0J1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C45 | C44 | sing | 1.53Å | 1.53Å | |
| O11 | C10 | doub | 1.21Å | 1.18Å | |
| C10 | O12 | sing | 1.34Å | 1.42Å | |
| C44 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| O12 | C13 | sing | 1.45Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C39 | C37 | sing | 1.51Å | 1.55Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C14 | O36 | sing | 1.45Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| O36 | C37 | sing | 1.34Å | 1.42Å | |
| C37 | O38 | doub | 1.21Å | 1.19Å | |
| C15 | O16 | sing | 1.43Å | 1.40Å | |
| O16 | P17 | sing | 1.61Å | 1.66Å | |
| O18 | P17 | doub | 1.48Å | 1.50Å | |
| P17 | O19 | sing | 1.61Å | 1.50Å | |
| P17 | O20 | sing | 1.61Å | 1.66Å | |
| O20 | C21 | sing | 1.43Å | 1.42Å | |
| C22 | O23 | sing | 1.43Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| O25 | C24 | sing | 1.43Å | 1.40Å | |
| C21 | C34 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | O27 | sing | 1.43Å | 1.40Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| O35 | C34 | sing | 1.43Å | 1.39Å | |
| C34 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O29 | sing | 1.43Å | 1.39Å | |
| O29 | P30 | sing | 1.61Å | 1.64Å | |
| O33 | P30 | doub | 1.48Å | 1.51Å | |
| P30 | O32 | sing | 1.61Å | 1.51Å | |
| P30 | O31 | sing | 1.61Å | 1.51Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | 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 | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | 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 | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H2 | sing | 1.09Å | 1.10Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O31 | H4 | sing | 0.97Å | 0.95Å | |
| O32 | H5 | sing | 0.97Å | 0.95Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 112.4° | 109.5° |
| C03 | C02 | H021 | 109.5° | 109.5° |
| C03 | C02 | H022 | 109.5° | 109.5° |
| C03 | C02 | H1 | 109.5° | 109.5° |
| C02 | C03 | H032 | 108.8° | 109.5° |
| C02 | C03 | H031 | 108.7° | 109.5° |
| C03 | C04 | C05 | 112.4° | 109.5° |
| C04 | C03 | H032 | 108.7° | 109.5° |
| C04 | C03 | H031 | 108.7° | 109.4° |
| C03 | C04 | H042 | 108.7° | 109.5° |
| C03 | C04 | H041 | 108.7° | 109.4° |
| C04 | C05 | C06 | 112.1° | 109.5° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C04 | C05 | H051 | 108.8° | 109.5° |
| C04 | C05 | H052 | 108.8° | 109.5° |
| C05 | C06 | C07 | 112.3° | 109.5° |
| C06 | C05 | H051 | 108.8° | 109.5° |
| C06 | C05 | H052 | 108.8° | 109.5° |
| C05 | C06 | H061 | 108.7° | 109.5° |
| C05 | C06 | H062 | 108.7° | 109.5° |
| C06 | C07 | C08 | 112.0° | 109.5° |
| C07 | C06 | H061 | 108.8° | 109.5° |
| C07 | C06 | H062 | 108.7° | 109.5° |
| C06 | C07 | H071 | 108.8° | 109.5° |
| C06 | C07 | H072 | 108.8° | 109.5° |
| C07 | C08 | C09 | 112.1° | 109.5° |
| C08 | C07 | H071 | 108.9° | 109.4° |
| C08 | C07 | H072 | 108.9° | 109.4° |
| C07 | C08 | H081 | 108.8° | 109.4° |
| C07 | C08 | H082 | 108.8° | 109.4° |
| C08 | C09 | C10 | 113.6° | 109.4° |
