A1JME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.55Å | 1.56Å | |
| C05 | C04 | sing | 1.55Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C07 | C06 | sing | 1.55Å | 1.55Å | |
| C09 | C08 | sing | 1.54Å | 1.58Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.54Å | 1.58Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| O14 | C13 | doub | 1.21Å | 1.25Å | |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.58Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| O21 | C19 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | sing | 1.53Å | 1.57Å | |
| O22 | C18 | sing | 1.43Å | 1.41Å | |
| C17 | C16 | sing | 1.53Å | 1.58Å | |
| C23 | C16 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.52Å | 1.56Å | |
| C24 | C07 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C25 | C02 | sing | 1.53Å | 1.57Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C29 | C27 | sing | 1.53Å | 1.56Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C31 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.58Å | |
| O32 | C26 | sing | 1.43Å | 1.38Å | |
| C26 | C25 | sing | 1.53Å | 1.58Å | |
| O33 | C25 | sing | 1.43Å | 1.39Å | |
| C03 | C07 | sing | 1.53Å | 1.60Å | |
| C06 | C11 | sing | 1.52Å | 1.57Å | |
| C10 | C16 | sing | 1.53Å | 1.65Å | |
| C15 | C20 | sing | 1.53Å | 1.56Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | 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 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.0° | 109.5° |
| C01 | C02 | C25 | 112.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.0° | 109.5° |
| C03 | C04 | C05 | 106.7° | 106.4° |
| C04 | C03 | C02 | 111.5° | 110.3° |
| C04 | C03 | C07 | 104.3° | 105.4° |
| C04 | C03 | H031 | 108.5° | 110.4° |
| C03 | C04 | H041 | 110.2° | 110.1° |
| C03 | C04 | H042 | 110.2° | 110.1° |
| C04 | C05 | C06 | 105.3° | 102.9° |
| C05 | C04 | H041 | 110.2° | 110.0° |
| C05 | C04 | H042 | 110.2° | 110.1° |
| C04 | C05 | H051 | 110.5° | 110.8° |
| C04 | C05 | H052 | 110.5° | 110.8° |
| C05 | C06 | C07 | 103.7° | 101.7° |
| C05 | C06 | C11 | 122.2° | 115.8° |
| C06 | C05 | H051 | 110.5° | 110.7° |
| C06 | C05 | H052 | 110.5° | 110.9° |
| C05 | C06 | H061 | 104.6° | 110.3° |
| C06 | C07 | C08 | 108.0° | 107.2° |
| C06 | C07 | C24 | 110.3° | 109.9° |
| C06 | C07 | C03 | 100.9° | 103.2° |
| C07 | C06 | C11 | 115.3° | 107.2° |
| C07 | C06 | H061 | 104.8° | 111.1° |
| C08 | C09 | C10 | 114.6° | 111.7° |
| C09 | C08 | C07 | 113.4° | 107.2° |
| C09 | C08 | H081 | 108.5° | 109.9° |
| C09 | C08 | H082 | 108.5° | 110.0° |
| C08 | C09 | H092 | 108.2° | 109.0° |
| C08 | C09 | H091 | 108.2° | 109.0° |
| C09 | C10 | C11 | 105.4° | 111.6° |
| C09 | C10 | C16 | 122.8° | 109.5° |
| C10 | C09 | H092 | 108.1° | 109.1° |
| C10 | C09 | H091 | 108.2° | 109.0° |
| C09 | C10 | H101 | 104.9° | 109.0° |
| C10 | C11 | C12 | 112.1° | 109.6° |
| C10 | C11 | C06 | 112.0° | 107.3° |
| C11 | C10 | C16 | 113.5° | 109.3° |
| C11 | C10 | H101 | 104.5° | 108.5° |
| C10 | C11 | H111 | 109.5° | 110.0° |
| C11 | C12 | C13 | 112.8° | 109.1° |
