A1JMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.67Å | |
| C04 | C03 | sing | 1.55Å | 1.54Å | |
| C05 | C04 | sing | 1.55Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.46Å | |
| C07 | C06 | sing | 1.54Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.59Å | |
| C10 | C09 | sing | 1.54Å | 1.51Å | |
| C11 | C10 | sing | 1.54Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| O13 | C12 | sing | 1.41Å | 1.42Å | |
| C14 | O13 | sing | 1.30Å | 1.39Å | |
| O15 | C14 | doub | 1.23Å | 1.21Å | |
| C16 | C14 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.49Å | 1.55Å | |
| C19 | C18 | sing | 1.52Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| O22 | C20 | sing | 1.43Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| O23 | C19 | sing | 1.44Å | 1.41Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C24 | C17 | sing | 1.52Å | 1.58Å | |
| C08 | C07 | sing | 1.52Å | 1.43Å | |
| C25 | C07 | sing | 1.53Å | 1.57Å | |
| C03 | C02 | sing | 1.53Å | 1.65Å | |
| C26 | C02 | sing | 1.53Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C30 | C28 | sing | 1.53Å | 1.56Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C32 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| O33 | C27 | sing | 1.43Å | 1.41Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| O34 | C26 | sing | 1.43Å | 1.38Å | |
| C03 | C07 | sing | 1.54Å | 1.48Å | |
| C06 | C11 | sing | 1.52Å | 1.61Å | |
| C10 | C17 | sing | 1.50Å | 1.64Å | |
| C16 | C21 | sing | 1.52Å | 1.55Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | 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 | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | 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 | |
| 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 | 1.10Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.08Å | 1.10Å | |
| C16 | H161 | sing | 1.11Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 131.2° | 109.4° |
| C01 | C02 | C26 | 115.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H021 | 101.5° | 109.5° |
| C03 | C04 | C05 | 115.9° | 106.3° |
| C04 | C03 | C02 | 127.9° | 110.4° |
| C04 | C03 | C07 | 91.2° | 105.1° |
| C04 | C03 | H031 | 105.2° | 110.4° |
| C03 | C04 | H041 | 107.8° | 110.1° |
| C03 | C04 | H042 | 107.8° | 110.1° |
| C04 | C05 | C06 | 101.9° | 102.1° |
| C05 | C04 | H041 | 107.8° | 110.1° |
| C05 | C04 | H042 | 107.8° | 110.0° |
| C04 | C05 | H051 | 111.3° | 110.2° |
| C04 | C05 | H052 | 111.3° | 111.5° |
| C05 | C06 | C07 | 98.7° | 102.2° |
| C05 | C06 | C11 | 101.8° | 116.6° |
| C06 | C05 | H051 | 111.3° | 110.5° |
| C06 | C05 | H052 | 111.4° | 111.9° |
| C05 | C06 | H061 | 112.7° | 108.6° |
| C06 | C07 | C08 | 107.9° | 106.3° |
| C06 | C07 | C25 | 114.9° | 112.5° |
| C06 | C07 | C03 | 116.9° | 101.7° |
| C07 | C06 | C11 | 120.3° | 112.1° |
| C07 | C06 | H061 | 111.8° | 109.1° |
| C08 | C09 | C10 | 136.9° | 112.3° |
| C09 | C08 | C07 | 102.3° | 107.1° |
| C09 | C08 | H081 | 111.2° | 109.7° |
| C09 | C08 | H082 | 111.3° | 109.6° |
| C08 | C09 | H091 | 102.3° | 107.1° |
| C08 | C09 | H092 | 102.2° | 110.6° |
| C09 | C10 | C11 | 105.4° | 110.8° |