| C09 | C08 | H081 | 108.8° | 109.5° |
| C09 | C08 | H082 | 108.8° | 109.5° |
| C08 | C09 | H092 | 108.4° | 109.5° |
| C08 | C09 | H091 | 108.4° | 109.5° |
| C46 | C45 | C44 | 111.9° | 109.5° |
| C46 | C45 | H452 | 108.9° | 109.5° |
| C46 | C45 | H451 | 108.9° | 109.5° |
| C45 | C46 | H462 | 109.5° | 109.4° |
| C45 | C46 | H461 | 109.5° | 109.4° |
| C45 | C46 | H2 | 109.5° | 109.5° |
| C09 | C10 | O11 | 119.9° | 120.0° |
| C09 | C10 | O12 | 120.1° | 120.0° |
| C10 | C09 | H092 | 108.4° | 109.5° |
| C10 | C09 | H091 | 108.4° | 109.5° |
| C45 | C44 | C43 | 111.6° | 109.5° |
| C45 | C44 | H442 | 108.9° | 109.5° |
| C45 | C44 | H441 | 108.9° | 109.4° |
| C44 | C45 | H452 | 108.8° | 109.5° |
| C44 | C45 | H451 | 108.8° | 109.4° |
| O11 | C10 | O12 | 120.0° | 120.0° |
| C10 | O12 | C13 | 114.1° | 117.0° |
| C44 | C43 | C42 | 112.5° | 109.5° |
| C44 | C43 | H432 | 108.7° | 109.5° |
| C44 | C43 | H431 | 108.7° | 109.5° |
| C43 | C44 | H442 | 108.9° | 109.4° |
| C43 | C44 | H441 | 108.9° | 109.5° |
| C43 | C42 | C41 | 112.1° | 109.5° |
| C43 | C42 | H422 | 108.8° | 109.5° |
| C43 | C42 | H421 | 108.8° | 109.5° |
| C42 | C43 | H432 | 108.7° | 109.5° |
| C42 | C43 | H431 | 108.7° | 109.4° |
| O12 | C13 | C14 | 107.2° | 109.5° |
| O12 | C13 | H131 | 110.0° | 109.4° |
| O12 | C13 | H132 | 110.0° | 109.5° |
| C13 | C14 | O36 | 109.7° | 109.4° |
| C13 | C14 | C15 | 112.1° | 109.5° |
| C14 | C13 | H131 | 110.0° | 109.4° |
| C14 | C13 | H132 | 110.1° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| C40 | C39 | C37 | 112.1° | 109.5° |
| C39 | C40 | C41 | 112.0° | 109.5° |
| C40 | C39 | H392 | 108.8° | 109.5° |
| C40 | C39 | H391 | 108.8° | 109.4° |
| C39 | C40 | H402 | 108.8° | 109.5° |
| C39 | C40 | H401 | 108.8° | 109.5° |
| C39 | C37 | O36 | 120.3° | 120.0° |
| C39 | C37 | O38 | 119.8° | 120.0° |
| C37 | C39 | H392 | 108.8° | 109.5° |
| C37 | C39 | H391 | 108.8° | 109.5° |
| C40 | C41 | C42 | 112.9° | 109.5° |
| C41 | C40 | H402 | 108.8° | 109.4° |
| C41 | C40 | H401 | 108.9° | 109.4° |
| C40 | C41 | H411 | 108.6° | 109.5° |
| C40 | C41 | H412 | 108.6° | 109.4° |
| C42 | C41 | H411 | 108.6° | 109.5° |
| C42 | C41 | H412 | 108.6° | 109.5° |
| C41 | C42 | H422 | 108.8° | 109.5° |
| C41 | C42 | H421 | 108.8° | 109.4° |
| O36 | C14 | C15 | 109.0° | 109.5° |
| C14 | O36 | C37 | 116.1° | 117.0° |
| O36 | C14 | H141 | 109.8° | 109.5° |
| C14 | C15 | O16 | 107.6° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| C14 | C15 | H151 | 109.9° | 109.5° |
| C14 | C15 | H152 | 109.9° | 109.5° |
| O36 | C37 | O38 | 119.9° | 120.0° |
| C15 | O16 | P17 | 119.6° | 123.0° |
| O16 | C15 | H151 | 109.9° | 109.5° |
| O16 | C15 | H152 | 110.0° | 109.5° |
| O16 | P17 | O18 | 109.5° | 109.5° |
| O16 | P17 | O19 | 109.5° | 109.5° |
| O16 | P17 | O20 | 108.9° | 109.4° |
| O18 | P17 | O19 | 108.8° | 109.5° |
| O18 | P17 | O20 | 108.9° | 109.5° |
| O19 | P17 | O20 | 111.2° | 109.5° |
| P17 | O19 | H3 | 109.5° | 114.0° |
| P17 | O20 | C21 | 120.2° | 123.0° |