| C12 | C11 | C06 | 103.5° | 109.6° |
| C12 | C11 | H111 | 110.1° | 110.3° |
| C11 | C12 | H121 | 108.6° | 109.5° |
| C11 | C12 | H122 | 108.6° | 109.5° |
| C12 | C13 | O14 | 118.2° | 121.2° |
| C12 | C13 | C15 | 118.8° | 117.7° |
| C13 | C12 | H121 | 108.6° | 109.6° |
| C13 | C12 | H122 | 108.6° | 109.6° |
| O14 | C13 | C15 | 123.0° | 121.2° |
| C13 | C15 | C16 | 113.0° | 108.1° |
| C13 | C15 | C20 | 117.6° | 110.4° |
| C13 | C15 | H151 | 104.3° | 109.6° |
| C15 | C16 | C17 | 107.4° | 109.0° |
| C15 | C16 | C23 | 111.8° | 109.4° |
| C15 | C16 | C10 | 108.6° | 109.3° |
| C16 | C15 | C20 | 112.6° | 109.1° |
| C16 | C15 | H151 | 103.6° | 110.0° |
| C17 | C18 | C19 | 110.2° | 109.9° |
| C17 | C18 | O22 | 110.0° | 109.4° |
| C18 | C17 | C16 | 115.7° | 109.1° |
| C18 | C17 | H171 | 107.9° | 109.6° |
| C18 | C17 | H172 | 107.9° | 109.6° |
| C17 | C18 | H181 | 108.5° | 109.4° |
| C20 | C19 | O21 | 108.4° | 109.4° |
| C20 | C19 | C18 | 110.4° | 109.9° |
| C19 | C20 | C15 | 114.1° | 108.9° |
| C20 | C19 | H191 | 108.7° | 109.4° |
| C19 | C20 | H202 | 108.3° | 109.5° |
| C19 | C20 | H201 | 108.3° | 109.6° |
| O21 | C19 | C18 | 109.7° | 109.4° |
| O21 | C19 | H191 | 111.0° | 109.3° |
| C19 | O21 | H211 | 109.5° | 114.0° |
| C19 | C18 | O22 | 109.4° | 109.4° |
| C19 | C18 | H181 | 108.3° | 109.4° |
| C18 | C19 | H191 | 108.6° | 109.4° |
| O22 | C18 | H181 | 110.5° | 109.4° |
| C18 | O22 | H221 | 109.5° | 114.0° |
| C17 | C16 | C23 | 105.5° | 109.0° |
| C17 | C16 | C10 | 114.3° | 110.6° |
| C16 | C17 | H171 | 107.9° | 109.5° |
| C16 | C17 | H172 | 107.9° | 109.5° |
| C23 | C16 | C10 | 109.3° | 109.4° |
| C16 | C23 | H231 | 109.5° | 109.5° |
| C16 | C23 | H233 | 109.5° | 109.5° |
| C16 | C23 | H232 | 109.5° | 109.5° |
| C08 | C07 | C24 | 105.9° | 110.0° |
| C08 | C07 | C03 | 122.1° | 116.4° |
| C07 | C08 | H081 | 108.5° | 109.9° |
| C07 | C08 | H082 | 108.5° | 109.9° |
| C24 | C07 | C03 | 109.3° | 109.8° |
| C07 | C24 | H242 | 109.5° | 109.4° |
| C07 | C24 | H241 | 109.5° | 109.4° |
| C07 | C24 | H243 | 109.5° | 109.5° |
| C03 | C02 | C25 | 112.5° | 109.5° |
| C02 | C03 | C07 | 115.6° | 110.2° |
| C03 | C02 | H021 | 106.8° | 109.5° |
| C02 | C03 | H031 | 108.6° | 110.2° |
| C02 | C25 | C26 | 112.8° | 109.5° |
| C02 | C25 | O33 | 108.2° | 109.4° |
| C25 | C02 | H021 | 106.7° | 109.4° |
| C02 | C25 | H251 | 107.7° | 109.4° |
| C28 | C27 | C29 | 111.7° | 109.5° |
| C28 | C27 | C26 | 111.9° | 109.5° |
| C28 | C27 | H271 | 107.6° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.4° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C29 | C30 | 112.5° | 109.5° |
| C27 | C29 | C31 | 111.9° | 109.5° |
| C29 | C27 | C26 | 110.9° | 109.5° |
| C29 | C27 | H271 | 107.3° | 109.5° |
| C27 | C29 | H291 | 106.8° | 109.5° |
| C30 | C29 | C31 | 111.0° | 109.5° |
| C30 | C29 | H291 | 107.1° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C31 | C29 | H291 | 107.2° | 109.5° |
| C29 | C31 | H312 | 109.5° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.4° |
| C29 | C31 | H313 | 109.5° | 109.5° |