| C09 | C10 | C17 | 118.9° | 107.9° |
| C09 | C10 | H101 | 107.5° | 107.3° |
| C10 | C09 | H091 | 102.2° | 107.6° |
| C10 | C09 | H092 | 102.3° | 110.0° |
| C10 | C11 | C12 | 104.8° | 108.4° |
| C10 | C11 | C06 | 104.3° | 107.1° |
| C11 | C10 | C17 | 110.7° | 114.7° |
| C11 | C10 | H101 | 107.8° | 108.1° |
| C10 | C11 | H111 | 112.3° | 115.5° |
| C11 | C12 | O13 | 118.9° | 116.6° |
| C12 | C11 | C06 | 113.5° | 104.6° |
| C12 | C11 | H111 | 111.0° | 111.5° |
| C11 | C12 | H122 | 107.1° | 107.5° |
| C11 | C12 | H121 | 107.0° | 107.4° |
| C12 | O13 | C14 | 119.7° | 128.5° |
| O13 | C12 | H122 | 107.1° | 109.1° |
| O13 | C12 | H121 | 107.1° | 109.1° |
| O13 | C14 | O15 | 114.1° | 118.8° |
| O13 | C14 | C16 | 121.9° | 123.2° |
| O15 | C14 | C16 | 124.1° | 117.9° |
| C14 | C16 | C17 | 114.0° | 114.8° |
| C14 | C16 | C21 | 110.1° | 110.3° |
| C14 | C16 | H161 | 105.9° | 105.7° |
| C16 | C17 | C18 | 111.2° | 111.6° |
| C16 | C17 | C24 | 105.1° | 104.5° |
| C16 | C17 | C10 | 107.9° | 120.3° |
| C17 | C16 | C21 | 114.6° | 114.0° |
| C17 | C16 | H161 | 105.7° | 105.5° |
| C18 | C19 | C20 | 116.8° | 111.9° |
| C18 | C19 | O23 | 107.7° | 108.8° |
| C19 | C18 | C17 | 121.5° | 112.7° |
| C19 | C18 | H181 | 106.4° | 108.7° |
| C19 | C18 | H182 | 106.4° | 109.4° |
| C18 | C19 | H191 | 107.3° | 111.1° |
| C21 | C20 | O22 | 107.8° | 109.9° |
| C21 | C20 | C19 | 110.9° | 110.2° |
| C20 | C21 | C16 | 110.1° | 109.4° |
| C21 | C20 | H201 | 108.7° | 109.1° |
| C20 | C21 | H212 | 109.3° | 108.5° |
| C20 | C21 | H211 | 109.3° | 110.7° |
| O22 | C20 | C19 | 109.9° | 109.8° |
| O22 | C20 | H201 | 111.0° | 109.0° |
| C20 | O22 | H221 | 109.5° | 114.0° |
| C20 | C19 | O23 | 108.6° | 108.3° |
| C20 | C19 | H191 | 107.1° | 109.5° |
| C19 | C20 | H201 | 108.5° | 109.0° |
| O23 | C19 | H191 | 109.2° | 107.2° |
| C19 | O23 | H231 | 109.5° | 114.0° |
| C18 | C17 | C24 | 103.8° | 101.2° |
| C18 | C17 | C10 | 110.8° | 111.7° |
| C17 | C18 | H181 | 106.4° | 109.1° |
| C17 | C18 | H182 | 106.4° | 108.5° |
| C24 | C17 | C10 | 118.0° | 105.2° |
| C17 | C24 | H242 | 109.5° | 109.4° |
| C17 | C24 | H243 | 109.5° | 109.5° |
| C17 | C24 | H241 | 109.4° | 109.4° |
| C08 | C07 | C25 | 101.0° | 111.5° |
| C08 | C07 | C03 | 119.2° | 115.0° |
| C07 | C08 | H081 | 111.2° | 110.4° |
| C07 | C08 | H082 | 111.2° | 110.0° |
| C25 | C07 | C03 | 95.5° | 109.3° |
| C07 | C25 | H252 | 109.5° | 109.5° |
| C07 | C25 | H253 | 109.5° | 109.4° |
| C07 | C25 | H251 | 109.5° | 109.5° |
| C03 | C02 | C26 | 100.5° | 109.5° |
| C02 | C03 | C07 | 120.5° | 110.1° |
| C03 | C02 | H021 | 101.7° | 109.5° |
| C02 | C03 | H031 | 104.1° | 110.7° |
| C02 | C26 | C27 | 106.3° | 109.5° |
| C02 | C26 | O34 | 100.5° | 109.5° |
| C02 | C26 | H261 | 110.1° | 109.5° |
| C26 | C02 | H021 | 103.1° | 109.5° |
| C29 | C28 | C30 | 111.3° | 109.5° |
| C29 | C28 | C27 | 109.9° | 109.4° |
| C29 | C28 | H281 | 108.0° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.4° |
| C28 | C30 | C31 | 111.0° | 109.5° |
| C28 | C30 | C32 | 111.9° | 109.5° |
| C30 | C28 | C27 | 111.4° | 109.4° |
| C30 | C28 | H281 | 107.8° | 109.5° |
| C28 | C30 | H301 | 107.3° | 109.4° |