| O20 | C21 | C22 | 106.8° | 109.5° |
| O20 | C21 | C34 | 107.1° | 109.5° |
| O20 | C21 | H211 | 109.3° | 109.5° |
| O23 | C22 | C21 | 107.8° | 109.4° |
| O23 | C22 | C24 | 108.2° | 109.5° |
| O23 | C22 | H221 | 109.8° | 109.5° |
| C22 | O23 | H231 | 109.5° | 113.9° |
| C21 | C22 | C24 | 114.8° | 109.5° |
| C22 | C21 | C34 | 117.9° | 109.5° |
| C22 | C21 | H211 | 107.8° | 109.5° |
| C21 | C22 | H221 | 108.0° | 109.4° |
| C22 | C24 | O25 | 109.2° | 109.5° |
| C22 | C24 | C26 | 110.6° | 109.5° |
| C24 | C22 | H221 | 108.2° | 109.5° |
| C22 | C24 | H241 | 108.8° | 109.5° |
| O25 | C24 | C26 | 108.9° | 109.5° |
| O25 | C24 | H241 | 110.5° | 109.5° |
| C24 | O25 | H251 | 109.5° | 114.0° |
| C21 | C34 | O35 | 107.3° | 109.4° |
| C21 | C34 | C28 | 118.0° | 109.5° |
| C34 | C21 | H211 | 107.8° | 109.4° |
| C21 | C34 | H341 | 107.3° | 109.4° |
| C24 | C26 | O27 | 108.7° | 109.5° |
| C24 | C26 | C28 | 110.2° | 109.5° |
| C26 | C24 | H241 | 108.9° | 109.5° |
| C24 | C26 | H261 | 109.0° | 109.5° |
| O27 | C26 | C28 | 109.4° | 109.4° |
| O27 | C26 | H261 | 110.6° | 109.5° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C28 | C34 | 114.4° | 109.5° |
| C26 | C28 | O29 | 108.6° | 109.5° |
| C28 | C26 | H261 | 108.9° | 109.4° |
| C26 | C28 | H281 | 108.1° | 109.4° |
| O35 | C34 | C28 | 107.4° | 109.5° |
| O35 | C34 | H341 | 109.2° | 109.5° |
| C34 | O35 | H351 | 109.5° | 114.0° |
| C34 | C28 | O29 | 107.7° | 109.5° |
| C34 | C28 | H281 | 108.1° | 109.5° |
| C28 | C34 | H341 | 107.4° | 109.5° |
| C28 | O29 | P30 | 118.7° | 123.0° |
| O29 | C28 | H281 | 109.9° | 109.5° |
| O29 | P30 | O33 | 109.3° | 109.4° |
| O29 | P30 | O32 | 109.4° | 109.5° |
| O29 | P30 | O31 | 109.7° | 109.5° |
| O33 | P30 | O32 | 109.6° | 109.5° |
| O33 | P30 | O31 | 109.2° | 109.5° |
| O32 | P30 | O31 | 109.6° | 109.5° |
| P30 | O32 | H5 | 109.5° | 114.0° |
| P30 | O31 | H4 | 109.5° | 114.0° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H021 | C02 | H1 | 109.5° | 109.5° |
| H022 | C02 | H1 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H462 | C46 | H2 | 109.5° | 109.5° |
| H461 | C46 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H032 | 120.5° | 120.0° |
| C02 | C03 | C04 | H031 | 120.4° | 120.0° |
| C02 | C03 | C04 | C05 | 141.8° | 180.0° |
| C03 | C02 | H021 | H022 | 120.0° | 120.0° |
| C03 | C02 | H021 | H1 | 120.0° | 120.0° |
| C03 | C02 | H022 | H1 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 118.7° | 120.1° |
| C02 | C03 | C04 | H042 | 21.3° | 59.9° |
| C02 | C03 | C04 | H041 | 97.8° | 60.0° |
| C03 | C04 | C05 | H042 | 120.4° | 120.1° |
| C03 | C04 | C05 | H041 | 120.4° | 119.9° |
| C03 | C04 | C05 | C06 | 165.4° | 180.0° |
| C04 | C03 | C02 | H021 | 180.0° | 180.0° |
| C04 | C03 | C02 | H022 | 60.0° | 60.0° |
| C04 | C03 | C02 | H1 | 60.0° | 60.0° |
| C04 | C03 | H032 | H031 | 118.6° | 119.9° |
| C03 | C04 | H042 | H041 | 118.7° | 119.9° |
| C03 | C04 | C05 | H051 | 45.0° | 59.9° |
| C03 | C04 | C05 | H052 | 74.2° | 60.0° |