| C27 | C26 | O32 | 110.1° | 109.5° |
| C27 | C26 | C25 | 115.8° | 109.5° |
| C27 | C26 | H261 | 107.6° | 109.5° |
| C26 | C27 | H271 | 107.1° | 109.5° |
| O32 | C26 | C25 | 105.2° | 109.5° |
| O32 | C26 | H261 | 110.3° | 109.4° |
| C26 | O32 | H321 | 109.5° | 114.0° |
| C26 | C25 | O33 | 110.4° | 109.5° |
| C26 | C25 | H251 | 107.6° | 109.5° |
| C25 | C26 | H261 | 107.7° | 109.5° |
| O33 | C25 | H251 | 110.1° | 109.5° |
| C25 | O33 | H331 | 109.5° | 114.0° |
| C07 | C03 | H031 | 108.1° | 110.2° |
| C11 | C06 | H061 | 104.5° | 110.3° |
| C06 | C11 | H111 | 109.6° | 109.9° |
| C16 | C10 | H101 | 104.0° | 109.0° |
| C20 | C15 | H151 | 103.8° | 109.6° |
| C15 | C20 | H202 | 108.3° | 109.6° |
| C15 | C20 | H201 | 108.3° | 109.6° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 110.1° |
| H051 | C05 | H052 | 109.5° | 110.6° |
| H081 | C08 | H082 | 109.5° | 109.9° |
| H092 | C09 | H091 | 109.5° | 109.0° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.6° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.5° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.4° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 163.8° | 179.3° |
| C01 | C02 | C03 | C25 | 127.0° | 120.0° |
| C01 | C02 | C03 | H021 | 116.3° | 120.1° |
| C01 | C02 | C25 | H021 | 117.0° | 120.0° |
| C01 | C02 | C25 | C26 | 65.8° | 59.0° |
| C01 | C02 | C25 | O33 | 56.7° | 61.0° |
| C01 | C02 | C03 | C07 | 44.8° | 64.8° |
| 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 | 76.8° | 57.2° |
| C01 | C02 | C25 | H251 | 175.6° | 179.0° |
| C03 | C04 | C05 | H041 | 119.6° | 119.2° |
| C03 | C04 | C05 | H042 | 119.6° | 119.3° |
| C03 | C04 | C05 | C06 | 9.2° | 24.0° |
| C04 | C03 | C07 | C06 | 37.7° | 29.2° |
| C04 | C03 | C07 | C08 | 157.2° | 146.2° |
| C04 | C03 | C07 | C24 | 78.5° | 87.9° |
| C04 | C03 | C02 | C07 | 119.0° | 115.9° |
| C04 | C03 | C02 | H031 | 119.4° | 122.1° |
| C04 | C03 | C02 | C25 | 69.2° | 59.3° |
| C04 | C03 | C07 | H031 | 115.3° | 119.1° |
| C04 | C03 | C02 | H021 | 47.5° | 60.6° |
| C03 | C04 | H041 | H042 | 121.3° | 121.5° |
| C03 | C04 | C05 | H051 | 128.5° | 142.3° |
| C03 | C04 | C05 | H052 | 110.1° | 94.6° |
| C04 | C05 | C06 | H051 | 119.3° | 118.4° |
| C04 | C05 | C06 | H052 | 119.3° | 118.5° |
| C04 | C05 | C06 | C07 | 33.4° | 41.6° |
| C05 | C04 | C03 | C02 | 143.2° | 122.4° |
| C05 | C04 | C03 | C07 | 17.7° | 3.4° |
| C04 | C05 | C06 | C11 | 165.8° | 157.5° |
| C05 | C04 | C03 | H031 | 97.4° | 115.6° |
| C05 | C04 | H041 | H042 | 121.3° | 121.6° |
| C04 | C05 | H051 | H052 | 122.0° | 123.2° |
| C04 | C05 | C06 | H061 | 76.1° | 76.3° |
| C05 | C06 | C07 | C11 | 136.2° | 122.0° |
| C05 | C06 | C07 | H061 | 109.5° | 117.4° |
| C05 | C06 | C11 | C10 | 175.2° | 177.1° |
| C05 | C06 | C11 | C12 | 54.2° | 64.0° |
| C05 | C06 | C07 | C08 | 172.7° | 167.8° |
| C05 | C06 | C07 | C24 | 72.0° | 72.7° |
| C05 | C06 | C07 | C03 | 43.5° | 44.3° |
| C05 | C06 | C11 | H061 | 118.2° | 126.2° |
| C06 | C05 | C04 | H041 | 110.4° | 95.2° |
| C06 | C05 | C04 | H042 | 128.8° | 143.2° |
| C06 | C05 | H051 | H052 | 121.9° | 123.3° |
