |
| C08 | C07 | C06 | H061 | 158.0° | 170.8° |
| C07 | C08 | H082 | H081 | 119.5° | 119.6° |
| C07 | C08 | C09 | H091 | 54.2° | 56.9° |
| C07 | C08 | C09 | H092 | 173.9° | 177.2° |
| C08 | C07 | C23 | H233 | 50.5° | 62.5° |
| C08 | C07 | C23 | H231 | 69.5° | 57.6° |
| C08 | C07 | C23 | H232 | 170.5° | 177.5° |
| C23 | C07 | C03 | C02 | 10.4° | 26.8° |
| C23 | C07 | C06 | C11 | 104.5° | 76.7° |
| C23 | C07 | C03 | H031 | 134.0° | 94.7° |
| C23 | C07 | C06 | H061 | 22.8° | 45.0° |
| C23 | C07 | C08 | H082 | 165.3° | 49.4° |
| C23 | C07 | C08 | H081 | 45.7° | 169.1° |
| C07 | C23 | H233 | H231 | 120.0° | 120.1° |
| C07 | C23 | H233 | H232 | 120.0° | 120.0° |
| C07 | C23 | H231 | H232 | 120.0° | 120.0° |
| C03 | C02 | C24 | H021 | 123.4° | 120.0° |
| C03 | C02 | C24 | C25 | 168.6° | 176.2° |
| C03 | C02 | C24 | O32 | 40.7° | 63.8° |
| C02 | C03 | C07 | H031 | 123.6° | 121.5° |
| C03 | C02 | C01 | H012 | 180.0° | 91.6° |
| C03 | C02 | C01 | H013 | 60.0° | 148.3° |
| C03 | C02 | C01 | H011 | 60.0° | 28.3° |
| C02 | C03 | C04 | H041 | 90.0° | 123.1° |
| C02 | C03 | C04 | H042 | 29.7° | 1.7° |
| C03 | C02 | C24 | H241 | 75.5° | 56.1° |
| C02 | C24 | C25 | C26 | 49.9° | 62.8° |
| C02 | C24 | C25 | O31 | 170.6° | 177.2° |
| C02 | C24 | C25 | O32 | 124.2° | 120.0° |
| C02 | C24 | C25 | H241 | 116.1° | 120.0° |
| C02 | C24 | O32 | H241 | 114.8° | 120.0° |
| C24 | C02 | C03 | C07 | 164.5° | 169.7° |
| C24 | C02 | C01 | H012 | 56.5° | 148.3° |
| C24 | C02 | C01 | H013 | 63.5° | 28.3° |
| C24 | C02 | C01 | H011 | 176.5° | 91.7° |
| C24 | C02 | C03 | H031 | 71.9° | 68.8° |
| C02 | C24 | C25 | H251 | 70.5° | 57.2° |
| C02 | C24 | O32 | H321 | 180.0° | 60.0° |
| C27 | C26 | C28 | C25 | 123.1° | 120.0° |
| C27 | C26 | C28 | H261 | 118.4° | 119.9° |
| C27 | C26 | C28 | C29 | 165.2° | 180.0° |
| C27 | C26 | C28 | C30 | 68.7° | 60.0° |
| C27 | C26 | C25 | H261 | 117.0° | 120.0° |
| C27 | C26 | C25 | O31 | 66.1° | 57.5° |
| C27 | C26 | C25 | C24 | 51.7° | 62.5° |
| C27 | C26 | C25 | H251 | 172.1° | 177.5° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C26 | C27 | H272 | H271 | 120.0° | 120.0° |
| C26 | C27 | H273 | H271 | 120.0° | 120.0° |
| C27 | C26 | C28 | H281 | 48.1° | 60.0° |
| C26 | C28 | C29 | C30 | 127.3° | 120.0° |
| C26 | C28 | C29 | H281 | 116.8° | 120.0° |
| C26 | C28 | C30 | H281 | 116.6° | 120.0° |
| C28 | C26 | C25 | H261 | 118.6° | 120.0° |
| C28 | C26 | C25 | O31 | 58.4° | 62.5° |
| C28 | C26 | C25 | C24 | 176.2° | 177.4° |
| C28 | C26 | C25 | H251 | 63.5° | 57.5° |
| C28 | C26 | C27 | H272 | 180.0° | 65.1° |
| C28 | C26 | C27 | H273 | 60.0° | 174.9° |
| C28 | C26 | C27 | H271 | 60.0° | 54.9° |
| C26 | C28 | C29 | H293 | 180.0° | 60.0° |
| C26 | C28 | C29 | H292 | 60.0° | 180.0° |