| C04 | C05 | C06 | H051 | 120.4° | 120.1° |
| C04 | C05 | C06 | H052 | 120.4° | 120.0° |
| C04 | C05 | C06 | C07 | 178.1° | 180.0° |
| C05 | C04 | C03 | H032 | 97.8° | 60.0° |
| C05 | C04 | C03 | H031 | 21.3° | 60.0° |
| C05 | C04 | H042 | H041 | 118.7° | 120.0° |
| C04 | C05 | H051 | H052 | 118.8° | 120.0° |
| C04 | C05 | C06 | H061 | 61.5° | 60.0° |
| C04 | C05 | C06 | H062 | 57.7° | 60.1° |
| C05 | C06 | C07 | H061 | 120.4° | 120.0° |
| C05 | C06 | C07 | H062 | 120.4° | 120.0° |
| C05 | C06 | C07 | C08 | 173.2° | 180.0° |
| C06 | C05 | C04 | H042 | 74.2° | 60.0° |
| C06 | C05 | C04 | H041 | 45.0° | 60.0° |
| C06 | C05 | H051 | H052 | 118.8° | 120.0° |
| C05 | C06 | H061 | H062 | 118.7° | 120.0° |
| C05 | C06 | C07 | H071 | 66.4° | 60.0° |
| C05 | C06 | C07 | H072 | 52.8° | 60.0° |
| C06 | C07 | C08 | H071 | 120.4° | 120.0° |
| C06 | C07 | C08 | H072 | 120.4° | 120.0° |
| C06 | C07 | C08 | C09 | 127.6° | 180.0° |
| C07 | C06 | C05 | H051 | 57.7° | 60.0° |
| C07 | C06 | C05 | H052 | 61.5° | 60.0° |
| C07 | C06 | H061 | H062 | 118.7° | 120.0° |
| C06 | C07 | H071 | H072 | 118.8° | 120.1° |
| C06 | C07 | C08 | H081 | 112.0° | 60.0° |
| C06 | C07 | C08 | H082 | 7.2° | 60.0° |
| C07 | C08 | C09 | H081 | 120.4° | 120.0° |
| C07 | C08 | C09 | H082 | 120.4° | 119.9° |
| C07 | C08 | C09 | C10 | 72.5° | 180.0° |
| C08 | C07 | C06 | H061 | 52.8° | 60.0° |
| C08 | C07 | C06 | H062 | 66.4° | 60.0° |
| C08 | C07 | H071 | H072 | 118.9° | 119.9° |
| C07 | C08 | H081 | H082 | 118.8° | 119.9° |
| C07 | C08 | C09 | H092 | 166.9° | 60.0° |
| C07 | C08 | C09 | H091 | 48.1° | 60.0° |
| C08 | C09 | C10 | H092 | 120.6° | 120.0° |
| C08 | C09 | C10 | H091 | 120.6° | 120.0° |
| C08 | C09 | C10 | O11 | 79.4° | 0.0° |
| C08 | C09 | C10 | O12 | 101.6° | 180.0° |
| C09 | C08 | C07 | H071 | 7.2° | 60.0° |
| C09 | C08 | C07 | H072 | 112.0° | 60.0° |
| C09 | C08 | H081 | H082 | 118.8° | 120.1° |
| C08 | C09 | H092 | H091 | 118.1° | 120.0° |
| C46 | C45 | C44 | H452 | 120.4° | 120.0° |
| C46 | C45 | C44 | H451 | 120.4° | 120.0° |
| C46 | C45 | C44 | C43 | 104.0° | 180.0° |
| C46 | C45 | C44 | H442 | 135.6° | 60.0° |
| C46 | C45 | C44 | H441 | 16.3° | 60.0° |
| C46 | C45 | H452 | H451 | 118.9° | 120.0° |
| C45 | C46 | H462 | H461 | 120.0° | 120.0° |
| C45 | C46 | H462 | H2 | 120.0° | 120.0° |
| C45 | C46 | H461 | H2 | 120.0° | 120.0° |
| C09 | C10 | O11 | O12 | 179.0° | 180.0° |
| C09 | C10 | O12 | C13 | 60.1° | 180.0° |
| C10 | C09 | C08 | H081 | 47.8° | 60.0° |
| C10 | C09 | C08 | H082 | 167.1° | 60.0° |
| C10 | C09 | H092 | H091 | 118.1° | 120.0° |
| C45 | C44 | C43 | H442 | 120.3° | 120.0° |
| C45 | C44 | C43 | H441 | 120.3° | 120.0° |
| C45 | C44 | C43 | C42 | 164.5° | 180.0° |
| C45 | C44 | C43 | H432 | 44.0° | 60.0° |
| C45 | C44 | C43 | H431 | 75.1° | 60.0° |
| C45 | C44 | H442 | H441 | 119.0° | 120.0° |
| C44 | C45 | H452 | H451 | 118.9° | 120.0° |
| C44 | C45 | C46 | H462 | 180.0° | 180.0° |
| C44 | C45 | C46 | H461 | 60.0° | 60.0° |