| C05 | C06 | C11 | H111 | 63.1° | 57.5° |
| C06 | C07 | C08 | C09 | 49.3° | 64.7° |
| C07 | C06 | C11 | C10 | 57.4° | 64.4° |
| C07 | C06 | C11 | C12 | 178.4° | 176.7° |
| C06 | C07 | C08 | C24 | 118.2° | 119.4° |
| C06 | C07 | C08 | C03 | 116.1° | 114.9° |
| C06 | C07 | C24 | C03 | 110.1° | 112.9° |
| C06 | C07 | C03 | C02 | 160.5° | 148.2° |
| C07 | C06 | C11 | H061 | 114.4° | 121.1° |
| C06 | C07 | C03 | H031 | 77.6° | 89.9° |
| C07 | C06 | C05 | H051 | 152.8° | 160.0° |
| C07 | C06 | C05 | H052 | 85.9° | 76.8° |
| C06 | C07 | C08 | H081 | 71.3° | 175.9° |
| C06 | C07 | C08 | H082 | 169.9° | 54.8° |
| C07 | C06 | C11 | H111 | 64.3° | 55.2° |
| C06 | C07 | C24 | H242 | 180.0° | 177.2° |
| C06 | C07 | C24 | H241 | 60.0° | 62.8° |
| C06 | C07 | C24 | H243 | 60.0° | 57.2° |
| C08 | C09 | C10 | H092 | 120.8° | 120.6° |
| C08 | C09 | C10 | H091 | 120.8° | 120.5° |
| C08 | C09 | C10 | C11 | 57.2° | 54.4° |
| C09 | C08 | C07 | H081 | 120.6° | 119.4° |
| C09 | C08 | C07 | H082 | 120.6° | 119.5° |
| C09 | C08 | C07 | C24 | 68.8° | 54.7° |
| C09 | C08 | C07 | C03 | 165.4° | 179.5° |
| C08 | C09 | C10 | C16 | 170.8° | 175.5° |
| C09 | C08 | H081 | H082 | 118.2° | 121.2° |
| C08 | C09 | H092 | H091 | 117.7° | 118.9° |
| C08 | C09 | C10 | H101 | 52.9° | 65.4° |
| C09 | C10 | C11 | C16 | 137.0° | 121.3° |
| C09 | C10 | C11 | H101 | 110.3° | 120.0° |
| C09 | C10 | C11 | C12 | 172.0° | 176.1° |
| C09 | C10 | C16 | C15 | 178.4° | 173.1° |
| C09 | C10 | C16 | C17 | 61.8° | 53.0° |
| C09 | C10 | C16 | C23 | 56.2° | 67.1° |
| C10 | C09 | C08 | C07 | 57.1° | 57.5° |
| C09 | C10 | C11 | C06 | 56.2° | 57.1° |
| C09 | C10 | C16 | H101 | 118.4° | 119.1° |
| C10 | C09 | C08 | H081 | 63.5° | 177.0° |
| C10 | C09 | C08 | H082 | 177.7° | 61.9° |
| C10 | C09 | H092 | H091 | 117.7° | 118.9° |
| C09 | C10 | C11 | H111 | 65.5° | 62.4° |
| C10 | C11 | C12 | C06 | 120.9° | 117.5° |
| C10 | C11 | C12 | H111 | 122.1° | 121.2° |
| C10 | C11 | C12 | C13 | 48.7° | 53.8° |
| C11 | C10 | C16 | C15 | 49.8° | 64.3° |
| C11 | C10 | C16 | C17 | 169.6° | 175.5° |
| C11 | C10 | C16 | C23 | 72.4° | 55.4° |
| C10 | C11 | C06 | H111 | 121.7° | 119.6° |
| C11 | C10 | C16 | H101 | 113.0° | 118.4° |
| C10 | C11 | C06 | H061 | 57.0° | 56.7° |
| C11 | C10 | C09 | H092 | 63.6° | 66.2° |
| C11 | C10 | C09 | H091 | 178.0° | 174.9° |
| C10 | C11 | C12 | H121 | 71.8° | 66.1° |
| C10 | C11 | C12 | H122 | 169.2° | 173.8° |
| C11 | C12 | C13 | H121 | 120.5° | 119.8° |
| C11 | C12 | C13 | H122 | 120.5° | 119.9° |
| C11 | C12 | C13 | O14 | 129.6° | 128.6° |
| C11 | C12 | C13 | C15 | 50.2° | 51.4° |
| C12 | C11 | C06 | H111 | 117.4° | 121.5° |
| C12 | C11 | C10 | C16 | 50.9° | 62.6° |
| C12 | C11 | C06 | H061 | 63.9° | 62.2° |
| C12 | C11 | C10 | H101 | 61.7° | 56.1° |
| C11 | C12 | H121 | H122 | 118.5° | 120.1° |
| C12 | C13 | O14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C15 | C16 | 50.8° | 52.7° |
| C13 | C12 | C11 | C06 | 169.6° | 171.3° |
| C12 | C13 | C15 | C20 | 175.3° | 172.0° |
| C13 | C12 | C11 | H111 | 73.4° | 67.5° |