| C26 | C28 | C29 | H291 | 60.0° | 59.9° |
| C26 | C28 | C30 | H303 | 180.0° | 60.0° |
| C26 | C28 | C30 | H302 | 60.0° | 179.9° |
| C26 | C28 | C30 | H301 | 60.0° | 60.0° |
| C29 | C28 | C30 | H281 | 115.8° | 120.0° |
| C29 | C28 | C26 | C25 | 42.0° | 60.0° |
| C29 | C28 | C26 | H261 | 76.5° | 60.0° |
| C28 | C29 | H293 | H292 | 120.0° | 120.0° |
| C28 | C29 | H293 | H291 | 120.0° | 119.9° |
| C28 | C29 | H292 | H291 | 120.0° | 120.0° |
| C29 | C28 | C30 | H303 | 52.4° | 180.0° |
| C29 | C28 | C30 | H302 | 67.6° | 60.0° |
| C29 | C28 | C30 | H301 | 172.5° | 60.0° |
| C30 | C28 | C26 | C25 | 168.2° | 180.0° |
| C30 | C28 | C26 | H261 | 49.7° | 60.0° |
| C30 | C28 | C29 | H293 | 52.7° | 60.1° |
| C30 | C28 | C29 | H292 | 172.7° | 60.0° |
| C30 | C28 | C29 | H291 | 67.3° | 180.0° |
| C28 | C30 | H303 | H302 | 120.0° | 120.0° |
| C28 | C30 | H303 | H301 | 120.0° | 120.0° |
| C28 | C30 | H302 | H301 | 120.0° | 120.1° |
| C26 | C25 | O31 | C24 | 122.4° | 120.0° |
| C26 | C25 | O31 | H251 | 120.4° | 120.0° |
| C26 | C25 | C24 | H251 | 120.4° | 119.9° |
| C26 | C25 | C24 | O32 | 174.1° | 177.2° |
| C26 | C25 | C24 | H241 | 66.2° | 57.3° |
| C25 | C26 | C27 | H272 | 54.7° | 174.8° |
| C25 | C26 | C27 | H273 | 65.2° | 54.8° |
| C25 | C26 | C27 | H271 | 174.8° | 65.2° |
| C25 | C26 | C28 | H281 | 75.0° | 60.0° |
| C26 | C25 | O31 | H311 | 180.0° | 60.0° |
| O31 | C25 | C24 | H251 | 118.9° | 120.1° |
| O31 | C25 | C24 | O32 | 65.2° | 57.2° |
| O31 | C25 | C24 | H241 | 54.5° | 62.7° |
| O31 | C25 | C26 | H261 | 176.9° | 177.5° |
| C25 | C24 | O32 | H241 | 118.4° | 120.0° |
| C25 | C24 | C02 | H021 | 68.1° | 56.2° |
| C24 | C25 | C26 | H261 | 65.3° | 57.4° |
| C24 | C25 | O31 | H311 | 57.6° | 60.0° |
| C25 | C24 | O32 | H321 | 53.2° | 60.0° |
| O32 | C24 | C02 | H021 | 164.0° | 176.2° |
| O32 | C24 | C25 | H251 | 53.7° | 62.8° |
| C03 | C07 | C06 | C11 | 138.7° | 162.8° |
| C07 | C03 | C02 | H021 | 41.2° | 49.7° |
| C07 | C03 | C04 | H041 | 141.2° | 117.7° |
| C07 | C03 | C04 | H042 | 99.1° | 120.9° |
| C03 | C07 | C06 | H061 | 94.0° | 75.6° |
| C03 | C07 | C08 | H082 | 43.6° | 73.6° |
| C03 | C07 | C08 | H081 | 76.1° | 46.0° |
| C03 | C07 | C23 | H233 | 65.2° | 57.5° |
| C03 | C07 | C23 | H231 | 174.8° | 177.5° |
| C03 | C07 | C23 | H232 | 54.8° | 62.5° |
| C06 | C11 | C10 | C16 | 166.9° | 175.7° |
| C11 | C06 | C05 | H051 | 41.1° | 44.4° |
| C11 | C06 | C05 | H052 | 80.6° | 78.6° |
| C06 | C11 | C10 | H101 | 77.2° | 63.3° |
| C06 | C11 | C12 | H122 | 67.0° | 57.0° |
| C06 | C11 | C12 | H121 | 53.7° | 63.2° |
| C10 | C16 | C15 | C20 | 174.8° | 176.6° |
| C16 | C10 | C09 | H091 | 66.1° | 62.4° |
| C16 | C10 | C09 | H092 | 53.7° | 58.0° |
| C16 | C10 | C11 | H111 | 50.9° | 55.7° |
| C10 | C16 | C15 | H151 | 63.7° | 63.0° |