| C31 | C30 | C32 | 111.5° | 109.5° |
| C31 | C30 | H301 | 107.4° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.4° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.4° |
| C32 | C30 | H301 | 107.5° | 109.5° |
| C30 | C32 | H321 | 109.5° | 109.5° |
| C30 | C32 | H323 | 109.5° | 109.5° |
| C30 | C32 | H322 | 109.5° | 109.5° |
| C28 | C27 | O33 | 110.5° | 109.5° |
| C28 | C27 | C26 | 106.3° | 109.5° |
| C28 | C27 | H271 | 110.1° | 109.5° |
| C27 | C28 | H281 | 108.1° | 109.5° |
| O33 | C27 | C26 | 107.9° | 109.4° |
| O33 | C27 | H271 | 112.0° | 109.5° |
| C27 | O33 | H331 | 109.5° | 114.1° |
| C27 | C26 | O34 | 118.7° | 109.5° |
| C27 | C26 | H261 | 109.1° | 109.4° |
| C26 | C27 | H271 | 109.9° | 109.5° |
| O34 | C26 | H261 | 111.5° | 109.4° |
| C26 | O34 | H341 | 109.5° | 114.0° |
| C07 | C03 | H031 | 105.7° | 110.0° |
| C06 | C11 | H111 | 110.5° | 109.1° |
| C11 | C06 | H061 | 110.5° | 108.0° |
| C17 | C10 | H101 | 106.1° | 107.7° |
| C21 | C16 | H161 | 105.8° | 105.7° |
| C16 | C21 | H212 | 109.3° | 108.6° |
| C16 | C21 | H211 | 109.3° | 111.9° |
| H122 | C12 | H121 | 109.5° | 106.7° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H253 | C25 | H251 | 109.4° | 109.4° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.4° |
| H323 | C32 | H322 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 110.2° |
| H051 | C05 | H052 | 109.4° | 110.4° |
| H081 | C08 | H082 | 109.5° | 109.9° |
| H091 | C09 | H092 | 109.5° | 109.1° |
| H181 | C18 | H182 | 109.5° | 108.3° |
| H212 | C21 | H211 | 109.5° | 107.7° |
| H242 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 152.4° | 179.0° |
| C01 | C02 | C03 | C26 | 137.2° | 120.0° |
| C01 | C02 | C03 | H021 | 116.9° | 120.0° |
| C01 | C02 | C26 | H021 | 109.6° | 120.0° |
| C01 | C02 | C26 | C27 | 66.9° | 65.9° |
| C01 | C02 | C26 | O34 | 57.5° | 54.2° |
| C01 | C02 | C03 | C07 | 33.1° | 65.4° |
| C01 | C02 | C26 | H261 | 175.1° | 174.1° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 85.1° | 56.5° |
| C03 | C04 | C05 | H041 | 120.9° | 119.2° |
| C03 | C04 | C05 | H042 | 120.9° | 119.2° |
| C03 | C04 | C05 | C06 | 16.5° | 23.0° |
| C04 | C03 | C07 | C06 | 30.5° | 32.0° |
| C04 | C03 | C07 | C08 | 163.1° | 146.5° |
| C04 | C03 | C07 | C25 | 91.0° | 87.2° |
| C04 | C03 | C02 | C07 | 119.3° | 115.6° |
| C04 | C03 | C02 | H031 | 122.5° | 122.5° |
| C04 | C03 | C02 | C26 | 70.4° | 59.0° |
| C04 | C03 | C07 | H031 | 106.1° | 118.9° |
| C04 | C03 | C02 | H021 | 35.5° | 61.0° |
| C03 | C04 | H041 | H042 | 117.1° | 121.7° |
| C03 | C04 | C05 | H051 | 135.3° | 140.3° |
| C03 | C04 | C05 | H052 | 102.3° | 96.7° |
| C04 | C05 | C06 | H051 | 118.8° | 117.2° |
| C04 | C05 | C06 | H052 | 118.8° | 119.3° |
| C04 | C05 | C06 | C07 | 30.6° | 43.0° |
| C05 | C04 | C03 | C02 | 138.4° | 124.4° |
| C05 | C04 | C03 | C07 | 7.2° | 5.7° |
| C04 | C05 | C06 | C11 | 154.2° | 165.7° |
| C05 | C04 | C03 | H031 | 99.5° | 112.9° |
| C05 | C04 | H041 | H042 | 117.1° | 121.5° |
| C04 | C05 | H051 | H052 | 123.5° | 123.6° |
| C04 | C05 | C06 | H061 | 87.5° | 72.1° |
| C05 | C06 | C07 | C11 | 109.1° | 125.6° |
| C05 | C06 | C07 | H061 | 118.8° | 114.9° |