| C13 | C12 | H121 | H122 | 118.5° | 120.3° |
| C12 | C13 | C15 | H151 | 61.0° | 67.3° |
| O14 | C13 | C15 | C16 | 129.0° | 127.3° |
| O14 | C13 | C15 | C20 | 4.9° | 8.0° |
| O14 | C13 | C12 | H121 | 109.9° | 111.6° |
| O14 | C13 | C12 | H122 | 9.1° | 8.7° |
| O14 | C13 | C15 | H151 | 119.2° | 112.8° |
| C13 | C15 | C16 | C20 | 136.3° | 120.1° |
| C13 | C15 | C16 | H151 | 112.2° | 119.6° |
| C13 | C15 | C20 | C19 | 171.0° | 179.8° |
| C13 | C15 | C16 | C17 | 171.6° | 177.9° |
| C13 | C15 | C16 | C23 | 73.1° | 63.0° |
| C13 | C15 | C16 | C10 | 47.6° | 56.8° |
| C13 | C15 | C20 | H151 | 114.5° | 120.8° |
| C15 | C13 | C12 | H121 | 70.3° | 68.4° |
| C15 | C13 | C12 | H122 | 170.7° | 171.3° |
| C13 | C15 | C20 | H202 | 68.3° | 60.4° |
| C13 | C15 | C20 | H201 | 50.3° | 59.9° |
| C15 | C16 | C17 | C18 | 54.9° | 60.9° |
| C16 | C15 | C20 | C19 | 54.9° | 61.0° |
| C15 | C16 | C17 | C23 | 119.4° | 119.4° |
| C15 | C16 | C17 | C10 | 120.5° | 120.3° |
| C15 | C16 | C23 | C10 | 120.3° | 119.8° |
| C16 | C15 | C20 | H151 | 111.4° | 120.5° |
| C15 | C16 | C10 | H101 | 63.2° | 54.0° |
| C15 | C16 | C17 | H171 | 66.1° | 179.2° |
| C15 | C16 | C17 | H172 | 175.8° | 59.1° |
| C16 | C15 | C20 | H202 | 65.8° | 179.1° |
| C16 | C15 | C20 | H201 | 175.6° | 58.8° |
| C15 | C16 | C23 | H231 | 180.0° | 179.7° |
| C15 | C16 | C23 | H233 | 60.0° | 60.2° |
| C15 | C16 | C23 | H232 | 60.0° | 59.7° |
| C17 | C18 | C19 | C20 | 52.4° | 59.1° |
| C17 | C18 | C19 | O21 | 67.1° | 61.0° |
| C17 | C18 | C19 | O22 | 121.0° | 120.1° |
| C17 | C18 | C19 | H181 | 118.5° | 120.1° |
| C17 | C18 | O22 | H181 | 119.7° | 119.8° |
| C18 | C17 | C16 | H171 | 120.9° | 119.9° |
| C18 | C17 | C16 | H172 | 120.9° | 120.0° |
| C18 | C17 | C16 | C23 | 64.5° | 58.5° |
| C18 | C17 | C16 | C10 | 175.4° | 178.8° |
| C18 | C17 | H171 | H172 | 117.2° | 120.3° |
| C17 | C18 | C19 | H191 | 171.4° | 179.2° |
| C17 | C18 | O22 | H221 | 180.0° | 180.0° |
| C20 | C19 | O21 | C18 | 120.7° | 120.4° |
| C20 | C19 | O21 | H191 | 119.3° | 119.8° |
| C20 | C19 | C18 | H191 | 119.0° | 120.1° |
| C20 | C19 | C18 | O22 | 173.4° | 179.2° |
| C19 | C20 | C15 | H202 | 120.7° | 119.8° |
| C19 | C20 | C15 | H201 | 120.7° | 119.9° |
| C19 | C20 | C15 | H151 | 56.5° | 59.5° |
| C20 | C19 | C18 | H181 | 66.1° | 61.0° |
| C19 | C20 | H202 | H201 | 117.9° | 120.2° |
| C20 | C19 | O21 | H211 | 180.0° | 179.7° |
| O21 | C19 | C18 | H191 | 121.5° | 119.8° |
| O21 | C19 | C18 | O22 | 53.9° | 59.1° |
| O21 | C19 | C20 | C15 | 66.6° | 60.5° |
| O21 | C19 | C18 | H181 | 174.4° | 178.9° |
| O21 | C19 | C20 | H202 | 172.8° | 59.3° |
| O21 | C19 | C20 | H201 | 54.1° | 179.6° |
| C19 | C18 | O22 | H181 | 119.1° | 119.8° |
| C19 | C18 | C17 | C16 | 56.3° | 59.5° |
| C18 | C19 | C20 | C15 | 53.6° | 59.6° |
| C19 | C18 | C17 | H171 | 64.7° | 179.4° |
| C19 | C18 | C17 | H172 | 177.2° | 60.4° |
| C18 | C19 | C20 | H202 | 67.0° | 179.5° |
| C18 | C19 | C20 | H201 | 174.3° | 60.2° |
| C18 | C19 | O21 | H211 | 59.3° | 59.9° |
| C19 | C18 | O22 | H221 | 58.8° | 59.6° |