| C44 | C45 | C46 | H2 | 60.0° | 60.0° |
| O11 | C10 | O12 | C13 | 120.9° | 0.0° |
| O11 | C10 | C09 | H092 | 160.1° | 120.0° |
| O11 | C10 | C09 | H091 | 41.2° | 120.0° |
| C10 | O12 | C13 | C14 | 146.0° | 180.0° |
| O12 | C10 | C09 | H092 | 19.0° | 60.0° |
| O12 | C10 | C09 | H091 | 137.8° | 60.0° |
| C10 | O12 | C13 | H131 | 26.3° | 60.0° |
| C10 | O12 | C13 | H132 | 94.4° | 60.0° |
| C44 | C43 | C42 | H432 | 120.5° | 120.0° |
| C44 | C43 | C42 | H431 | 120.5° | 120.0° |
| C44 | C43 | C42 | C41 | 75.4° | 180.0° |
| C44 | C43 | C42 | H422 | 164.2° | 60.0° |
| C44 | C43 | C42 | H421 | 45.0° | 60.0° |
| C44 | C43 | H432 | H431 | 118.6° | 120.0° |
| C43 | C44 | H442 | H441 | 119.0° | 120.0° |
| C43 | C44 | C45 | H452 | 16.3° | 60.0° |
| C43 | C44 | C45 | H451 | 135.6° | 60.0° |
| C43 | C42 | C41 | C40 | 107.4° | 180.0° |
| C43 | C42 | C41 | H422 | 120.4° | 120.0° |
| C43 | C42 | C41 | H421 | 120.4° | 120.0° |
| C43 | C42 | C41 | H411 | 13.2° | 60.0° |
| C43 | C42 | C41 | H412 | 132.1° | 60.0° |
| C43 | C42 | H422 | H421 | 118.8° | 120.0° |
| C42 | C43 | H432 | H431 | 118.6° | 120.0° |
| C42 | C43 | C44 | H442 | 75.2° | 60.0° |
| C42 | C43 | C44 | H441 | 44.1° | 60.0° |
| O12 | C13 | C14 | H131 | 119.6° | 120.0° |
| O12 | C13 | C14 | H132 | 119.7° | 120.0° |
| O12 | C13 | C14 | O36 | 178.4° | 65.0° |
| O12 | C13 | C14 | C15 | 60.4° | 175.0° |
| O12 | C13 | H131 | H132 | 121.0° | 120.0° |
| O12 | C13 | C14 | H141 | 58.6° | 55.0° |
| C13 | C14 | O36 | C15 | 123.1° | 120.0° |
| C13 | C14 | O36 | H141 | 118.7° | 120.0° |
| C13 | C14 | C15 | H141 | 119.1° | 120.1° |
| C13 | C14 | O36 | C37 | 50.7° | 90.0° |
| C13 | C14 | C15 | O16 | 105.6° | 175.0° |
| C14 | C13 | H131 | H132 | 121.0° | 120.0° |
| C13 | C14 | C15 | H151 | 134.7° | 64.9° |
| C13 | C14 | C15 | H152 | 14.1° | 55.0° |
| C40 | C39 | C37 | H392 | 120.4° | 120.0° |
| C40 | C39 | C37 | H391 | 120.4° | 119.9° |
| C39 | C40 | C41 | H402 | 120.4° | 120.1° |
| C39 | C40 | C41 | H401 | 120.4° | 120.0° |
| C39 | C40 | C41 | C42 | 170.7° | 180.0° |
| C40 | C39 | C37 | O36 | 121.2° | 180.0° |
| C40 | C39 | C37 | O38 | 58.4° | 0.0° |
| C40 | C39 | H392 | H391 | 118.8° | 120.0° |
| C39 | C40 | H402 | H401 | 118.8° | 120.0° |
| C39 | C40 | C41 | H411 | 50.1° | 60.0° |
| C39 | C40 | C41 | H412 | 68.8° | 60.0° |
| C37 | C39 | C40 | C41 | 118.5° | 180.0° |
| C39 | C37 | O36 | C14 | 98.3° | 180.0° |
| C39 | C37 | O36 | O38 | 179.6° | 179.9° |
| C37 | C39 | H392 | H391 | 118.8° | 120.0° |
| C37 | C39 | C40 | H402 | 1.9° | 60.0° |
| C37 | C39 | C40 | H401 | 121.1° | 60.0° |
| C40 | C41 | C42 | H411 | 120.5° | 120.0° |
| C40 | C41 | C42 | H412 | 120.5° | 120.0° |
| C41 | C40 | C39 | H392 | 1.9° | 60.0° |
| C41 | C40 | C39 | H391 | 121.2° | 60.0° |
| C41 | C40 | H402 | H401 | 118.8° | 119.9° |
| C40 | C41 | H411 | H412 | 118.4° | 120.0° |
| C40 | C41 | C42 | H422 | 13.0° | 60.0° |
| C40 | C41 | C42 | H421 | 132.2° | 60.0° |
| C42 | C41 | C40 | H402 | 69.0° | 59.9° |