| C05 | C06 | C11 | C10 | 173.1° | 178.0° |
| C05 | C06 | C11 | C12 | 73.4° | 67.1° |
| C05 | C06 | C07 | C08 | 179.1° | 167.8° |
| C05 | C06 | C07 | C25 | 67.3° | 69.9° |
| C05 | C06 | C07 | C03 | 43.3° | 47.0° |
| C05 | C06 | C11 | H061 | 119.9° | 122.6° |
| C05 | C06 | C11 | H111 | 52.1° | 52.3° |
| C06 | C05 | C04 | H041 | 104.4° | 96.3° |
| C06 | C05 | C04 | H042 | 137.5° | 142.1° |
| C06 | C05 | H051 | H052 | 123.5° | 124.3° |
| C06 | C07 | C08 | C09 | 42.8° | 63.0° |
| C07 | C06 | C11 | C10 | 65.6° | 60.7° |
| C07 | C06 | C11 | C12 | 179.2° | 175.6° |
| C06 | C07 | C08 | C25 | 120.9° | 123.0° |
| C06 | C07 | C08 | C03 | 136.4° | 111.8° |
| C06 | C07 | C25 | C03 | 123.1° | 112.3° |
| C06 | C07 | C03 | C02 | 167.0° | 150.9° |
| C07 | C06 | C11 | H061 | 132.6° | 120.1° |
| C07 | C06 | C11 | H111 | 55.4° | 65.0° |
| C06 | C07 | C25 | H252 | 180.0° | 179.0° |
| C06 | C07 | C25 | H253 | 60.0° | 60.9° |
| C06 | C07 | C25 | H251 | 60.0° | 59.0° |
| C06 | C07 | C03 | H031 | 75.6° | 86.9° |
| C07 | C06 | C05 | H051 | 149.4° | 160.3° |
| C07 | C06 | C05 | H052 | 88.2° | 76.3° |
| C06 | C07 | C08 | H081 | 76.0° | 177.5° |
| C06 | C07 | C08 | H082 | 161.6° | 56.1° |
| C08 | C09 | C10 | H091 | 123.3° | 117.6° |
| C08 | C09 | C10 | H092 | 123.3° | 123.6° |
| C08 | C09 | C10 | C11 | 36.9° | 56.5° |
| C09 | C08 | C07 | H081 | 118.8° | 119.5° |
| C09 | C08 | C07 | H082 | 118.8° | 119.1° |
| C09 | C08 | C07 | C25 | 78.1° | 60.0° |
| C09 | C08 | C07 | C03 | 179.2° | 174.8° |
| C08 | C09 | C10 | C17 | 161.7° | 177.1° |
| C08 | C09 | C10 | H101 | 77.9° | 61.3° |
| C09 | C08 | H081 | H082 | 123.4° | 120.6° |
| C08 | C09 | H091 | H092 | 107.9° | 119.8° |
| C09 | C10 | C11 | C17 | 129.8° | 122.5° |
| C09 | C10 | C11 | H101 | 114.6° | 117.2° |
| C09 | C10 | C11 | C12 | 157.9° | 166.1° |
| C09 | C10 | C17 | C16 | 153.9° | 152.4° |
| C09 | C10 | C17 | C18 | 32.0° | 18.6° |
| C09 | C10 | C17 | C24 | 87.4° | 90.4° |
| C10 | C09 | C08 | C07 | 38.2° | 60.7° |
| C09 | C10 | C11 | C06 | 38.2° | 53.8° |
| C09 | C10 | C17 | H101 | 121.1° | 115.5° |
| C09 | C10 | C11 | H111 | 81.5° | 68.0° |
| C10 | C09 | C08 | H081 | 80.6° | 179.4° |
| C10 | C09 | C08 | H082 | 157.0° | 58.6° |
| C10 | C09 | H091 | H092 | 107.9° | 119.3° |
| C10 | C11 | C12 | C06 | 113.3° | 114.0° |
| C10 | C11 | C12 | H111 | 121.5° | 128.2° |
| C10 | C11 | C12 | O13 | 83.9° | 57.5° |
| C11 | C10 | C17 | C16 | 83.9° | 83.6° |
| C11 | C10 | C17 | C18 | 154.2° | 142.7° |
| C11 | C10 | C17 | C24 | 34.9° | 33.7° |
| C10 | C11 | C06 | H111 | 121.0° | 125.7° |
| C11 | C10 | C17 | H101 | 116.6° | 120.4° |
| C10 | C11 | C12 | H122 | 37.4° | 65.3° |
| C10 | C11 | C12 | H121 | 154.7° | 179.8° |
| C10 | C11 | C06 | H061 | 67.0° | 59.4° |
| C11 | C10 | C09 | H091 | 86.4° | 174.1° |
| C11 | C10 | C09 | H092 | 160.3° | 67.2° |
| C11 | C12 | O13 | H122 | 121.3° | 121.9° |
| C11 | C12 | O13 | H121 | 121.3° | 121.9° |
| C11 | C12 | O13 | C14 | 78.5° | 71.9° |
| C12 | C11 | C06 | H111 | 125.5° | 119.4° |
| C12 | C11 | C10 | C17 | 72.3° | 71.3° |
| C12 | C11 | C10 | H101 | 43.2° | 48.9° |
| C11 | C12 | H122 | H121 | 115.7° | 114.9° |