| O22 | C18 | C17 | C16 | 176.9° | 179.6° |
| O22 | C18 | C17 | H171 | 56.0° | 60.5° |
| O22 | C18 | C17 | H172 | 62.1° | 59.7° |
| O22 | C18 | C19 | H191 | 67.5° | 60.7° |
| C17 | C16 | C23 | C10 | 123.3° | 121.1° |
| C17 | C16 | C15 | C20 | 52.1° | 62.0° |
| C17 | C16 | C10 | H101 | 56.6° | 66.1° |
| C17 | C16 | C15 | H151 | 59.4° | 58.3° |
| C16 | C17 | H171 | H172 | 117.1° | 120.1° |
| C16 | C17 | C18 | H181 | 62.2° | 60.6° |
| C17 | C16 | C23 | H231 | 63.6° | 61.2° |
| C17 | C16 | C23 | H233 | 56.4° | 58.9° |
| C17 | C16 | C23 | H232 | 176.4° | 178.9° |
| C23 | C16 | C15 | C20 | 63.2° | 57.1° |
| C23 | C16 | C10 | H101 | 174.6° | 173.8° |
| C23 | C16 | C15 | H151 | 174.7° | 177.4° |
| C23 | C16 | C17 | H171 | 174.6° | 61.4° |
| C23 | C16 | C17 | H172 | 56.4° | 178.5° |
| C16 | C23 | H231 | H233 | 120.0° | 120.1° |
| C16 | C23 | H231 | H232 | 120.0° | 120.0° |
| C16 | C23 | H233 | H232 | 120.0° | 120.0° |
| C08 | C07 | C24 | C03 | 133.3° | 129.4° |
| C08 | C07 | C03 | C02 | 79.9° | 94.8° |
| C08 | C07 | C06 | C11 | 51.0° | 70.2° |
| C08 | C07 | C03 | H031 | 41.9° | 27.2° |
| C08 | C07 | C06 | H061 | 63.3° | 50.4° |
| C07 | C08 | H081 | H082 | 118.2° | 121.1° |
| C07 | C08 | C09 | H092 | 63.7° | 63.1° |
| C07 | C08 | C09 | H091 | 177.8° | 178.0° |
| C08 | C07 | C24 | H242 | 63.3° | 65.1° |
| C08 | C07 | C24 | H241 | 56.7° | 54.9° |
| C08 | C07 | C24 | H243 | 176.7° | 174.9° |
| C24 | C07 | C03 | C02 | 44.3° | 31.1° |
| C24 | C07 | C06 | C11 | 64.2° | 49.3° |
| C24 | C07 | C03 | H031 | 166.2° | 153.0° |
| C24 | C07 | C06 | H061 | 178.6° | 169.9° |
| C24 | C07 | C08 | H081 | 170.6° | 64.7° |
| C24 | C07 | C08 | H082 | 51.7° | 174.2° |
| C07 | C24 | H242 | H241 | 120.0° | 120.0° |
| C07 | C24 | H242 | H243 | 120.0° | 120.0° |
| C07 | C24 | H241 | H243 | 120.0° | 120.0° |
| C03 | C02 | C25 | H021 | 116.8° | 120.0° |
| C03 | C02 | C25 | C26 | 168.0° | 179.0° |
| C03 | C02 | C25 | O33 | 69.5° | 59.0° |
| C02 | C03 | C07 | H031 | 121.9° | 122.0° |
| C03 | C02 | C01 | H012 | 180.0° | 58.1° |
| C03 | C02 | C01 | H011 | 60.0° | 178.1° |
| C03 | C02 | C01 | H013 | 60.0° | 61.9° |
| C02 | C03 | C04 | H041 | 97.3° | 118.5° |
| C02 | C03 | C04 | H042 | 23.6° | 3.0° |
| C03 | C02 | C25 | H251 | 49.4° | 61.0° |
| C02 | C25 | C26 | C27 | 47.7° | 59.4° |
| C02 | C25 | C26 | O32 | 169.5° | 179.4° |
| C02 | C25 | C26 | O33 | 121.2° | 120.0° |
| C02 | C25 | C26 | H251 | 118.6° | 120.0° |
| C02 | C25 | O33 | H251 | 117.4° | 120.0° |
| C25 | C02 | C03 | C07 | 171.8° | 175.2° |
| C25 | C02 | C01 | H012 | 53.0° | 178.1° |
| C25 | C02 | C01 | H011 | 67.0° | 62.0° |
| C25 | C02 | C01 | H013 | 173.0° | 58.0° |
| C25 | C02 | C03 | H031 | 50.2° | 62.8° |
| C02 | C25 | C26 | H261 | 72.8° | 60.6° |
| C02 | C25 | O33 | H331 | 180.0° | 60.0° |
| C28 | C27 | C29 | C26 | 125.6° | 120.0° |
| C28 | C27 | C29 | H271 | 117.7° | 120.0° |
| C28 | C27 | C29 | C30 | 160.5° | NaN° |
| C28 | C27 | C29 | C31 | 34.8° | 60.0° |
| C28 | C27 | C26 | H271 | 117.7° | 120.0° |
| C28 | C27 | C26 | O32 | 64.7° | 59.2° |
| C28 | C27 | C26 | C25 | 54.4° | 60.8° |