| C42 | C41 | C40 | H401 | 50.3° | 60.0° |
| C42 | C41 | H411 | H412 | 118.4° | 120.0° |
| C41 | C42 | H422 | H421 | 118.7° | 120.0° |
| C41 | C42 | C43 | H432 | 45.0° | 60.0° |
| C41 | C42 | C43 | H431 | 164.1° | 60.0° |
| O36 | C14 | C15 | H141 | 119.2° | 120.0° |
| C14 | O36 | C37 | O38 | 82.1° | 0.1° |
| O36 | C14 | C15 | O16 | 132.7° | 65.0° |
| O36 | C14 | C13 | H131 | 58.7° | 175.0° |
| O36 | C14 | C13 | H132 | 62.0° | 55.0° |
| O36 | C14 | C15 | H151 | 13.0° | 55.0° |
| O36 | C14 | C15 | H152 | 107.5° | 175.0° |
| C15 | C14 | O36 | C37 | 72.5° | 150.0° |
| C14 | C15 | O16 | H151 | 119.7° | 120.0° |
| C14 | C15 | O16 | H152 | 119.7° | 120.0° |
| C14 | C15 | O16 | P17 | 135.3° | 180.0° |
| C15 | C14 | C13 | H131 | 179.9° | 55.0° |
| C15 | C14 | C13 | H132 | 59.3° | 65.0° |
| C14 | C15 | H151 | H152 | 120.8° | 120.0° |
| C37 | O36 | C14 | H141 | 169.4° | 30.0° |
| O36 | C37 | C39 | H392 | 118.4° | 60.0° |
| O36 | C37 | C39 | H391 | 0.8° | 60.1° |
| O38 | C37 | C39 | H392 | 62.0° | 120.0° |
| O38 | C37 | C39 | H391 | 178.8° | 120.0° |
| C15 | O16 | P17 | O18 | 154.8° | 55.0° |
| C15 | O16 | P17 | O19 | 35.7° | 65.0° |
| C15 | O16 | P17 | O20 | 86.2° | 175.0° |
| O16 | C15 | C14 | H141 | 13.5° | 55.0° |
| O16 | C15 | H151 | H152 | 120.9° | 120.0° |
| O16 | P17 | O18 | O19 | 119.6° | 120.0° |
| O16 | P17 | O18 | O20 | 119.0° | 119.9° |
| O16 | P17 | O19 | O20 | 120.4° | 120.0° |
| O16 | P17 | O20 | C21 | 105.6° | 175.0° |
| P17 | O16 | C15 | H151 | 15.6° | 60.0° |
| P17 | O16 | C15 | H152 | 104.9° | 60.0° |
| O16 | P17 | O19 | H3 | 119.6° | 60.0° |
| O18 | P17 | O19 | O20 | 119.9° | 120.0° |
| O18 | P17 | O20 | C21 | 135.0° | 55.1° |
| O18 | P17 | O19 | H3 | 0.0° | 180.0° |
| O19 | P17 | O20 | C21 | 15.1° | 65.0° |
| P17 | O20 | C21 | C22 | 110.3° | 120.0° |
| P17 | O20 | C21 | C34 | 122.6° | 120.0° |
| P17 | O20 | C21 | H211 | 6.1° | 0.0° |
| O20 | P17 | O19 | H3 | 120.0° | 60.0° |
| O20 | C21 | C22 | O23 | 121.0° | 60.0° |
| O20 | C21 | C22 | C34 | 120.4° | 120.1° |
| O20 | C21 | C22 | H211 | 117.3° | 120.0° |
| O20 | C21 | C22 | C24 | 118.3° | 180.0° |
| O20 | C21 | C34 | H211 | 117.4° | 120.0° |
| O20 | C21 | C34 | O35 | 24.7° | 60.0° |
| O20 | C21 | C34 | C28 | 96.6° | 180.0° |
| O20 | C21 | C22 | H221 | 2.4° | 60.0° |
| O20 | C21 | C34 | H341 | 142.0° | 60.0° |
| O23 | C22 | C21 | C24 | 120.6° | 120.0° |
| O23 | C22 | C21 | H221 | 118.6° | 120.0° |
| O23 | C22 | C24 | H221 | 118.9° | 120.1° |
| O23 | C22 | C24 | O25 | 77.3° | 60.0° |
| O23 | C22 | C21 | C34 | 118.6° | 180.0° |
| O23 | C22 | C24 | C26 | 162.9° | 180.0° |
| O23 | C22 | C21 | H211 | 3.7° | 60.0° |
| O23 | C22 | C24 | H241 | 43.4° | 60.0° |
| C21 | C22 | C24 | H221 | 120.7° | 120.0° |
| C21 | C22 | C24 | O25 | 162.3° | 180.0° |
| C22 | C21 | C34 | H211 | 122.3° | 120.0° |
| C21 | C22 | C24 | C26 | 42.5° | 60.0° |
| C22 | C21 | C34 | O35 | 145.0° | 60.0° |
| C22 | C21 | C34 | C28 | 23.7° | 59.9° |
| C21 | C22 | C24 | H241 | 77.0° | 60.0° |