| C12 | C11 | C06 | H061 | 46.5° | 55.5° |
| C12 | O13 | C14 | O15 | 157.1° | 113.6° |
| C12 | O13 | C14 | C16 | 22.2° | 66.0° |
| O13 | C12 | C11 | C06 | 162.8° | 171.5° |
| O13 | C12 | C11 | H111 | 37.6° | 70.8° |
| O13 | C12 | H122 | H121 | 115.7° | 117.7° |
| O13 | C14 | O15 | C16 | 179.3° | 179.7° |
| O13 | C14 | C16 | C17 | 44.7° | 15.3° |
| O13 | C14 | C16 | C21 | 175.1° | 115.0° |
| C14 | O13 | C12 | H122 | 42.8° | 50.0° |
| C14 | O13 | C12 | H121 | 160.2° | 166.3° |
| O13 | C14 | C16 | H161 | 71.0° | 131.2° |
| O15 | C14 | C16 | C17 | 136.0° | 164.3° |
| O15 | C14 | C16 | C21 | 5.6° | 65.3° |
| O15 | C14 | C16 | H161 | 108.3° | 48.5° |
| C14 | C16 | C17 | C21 | 128.1° | 128.5° |
| C14 | C16 | C17 | H161 | 115.8° | 116.0° |
| C14 | C16 | C21 | C20 | 163.6° | 172.3° |
| C14 | C16 | C17 | C18 | 156.8° | 178.8° |
| C14 | C16 | C17 | C24 | 45.1° | 72.7° |
| C14 | C16 | C17 | C10 | 81.6° | 45.0° |
| C14 | C16 | C21 | H161 | 113.9° | 113.8° |
| C14 | C16 | C21 | H212 | 76.3° | 54.0° |
| C14 | C16 | C21 | H211 | 43.5° | 64.7° |
| C16 | C17 | C18 | C19 | 16.5° | 49.6° |
| C17 | C16 | C21 | C20 | 66.3° | 57.0° |
| C16 | C17 | C18 | C24 | 112.5° | 110.7° |
| C16 | C17 | C18 | C10 | 120.0° | 137.8° |
| C16 | C17 | C24 | C10 | 120.2° | 127.6° |
| C17 | C16 | C21 | H161 | 116.0° | 115.4° |
| C16 | C17 | C10 | H101 | 32.8° | 36.8° |
| C16 | C17 | C18 | H181 | 138.2° | 170.4° |
| C16 | C17 | C18 | H182 | 105.1° | 71.8° |
| C17 | C16 | C21 | H212 | 53.8° | 175.2° |
| C17 | C16 | C21 | H211 | 173.6° | 66.1° |
| C16 | C17 | C24 | H242 | 180.0° | 172.4° |
| C16 | C17 | C24 | H243 | 60.0° | 52.4° |
| C16 | C17 | C24 | H241 | 60.0° | 67.6° |
| C18 | C19 | C20 | C21 | 10.7° | 56.2° |
| C18 | C19 | C20 | O22 | 108.4° | 64.9° |
| C18 | C19 | C20 | O23 | 121.9° | 119.8° |
| C18 | C19 | C20 | H191 | 120.2° | 123.6° |
| C18 | C19 | O23 | H191 | 116.2° | 120.2° |
| C19 | C18 | C17 | H181 | 121.7° | 120.8° |
| C19 | C18 | C17 | H182 | 121.7° | 121.4° |
| C19 | C18 | C17 | C24 | 129.0° | 61.1° |
| C19 | C18 | C17 | C10 | 103.4° | 172.6° |
| C19 | C18 | H181 | H182 | 114.5° | 118.8° |
| C18 | C19 | C20 | H201 | 130.1° | 175.8° |
| C18 | C19 | O23 | H231 | 180.0° | 180.0° |
| C21 | C20 | O22 | C19 | 120.9° | 121.3° |
| C21 | C20 | O22 | H201 | 119.0° | 119.4° |
| C21 | C20 | C19 | H201 | 119.4° | 119.6° |
| C21 | C20 | C19 | O23 | 132.6° | 176.0° |
| C20 | C21 | C16 | H212 | 120.1° | 118.2° |
| C20 | C21 | C16 | H211 | 120.1° | 123.1° |
| C20 | C21 | C16 | H161 | 49.7° | 58.5° |
| C21 | C20 | C19 | H191 | 109.5° | 67.4° |
| C20 | C21 | H212 | H211 | 119.7° | 119.9° |
| C21 | C20 | O22 | H221 | 180.0° | 178.7° |
| O22 | C20 | C19 | H201 | 121.5° | 119.3° |
| O22 | C20 | C19 | O23 | 13.5° | 54.9° |
| O22 | C20 | C21 | C16 | 66.3° | 63.8° |
| O22 | C20 | C19 | H191 | 131.4° | 171.5° |
| O22 | C20 | C21 | H212 | 173.6° | 54.5° |
| O22 | C20 | C21 | H211 | 53.8° | 172.4° |
| C20 | C19 | O23 | H191 | 116.5° | 118.0° |
| C20 | C19 | C18 | C17 | 25.9° | 52.2° |
| C19 | C20 | C21 | C16 | 54.0° | 57.3° |
| C20 | C19 | C18 | H181 | 147.6° | 173.2° |
| C20 | C19 | C18 | H182 | 95.7° | 68.7° |