| C28 | C27 | C26 | H261 | 175.0° | 179.1° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.1° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C28 | C27 | C29 | H291 | 82.3° | 60.0° |
| C27 | C29 | C30 | C31 | 126.2° | 120.0° |
| C27 | C29 | C30 | H291 | 117.1° | 120.0° |
| C27 | C29 | C31 | H291 | 116.8° | 120.0° |
| C29 | C27 | C26 | H271 | 116.8° | 120.0° |
| C29 | C27 | C26 | O32 | 60.8° | 60.8° |
| C29 | C27 | C26 | C25 | 179.9° | 179.1° |
| C29 | C27 | C26 | H261 | 59.5° | 59.1° |
| C29 | C27 | C28 | H281 | 180.0° | 175.2° |
| C29 | C27 | C28 | H283 | 60.0° | 55.2° |
| C29 | C27 | C28 | H282 | 60.0° | 64.7° |
| C27 | C29 | C30 | H302 | 180.0° | 60.0° |
| C27 | C29 | C30 | H303 | 60.0° | 180.0° |
| C27 | C29 | C30 | H301 | 60.0° | 60.0° |
| C27 | C29 | C31 | H312 | 180.0° | 60.0° |
| C27 | C29 | C31 | H311 | 60.0° | 60.0° |
| C27 | C29 | C31 | H313 | 60.0° | 180.0° |
| C30 | C29 | C31 | H291 | 116.6° | 120.0° |
| C30 | C29 | C27 | C26 | 73.9° | 60.0° |
| C30 | C29 | C27 | H271 | 42.8° | 60.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H301 | 120.0° | 120.0° |
| C29 | C30 | H303 | H301 | 120.0° | 120.0° |
| C30 | C29 | C31 | H312 | 53.5° | 60.0° |
| C30 | C29 | C31 | H311 | 66.5° | 180.0° |
| C30 | C29 | C31 | H313 | 173.5° | 60.0° |
| C31 | C29 | C27 | C26 | 160.4° | NaN° |
| C31 | C29 | C27 | H271 | 82.9° | 60.0° |
| C31 | C29 | C30 | H302 | 53.7° | 60.0° |
| C31 | C29 | C30 | H303 | 173.8° | 60.0° |
| C31 | C29 | C30 | H301 | 66.2° | 180.0° |
| C29 | C31 | H312 | H311 | 120.0° | 120.0° |
| C29 | C31 | H312 | H313 | 120.0° | 120.0° |
| C29 | C31 | H311 | H313 | 120.0° | 120.0° |
| C27 | C26 | O32 | C25 | 125.5° | 120.0° |
| C27 | C26 | O32 | H261 | 118.7° | 120.0° |
| C27 | C26 | C25 | H261 | 120.5° | 120.0° |
| C27 | C26 | C25 | O33 | 168.9° | 179.3° |
| C27 | C26 | C25 | H251 | 71.0° | 60.6° |
| C26 | C27 | C28 | H281 | 54.9° | 55.2° |
| C26 | C27 | C28 | H283 | 65.1° | 64.8° |
| C26 | C27 | C28 | H282 | 174.9° | 175.2° |
| C26 | C27 | C29 | H291 | 43.4° | 60.0° |
| C27 | C26 | O32 | H321 | 180.0° | 60.0° |
| O32 | C26 | C25 | H261 | 117.7° | 120.0° |
| O32 | C26 | C25 | O33 | 69.2° | 60.7° |
| O32 | C26 | C25 | H251 | 50.9° | 59.4° |
| O32 | C26 | C27 | H271 | 177.6° | 179.2° |
| C26 | C25 | O33 | H251 | 118.6° | 120.1° |
| C26 | C25 | C02 | H021 | 51.2° | 61.0° |
| C25 | C26 | C27 | H271 | 63.3° | 59.1° |
| C25 | C26 | O32 | H321 | 54.5° | 60.0° |
| C26 | C25 | O33 | H331 | 56.0° | 60.0° |
| O33 | C25 | C02 | H021 | 173.7° | 179.0° |
| O33 | C25 | C26 | H261 | 48.4° | 59.3° |
| C03 | C07 | C06 | C11 | 179.7° | 166.4° |
| C07 | C03 | C02 | H021 | 71.5° | 55.3° |
| C07 | C03 | C04 | H041 | 137.3° | 122.6° |
| C07 | C03 | C04 | H042 | 101.9° | 115.9° |
| C03 | C07 | C06 | H061 | 65.9° | 73.1° |
| C03 | C07 | C08 | H081 | 44.8° | 61.0° |
| C03 | C07 | C08 | H082 | 74.1° | 60.0° |
| C03 | C07 | C24 | H242 | 69.9° | 64.3° |
| C03 | C07 | C24 | H241 | 170.1° | 175.7° |
| C03 | C07 | C24 | H243 | 50.1° | 55.7° |
| C06 | C11 | C10 | C16 | 166.7° | 178.4° |