| C22 | C21 | C34 | H341 | 97.7° | 180.0° |
| C21 | C22 | O23 | H231 | 180.0° | 180.0° |
| C22 | C24 | O25 | C26 | 120.9° | 120.0° |
| C22 | C24 | O25 | H241 | 119.6° | 120.0° |
| C24 | C22 | C21 | C34 | 2.1° | 60.0° |
| C22 | C24 | C26 | H241 | 119.5° | 120.0° |
| C22 | C24 | C26 | O27 | 172.5° | 180.0° |
| C22 | C24 | C26 | C28 | 67.6° | 60.0° |
| C24 | C22 | C21 | H211 | 124.3° | 60.0° |
| C22 | C24 | C26 | H261 | 51.9° | 60.0° |
| C24 | C22 | O23 | H231 | 55.3° | 60.0° |
| C22 | C24 | O25 | H251 | 180.0° | 180.0° |
| O25 | C24 | C26 | H241 | 120.5° | 120.0° |
| O25 | C24 | C26 | O27 | 52.6° | 60.0° |
| O25 | C24 | C26 | C28 | 172.5° | 180.0° |
| O25 | C24 | C22 | H221 | 41.6° | 60.0° |
| O25 | C24 | C26 | H261 | 68.1° | 60.0° |
| C21 | C34 | C28 | C26 | 0.7° | 60.0° |
| C21 | C34 | O35 | C28 | 127.8° | 120.0° |
| C21 | C34 | O35 | H341 | 116.0° | 119.9° |
| C21 | C34 | C28 | H341 | 121.3° | 120.0° |
| C21 | C34 | C28 | O29 | 121.5° | 180.0° |
| C34 | C21 | C22 | H221 | 122.8° | 60.1° |
| C21 | C34 | C28 | H281 | 119.7° | 60.0° |
| C21 | C34 | O35 | H351 | 180.0° | 180.0° |
| C24 | C26 | O27 | C28 | 120.4° | 120.0° |
| C24 | C26 | O27 | H261 | 119.6° | 120.1° |
| C24 | C26 | C28 | H261 | 119.5° | 120.0° |
| C24 | C26 | C28 | C34 | 45.3° | 60.0° |
| C24 | C26 | C28 | O29 | 165.6° | 180.0° |
| C26 | C24 | C22 | H221 | 78.2° | 60.0° |
| C24 | C26 | C28 | H281 | 75.2° | 60.0° |
| C26 | C24 | O25 | H251 | 59.2° | 60.0° |
| C24 | C26 | O27 | H271 | 180.0° | 60.0° |
| O27 | C26 | C28 | H261 | 121.0° | 120.0° |
| O27 | C26 | C28 | C34 | 164.8° | 180.0° |
| O27 | C26 | C28 | O29 | 74.9° | 60.0° |
| O27 | C26 | C24 | H241 | 67.9° | 60.0° |
| O27 | C26 | C28 | H281 | 44.3° | 60.0° |
| C26 | C28 | C34 | O35 | 120.6° | 60.0° |
| C26 | C28 | C34 | O29 | 120.8° | 120.0° |
| C26 | C28 | C34 | H281 | 120.5° | 120.0° |
| C26 | C28 | O29 | H281 | 118.1° | 120.0° |
| C26 | C28 | O29 | P30 | 103.8° | 120.0° |
| C28 | C26 | C24 | H241 | 52.0° | 60.0° |
| C26 | C28 | C34 | H341 | 122.1° | 179.9° |
| C28 | C26 | O27 | H271 | 59.6° | 180.0° |
| O35 | C34 | C28 | H341 | 117.4° | 120.1° |
| O35 | C34 | C28 | O29 | 0.2° | 60.0° |
| O35 | C34 | C21 | H211 | 92.7° | 180.0° |
| O35 | C34 | C28 | H281 | 119.0° | 179.9° |
| C34 | C28 | O29 | H281 | 117.5° | 120.0° |
| C34 | C28 | O29 | P30 | 131.7° | 120.0° |
| C28 | C34 | C21 | H211 | 146.0° | 60.0° |
| C34 | C28 | C26 | H261 | 74.2° | 60.0° |
| C28 | C34 | O35 | H351 | 52.2° | 60.0° |
| C28 | O29 | P30 | O33 | 167.7° | 55.0° |
| C28 | O29 | P30 | O32 | 47.7° | 65.0° |
| C28 | O29 | P30 | O31 | 72.6° | 175.0° |
| O29 | C28 | C26 | H261 | 46.1° | 60.0° |
| O29 | C28 | C34 | H341 | 117.1° | 60.0° |
| O29 | P30 | O33 | O32 | 119.9° | 120.0° |
| O29 | P30 | O33 | O31 | 120.0° | 120.0° |
| O29 | P30 | O32 | O31 | 120.3° | 120.0° |
| P30 | O29 | C28 | H281 | 14.2° | 0.0° |
| O29 | P30 | O31 | H4 | 119.8° | 180.0° |
| O29 | P30 | O32 | H5 | 119.9° | 60.0° |
| O33 | P30 | O32 | O31 | 119.8° | 120.0° |