| C19 | C20 | C21 | H212 | 66.1° | 175.5° |
| C19 | C20 | C21 | H211 | 174.1° | 66.5° |
| C19 | C20 | O22 | H221 | 59.1° | 60.0° |
| C20 | C19 | O23 | H231 | 52.7° | 58.2° |
| O23 | C19 | C18 | C17 | 96.5° | 171.7° |
| O23 | C19 | C18 | H181 | 25.2° | 67.3° |
| O23 | C19 | C18 | H182 | 141.9° | 50.8° |
| O23 | C19 | C20 | H201 | 108.0° | 64.3° |
| C18 | C17 | C24 | C10 | 122.9° | 116.4° |
| C18 | C17 | C16 | C21 | 28.6° | 52.7° |
| C18 | C17 | C10 | H101 | 89.1° | 96.9° |
| C18 | C17 | C16 | H161 | 87.4° | 62.8° |
| C17 | C18 | H181 | H182 | 114.6° | 117.9° |
| C17 | C18 | C19 | H191 | 146.1° | 70.5° |
| C18 | C17 | C24 | H242 | 63.2° | 56.4° |
| C18 | C17 | C24 | H243 | 56.8° | 63.7° |
| C18 | C17 | C24 | H241 | 176.8° | 176.4° |
| C24 | C17 | C16 | C21 | 83.0° | 55.8° |
| C24 | C17 | C10 | H101 | 151.5° | 154.1° |
| C24 | C17 | C16 | H161 | 161.0° | 171.4° |
| C24 | C17 | C18 | H181 | 109.3° | 59.8° |
| C24 | C17 | C18 | H182 | 7.3° | 177.6° |
| C17 | C24 | H242 | H243 | 120.0° | 120.0° |
| C17 | C24 | H242 | H241 | 120.0° | 120.0° |
| C17 | C24 | H243 | H241 | 120.0° | 120.0° |
| C08 | C07 | C25 | C03 | 121.2° | 128.3° |
| C08 | C07 | C03 | C02 | 60.4° | 94.7° |
| C08 | C07 | C06 | C11 | 69.9° | 66.6° |
| C08 | C07 | C25 | H252 | 64.2° | 61.6° |
| C08 | C07 | C25 | H253 | 55.8° | 58.5° |
| C08 | C07 | C25 | H251 | 175.8° | 178.4° |
| C08 | C07 | C03 | H031 | 57.0° | 27.6° |
| C08 | C07 | C06 | H061 | 62.1° | 52.9° |
| C07 | C08 | H081 | H082 | 123.3° | 121.5° |
| C07 | C08 | C09 | H091 | 85.1° | 178.6° |
| C07 | C08 | C09 | H092 | 161.5° | 62.5° |
| C25 | C07 | C03 | C02 | 45.5° | 31.7° |
| C25 | C07 | C06 | C11 | 41.8° | 55.7° |
| C07 | C25 | H252 | H253 | 120.0° | 120.0° |
| C07 | C25 | H252 | H251 | 120.0° | 120.0° |
| C07 | C25 | H253 | H251 | 120.0° | 120.0° |
| C25 | C07 | C03 | H031 | 162.9° | 153.9° |
| C25 | C07 | C06 | H061 | 173.9° | 175.3° |
| C25 | C07 | C08 | H081 | 163.1° | 59.5° |
| C25 | C07 | C08 | H082 | 40.8° | 179.1° |
| C03 | C02 | C26 | H021 | 104.8° | 120.0° |
| C03 | C02 | C26 | C27 | 147.5° | 174.2° |
| C03 | C02 | C26 | O34 | 88.2° | 65.8° |
| C02 | C03 | C07 | H031 | 117.4° | 122.2° |
| C03 | C02 | C26 | H261 | 29.5° | 54.2° |
| C03 | C02 | C01 | H012 | 180.0° | 51.3° |
| C03 | C02 | C01 | H013 | 60.0° | 171.3° |
| C03 | C02 | C01 | H011 | 60.0° | 68.8° |
| C02 | C03 | C04 | H041 | 100.6° | 116.4° |
| C02 | C03 | C04 | H042 | 17.5° | 5.4° |
| C02 | C26 | C27 | C28 | 129.2° | 176.5° |
| C02 | C26 | C27 | O33 | 112.3° | 63.5° |
| C02 | C26 | C27 | O34 | 112.1° | 120.0° |
| C02 | C26 | C27 | H261 | 118.6° | 120.0° |
| C02 | C26 | O34 | H261 | 116.6° | 120.0° |
| C26 | C02 | C03 | C07 | 170.3° | 174.6° |
| C02 | C26 | C27 | H271 | 10.1° | 56.5° |
| C26 | C02 | C01 | H012 | 47.5° | 171.3° |
| C26 | C02 | C01 | H013 | 72.5° | 68.7° |
| C26 | C02 | C01 | H011 | 167.5° | 51.2° |
| C26 | C02 | C03 | H031 | 52.1° | 63.5° |
| C02 | C26 | O34 | H341 | 180.0° | 60.1° |
| C29 | C28 | C30 | C27 | 123.1° | 120.0° |
| C29 | C28 | C30 | H281 | 118.4° | 120.1° |
| C29 | C28 | C30 | C31 | 44.8° | 55.7° |
| C29 | C28 | C30 | C32 | 80.5° | 64.3° |
| C29 | C28 | C27 | H281 | 117.7° | 120.0° |