| C11 | C06 | C05 | H051 | 74.9° | 84.1° |
| C11 | C06 | C05 | H052 | 46.4° | 39.0° |
| C06 | C11 | C10 | H101 | 54.1° | 62.9° |
| C06 | C11 | C12 | H121 | 49.1° | 51.4° |
| C06 | C11 | C12 | H122 | 69.9° | 68.7° |
| C10 | C16 | C15 | C20 | 176.1° | 176.9° |
| C16 | C10 | C09 | H092 | 68.4° | 55.0° |
| C16 | C10 | C09 | H091 | 50.1° | 64.0° |
| C16 | C10 | C11 | H111 | 71.5° | 58.8° |
| C10 | C16 | C15 | H151 | 64.6° | 62.8° |
| C10 | C16 | C17 | H171 | 54.4° | 58.9° |
| C10 | C16 | C17 | H172 | 63.7° | 61.2° |
| C10 | C16 | C23 | H231 | 59.7° | 59.9° |
| C10 | C16 | C23 | H233 | 179.7° | 180.0° |
| C10 | C16 | C23 | H232 | 60.3° | 60.0° |
| C15 | C20 | C19 | H191 | 172.7° | 179.7° |
| C15 | C20 | H202 | H201 | 117.9° | 120.3° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 63.8° | 62.0° |
| H011 | C01 | C02 | H021 | 176.2° | 58.0° |
| H013 | C01 | C02 | H021 | 56.2° | 178.0° |
| H021 | C02 | C03 | H031 | 166.9° | 177.2° |
| H021 | C02 | C25 | H251 | 67.4° | 59.0° |
| H031 | C03 | C04 | H041 | 22.2° | 3.6° |
| H031 | C03 | C04 | H042 | 143.1° | 125.1° |
| H041 | C04 | C05 | H051 | 8.9° | 23.1° |
| H041 | C04 | C05 | H052 | 130.3° | 146.2° |
| H042 | C04 | C05 | H051 | 111.9° | 98.4° |
| H042 | C04 | C05 | H052 | 9.4° | 24.7° |
| H051 | C05 | C06 | H061 | 43.2° | 42.1° |
| H052 | C05 | C06 | H061 | 164.6° | 165.2° |
| H061 | C06 | C11 | H111 | 178.7° | 176.3° |
| H081 | C08 | C09 | H092 | 175.8° | 56.3° |
| H081 | C08 | C09 | H091 | 57.3° | 62.6° |
| H082 | C08 | C09 | H092 | 56.9° | 177.5° |
| H082 | C08 | C09 | H091 | 61.6° | 58.5° |
| H092 | C09 | C10 | H101 | 173.6° | 174.1° |
| H091 | C09 | C10 | H101 | 67.9° | 55.1° |
| H101 | C10 | C11 | H111 | 175.9° | 177.6° |
| H111 | C11 | C12 | H121 | 166.1° | 172.7° |
| H111 | C11 | C12 | H122 | 47.1° | 52.5° |
| H151 | C15 | C20 | H202 | 177.2° | 60.3° |
| H151 | C15 | C20 | H201 | 64.2° | 179.3° |
| H171 | C17 | C18 | H181 | 176.9° | 59.2° |
| H172 | C17 | C18 | H181 | 58.7° | 179.5° |
| H181 | C18 | C19 | H191 | 52.9° | 59.1° |
| H181 | C18 | O22 | H221 | 60.4° | 60.2° |
| H191 | C19 | C20 | H202 | 52.0° | 60.4° |
| H191 | C19 | C20 | H201 | 66.7° | 59.9° |
| H191 | C19 | O21 | H211 | 60.7° | 59.8° |
| H231 | C23 | H233 | H232 | 120.0° | 119.9° |
| H242 | C24 | H241 | H243 | 120.0° | 120.1° |
| H251 | C25 | C26 | H261 | 168.5° | 179.4° |
| H251 | C25 | O33 | H331 | 62.6° | 180.0° |
| H261 | C26 | C27 | H271 | 57.3° | 60.9° |
| H261 | C26 | O32 | H321 | 61.4° | 180.0° |
| H271 | C27 | C28 | H281 | 62.5° | 64.8° |
| H271 | C27 | C28 | H283 | 177.5° | 175.2° |
| H271 | C27 | C28 | H282 | 57.5° | 55.3° |
| H271 | C27 | C29 | H291 | 160.0° | 180.0° |
| H281 | C28 | H283 | H282 | 120.0° | 120.0° |
| H291 | C29 | C30 | H302 | 63.0° | NaN° |
| H291 | C29 | C30 | H303 | 57.1° | 60.0° |
| H291 | C29 | C30 | H301 | 177.1° | 60.0° |
| H291 | C29 | C31 | H312 | 63.2° | 180.0° |
| H291 | C29 | C31 | H311 | 176.8° | 60.0° |
| H291 | C29 | C31 | H313 | 56.9° | 60.0° |
| H302 | C30 | H303 | H301 | 119.9° | 120.0° |
| H312 | C31 | H311 | H313 | 120.0° | 120.1° |