| C10 | C16 | C17 | H172 | 51.6° | 58.7° |
| C10 | C16 | C17 | H171 | 67.2° | 61.5° |
| C10 | C16 | C22 | H223 | 62.3° | 60.1° |
| C10 | C16 | C22 | H221 | 177.6° | 180.0° |
| C10 | C16 | C22 | H222 | 57.6° | 59.9° |
| C15 | C20 | C19 | H191 | 174.9° | 179.6° |
| C15 | C20 | H201 | H202 | 118.1° | 120.2° |
| H012 | C01 | H013 | H011 | 120.0° | 120.1° |
| H012 | C01 | C02 | H021 | 62.4° | 28.4° |
| H013 | C01 | C02 | H021 | 177.5° | 91.7° |
| H011 | C01 | C02 | H021 | 57.6° | 148.3° |
| H021 | C02 | C03 | H031 | 164.7° | 171.2° |
| H021 | C02 | C24 | H241 | 47.9° | 63.9° |
| H031 | C03 | C04 | H041 | 28.5° | 1.5° |
| H031 | C03 | C04 | H042 | 148.2° | 119.9° |
| H041 | C04 | C05 | H051 | 38.7° | 23.9° |
| H041 | C04 | C05 | H052 | 83.0° | 99.1° |
| H042 | C04 | C05 | H051 | 158.4° | 145.2° |
| H042 | C04 | C05 | H052 | 36.7° | 22.3° |
| H051 | C05 | C06 | H061 | 159.7° | 165.6° |
| H052 | C05 | C06 | H061 | 38.1° | 42.6° |
| H061 | C06 | C11 | H111 | 38.2° | 52.1° |
| H082 | C08 | C09 | H091 | 174.4° | 63.4° |
| H082 | C08 | C09 | H092 | 65.9° | 56.9° |
| H081 | C08 | C09 | H091 | 66.0° | 177.1° |
| H081 | C08 | C09 | H092 | 53.8° | 62.6° |
| H091 | C09 | C10 | H101 | 175.0° | 177.6° |
| H092 | C09 | C10 | H101 | 65.3° | 62.0° |
| H101 | C10 | C11 | H111 | 166.8° | 176.6° |
| H111 | C11 | C12 | H122 | 175.4° | 175.1° |
| H111 | C11 | C12 | H121 | 63.9° | 55.0° |
| H151 | C15 | C20 | H201 | 175.5° | 60.2° |
| H151 | C15 | C20 | H202 | 65.8° | 179.6° |
| H172 | C17 | C18 | H182 | 169.5° | 59.3° |
| H172 | C17 | C18 | H181 | 50.4° | 60.6° |
| H171 | C17 | C18 | H182 | 50.8° | 179.5° |
| H171 | C17 | C18 | H181 | 68.3° | 59.6° |
| H182 | C18 | C19 | H191 | 49.8° | 59.1° |
| H181 | C18 | C19 | H191 | 69.3° | 60.8° |
| H191 | C19 | C20 | H201 | 54.3° | 60.5° |
| H191 | C19 | C20 | H202 | 64.5° | 59.8° |
| H191 | C19 | O21 | H211 | 60.8° | 59.8° |
| H223 | C22 | H221 | H222 | 119.9° | 120.0° |
| H233 | C23 | H231 | H232 | 120.0° | 119.9° |
| H241 | C24 | C25 | H251 | 173.4° | 177.2° |
| H241 | C24 | O32 | H321 | 65.2° | 180.0° |
| H251 | C25 | C26 | H261 | 55.1° | 62.5° |
| H251 | C25 | O31 | H311 | 59.6° | 180.0° |
| H261 | C26 | C27 | H272 | 61.9° | 54.8° |
| H261 | C26 | C27 | H273 | 178.1° | 65.2° |
| H261 | C26 | C27 | H271 | 58.1° | 174.8° |
| H261 | C26 | C28 | H281 | 166.5° | 180.0° |
| H272 | C27 | H273 | H271 | 120.0° | 120.0° |
| H281 | C28 | C29 | H293 | 63.2° | 180.0° |
| H281 | C28 | C29 | H292 | 56.8° | 59.9° |
| H281 | C28 | C29 | H291 | 176.8° | 60.1° |
| H281 | C28 | C30 | H303 | 63.4° | 60.0° |
| H281 | C28 | C30 | H302 | 176.6° | 59.9° |
| H281 | C28 | C30 | H301 | 56.6° | 180.0° |
| H293 | C29 | H292 | H291 | 119.9° | 120.0° |
| H303 | C30 | H302 | H301 | 120.0° | 120.0° |