| C29 | C28 | C27 | O33 | 169.3° | 173.6° |
| C29 | C28 | C27 | C26 | 73.9° | 66.4° |
| C29 | C28 | C27 | H271 | 45.1° | 53.6° |
| C28 | C29 | H293 | H291 | 120.0° | 120.0° |
| C28 | C29 | H293 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 120.0° | 119.9° |
| C29 | C28 | C30 | H301 | 161.9° | 175.8° |
| C28 | C30 | C31 | C32 | 125.5° | 120.0° |
| C28 | C30 | C31 | H301 | 117.0° | 120.0° |
| C28 | C30 | C32 | H301 | 117.5° | 120.0° |
| C30 | C28 | C27 | H281 | 118.3° | 120.0° |
| C30 | C28 | C27 | O33 | 45.4° | 53.7° |
| C30 | C28 | C27 | C26 | 162.2° | 173.6° |
| C30 | C28 | C27 | H271 | 78.8° | 66.4° |
| C30 | C28 | C29 | H293 | 180.0° | 60.0° |
| C30 | C28 | C29 | H291 | 60.0° | 180.0° |
| C30 | C28 | C29 | H292 | 60.0° | 60.1° |
| C28 | C30 | C31 | H312 | 180.0° | 60.1° |
| C28 | C30 | C31 | H313 | 60.0° | 59.9° |
| C28 | C30 | C31 | H311 | 60.0° | 180.0° |
| C28 | C30 | C32 | H321 | 180.0° | 62.4° |
| C28 | C30 | C32 | H323 | 60.0° | 177.6° |
| C28 | C30 | C32 | H322 | 60.0° | 57.6° |
| C31 | C30 | C32 | H301 | 117.5° | 120.0° |
| C31 | C30 | C28 | C27 | 167.9° | 64.2° |
| C31 | C30 | C28 | H281 | 73.6° | 175.8° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C30 | C31 | H312 | H311 | 120.0° | 119.9° |
| C30 | C31 | H313 | H311 | 120.0° | 120.0° |
| C31 | C30 | C32 | H321 | 55.0° | 177.6° |
| C31 | C30 | C32 | H323 | 175.0° | 57.6° |
| C31 | C30 | C32 | H322 | 65.0° | 62.4° |
| C32 | C30 | C28 | C27 | 42.6° | 175.8° |
| C32 | C30 | C28 | H281 | 161.2° | 55.8° |
| C32 | C30 | C31 | H312 | 54.5° | 180.0° |
| C32 | C30 | C31 | H313 | 65.5° | 60.1° |
| C32 | C30 | C31 | H311 | 174.5° | 60.0° |
| C30 | C32 | H321 | H323 | 120.0° | 120.1° |
| C30 | C32 | H321 | H322 | 120.0° | 120.0° |
| C30 | C32 | H323 | H322 | 120.0° | 120.1° |
| C28 | C27 | O33 | C26 | 115.8° | 120.0° |
| C28 | C27 | O33 | H271 | 123.1° | 120.0° |
| C28 | C27 | C26 | H271 | 119.1° | 120.0° |
| C28 | C27 | C26 | O34 | 118.7° | 63.4° |
| C28 | C27 | C26 | H261 | 10.5° | 56.5° |
| C27 | C28 | C29 | H293 | 56.0° | 60.0° |
| C27 | C28 | C29 | H291 | 176.0° | 60.1° |
| C27 | C28 | C29 | H292 | 64.0° | 180.0° |
| C27 | C28 | C30 | H301 | 75.0° | 55.8° |
| C28 | C27 | O33 | H331 | 180.0° | 60.0° |
| O33 | C27 | C26 | H271 | 122.4° | 120.0° |
| O33 | C27 | C26 | O34 | 0.2° | 56.6° |
| O33 | C27 | C26 | H261 | 129.1° | 176.5° |
| O33 | C27 | C28 | H281 | 73.0° | 66.3° |
| C27 | C26 | O34 | H261 | 128.1° | 119.9° |
| C26 | C27 | C28 | H281 | 43.9° | 53.6° |
| C27 | C26 | C02 | H021 | 42.8° | 54.2° |
| C26 | C27 | O33 | H331 | 64.2° | 60.0° |
| C27 | C26 | O34 | H341 | 64.7° | 60.0° |
| O34 | C26 | C27 | H271 | 122.2° | 176.5° |
| O34 | C26 | C02 | H021 | 167.1° | 174.2° |
| C03 | C07 | C06 | C11 | 152.5° | 172.6° |
| C03 | C07 | C25 | H252 | 56.9° | 66.8° |
| C03 | C07 | C25 | H253 | 177.0° | 173.2° |
| C03 | C07 | C25 | H251 | 63.1° | 53.2° |
| C07 | C03 | C02 | H021 | 83.8° | 54.6° |
| C07 | C03 | C04 | H041 | 128.1° | 124.9° |
| C07 | C03 | C04 | H042 | 113.8° | 113.3° |
| C03 | C07 | C06 | H061 | 75.5° | 67.9° |
| C03 | C07 | C08 | H081 | 60.4° | 65.8° |
| C03 | C07 | C08 | H082 | 61.9° | 55.7° |
| C06 | C11 | C10 | C17 | 168.1° | 176.3° |
| C06 | C11 | C10 | H101 | 76.4° | 63.5° |
| C06 | C11 | C12 | H122 | 75.8° | 48.7° |
| C06 | C11 | C12 | H121 | 41.5° | 65.7° |
| C11 | C06 | C05 | H051 | 87.0° | 77.1° |
| C11 | C06 | C05 | H052 | 35.4° | 46.3° |
| C10 | C17 | C16 | C21 | 150.3° | 173.5° |
| C17 | C10 | C11 | H111 | 48.3° | 54.6° |
| C17 | C10 | C09 | H091 | 38.4° | 59.5° |
| C17 | C10 | C09 | H092 | 74.9° | 59.2° |
| C10 | C17 | C16 | H161 | 34.3° | 71.0° |
| C10 | C17 | C18 | H181 | 18.3° | 51.7° |
| C10 | C17 | C18 | H182 | 134.9° | 66.1° |
| C10 | C17 | C24 | H242 | 59.8° | 60.0° |
| C10 | C17 | C24 | H243 | 179.8° | 180.0° |
| C10 | C17 | C24 | H241 | 60.2° | 60.0° |
| C16 | C21 | C20 | H201 | 173.3° | 176.8° |
| C16 | C21 | H212 | H211 | 119.7° | 121.4° |
| H101 | C10 | C11 | H111 | 163.9° | 174.8° |
| H101 | C10 | C09 | H091 | 158.8° | 56.4° |
| H101 | C10 | C09 | H092 | 45.5° | 175.1° |
| H111 | C11 | C12 | H122 | 158.9° | 166.5° |
| H111 | C11 | C12 | H121 | 83.7° | 52.0° |
| H111 | C11 | C06 | H061 | 172.0° | 174.8° |
| H252 | C25 | H253 | H251 | 120.0° | 120.0° |
| H261 | C26 | C27 | H271 | 108.6° | 63.5° |
| H261 | C26 | C02 | H021 | 75.3° | 65.8° |
| H261 | C26 | O34 | H341 | 63.4° | 179.9° |
| H271 | C27 | C28 | H281 | 162.8° | 173.6° |
| H271 | C27 | O33 | H331 | 56.9° | 180.0° |
| H281 | C28 | C29 | H293 | 61.8° | 180.0° |
| H281 | C28 | C29 | H291 | 58.2° | 59.9° |
| H281 | C28 | C29 | H292 | 178.2° | 60.0° |
| H281 | C28 | C30 | H301 | 43.5° | 64.2° |
| H293 | C29 | H291 | H292 | 120.0° | 120.0° |
| H301 | C30 | C31 | H312 | 63.0° | 59.9° |
| H301 | C30 | C31 | H313 | 177.0° | 179.9° |
| H301 | C30 | C31 | H311 | 57.0° | 60.0° |
| H301 | C30 | C32 | H321 | 62.5° | 57.6° |
| H301 | C30 | C32 | H323 | 57.5° | 62.5° |
| H301 | C30 | C32 | H322 | 177.6° | 177.5° |
| H312 | C31 | H313 | H311 | 120.0° | 120.0° |
| H321 | C32 | H323 | H322 | 119.9° | 119.9° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 63.0° | 68.7° |
| H013 | C01 | C02 | H021 | 177.0° | 51.3° |
| H011 | C01 | C02 | H021 | 57.0° | 171.3° |
| H021 | C02 | C03 | H031 | 158.0° | 176.5° |
| H031 | C03 | C04 | H041 | 21.4° | 6.3° |
| H031 | C03 | C04 | H042 | 139.6° | 128.1° |
| H041 | C04 | C05 | H051 | 14.4° | 21.1° |
| H041 | C04 | C05 | H052 | 136.8° | 144.0° |
| H042 | C04 | C05 | H051 | 103.8° | 100.5° |
| H042 | C04 | C05 | H052 | 18.7° | 22.4° |
| H051 | C05 | C06 | H061 | 31.3° | 45.1° |
| H052 | C05 | C06 | H061 | 153.7° | 168.5° |
| H081 | C08 | C09 | H091 | 156.0° | 61.4° |
| H081 | C08 | C09 | H092 | 42.7° | 57.4° |
| H082 | C08 | C09 | H091 | 33.7° | 59.3° |
| H082 | C08 | C09 | H092 | 79.6° | 178.2° |
| H161 | C16 | C21 | H212 | 169.8° | 59.8° |
| H161 | C16 | C21 | H211 | 70.4° | 178.5° |
| H181 | C18 | C19 | H191 | 92.3° | 50.5° |
| H182 | C18 | C19 | H191 | 24.4° | 168.6° |
| H191 | C19 | C20 | H201 | 9.8° | 52.2° |
| H191 | C19 | O23 | H231 | 63.8° | 59.8° |
| H201 | C20 | C21 | H212 | 53.2° | 64.9° |
| H201 | C20 | C21 | H211 | 66.7° | 53.1° |
| H201 | C20 | O22 | H221 | 61.0° | 59.3° |
| H242 | C24 | H243 | H241 | 120.0° | 120.1° |