| O33 | P30 | O31 | H4 | 0.0° | 60.0° |
| O33 | P30 | O32 | H5 | 0.0° | 180.0° |
| O32 | P30 | O31 | H4 | 120.1° | 60.0° |
| O31 | P30 | O32 | H5 | 119.8° | 60.0° |
| H021 | C02 | H022 | H1 | 120.0° | 120.0° |
| H021 | C02 | C03 | H032 | 59.6° | 60.0° |
| H021 | C02 | C03 | H031 | 59.6° | 60.1° |
| H022 | C02 | C03 | H032 | 60.4° | 60.0° |
| H022 | C02 | C03 | H031 | 179.6° | 179.9° |
| H1 | C02 | C03 | H032 | 179.6° | 180.0° |
| H1 | C02 | C03 | H031 | 60.4° | 59.9° |
| H032 | C03 | C04 | H042 | 141.8° | 179.9° |
| H032 | C03 | C04 | H041 | 22.7° | 60.0° |
| H031 | C03 | C04 | H042 | 99.1° | 60.0° |
| H031 | C03 | C04 | H041 | 141.8° | 180.0° |
| H042 | C04 | C05 | H051 | 165.5° | 180.0° |
| H042 | C04 | C05 | H052 | 46.2° | 60.1° |
| H041 | C04 | C05 | H051 | 75.4° | 60.0° |
| H041 | C04 | C05 | H052 | 165.4° | 179.9° |
| H051 | C05 | C06 | H061 | 178.2° | 180.0° |
| H051 | C05 | C06 | H062 | 62.7° | 60.0° |
| H052 | C05 | C06 | H061 | 58.9° | 60.0° |
| H052 | C05 | C06 | H062 | 178.1° | 179.9° |
| H061 | C06 | C07 | H071 | 173.2° | 180.0° |
| H061 | C06 | C07 | H072 | 67.6° | 60.0° |
| H062 | C06 | C07 | H071 | 54.0° | 60.0° |
| H062 | C06 | C07 | H072 | 173.2° | 180.0° |
| H071 | C07 | C08 | H081 | 127.6° | 180.0° |
| H071 | C07 | C08 | H082 | 113.2° | 60.0° |
| H072 | C07 | C08 | H081 | 8.4° | 60.0° |
| H072 | C07 | C08 | H082 | 127.6° | 180.0° |
| H081 | C08 | C09 | H092 | 72.8° | 180.0° |
| H081 | C08 | C09 | H091 | 168.5° | 60.0° |
| H082 | C08 | C09 | H092 | 46.5° | 59.9° |
| H082 | C08 | C09 | H091 | 72.3° | 179.9° |
| H131 | C13 | C14 | H141 | 61.0° | 65.0° |
| H132 | C13 | C14 | H141 | 178.3° | 175.0° |
| H141 | C14 | C15 | H151 | 106.2° | 175.0° |
| H141 | C14 | C15 | H152 | 133.2° | 65.1° |
| H211 | C21 | C22 | H221 | 114.9° | 180.0° |
| H211 | C21 | C34 | H341 | 24.6° | 60.0° |
| H221 | C22 | C24 | H241 | 162.3° | 180.0° |
| H221 | C22 | O23 | H231 | 62.5° | 60.0° |
| H241 | C24 | C26 | H261 | 171.4° | 180.0° |
| H241 | C24 | O25 | H251 | 60.4° | 60.0° |
| H261 | C26 | C28 | H281 | 165.3° | 180.0° |
| H261 | C26 | O27 | H271 | 60.4° | 60.0° |
| H281 | C28 | C34 | H341 | 1.6° | 60.0° |
| H341 | C34 | O35 | H351 | 64.0° | 60.0° |
| H392 | C39 | C40 | H402 | 122.3° | 180.0° |
| H392 | C39 | C40 | H401 | 118.5° | 60.0° |
| H391 | C39 | C40 | H402 | 118.5° | 60.0° |
| H391 | C39 | C40 | H401 | 0.7° | 180.0° |
| H402 | C40 | C41 | H411 | 170.5° | 180.0° |
| H402 | C40 | C41 | H412 | 51.6° | 60.0° |
| H401 | C40 | C41 | H411 | 70.3° | 60.0° |
| H401 | C40 | C41 | H412 | 170.8° | 180.0° |
| H411 | C41 | C42 | H422 | 133.6° | 180.0° |
| H411 | C41 | C42 | H421 | 107.2° | 60.0° |
| H412 | C41 | C42 | H422 | 107.5° | 60.0° |
| H412 | C41 | C42 | H421 | 11.7° | 180.0° |
| H422 | C42 | C43 | H432 | 75.3° | 180.0° |
| H422 | C42 | C43 | H431 | 43.8° | 60.0° |
| H421 | C42 | C43 | H432 | 165.4° | 60.0° |
| H421 | C42 | C43 | H431 | 75.5° | 180.0° |
| H432 | C43 | C44 | H442 | 164.3° | 180.0° |
| H432 | C43 | C44 | H441 | 76.3° | 60.0° |
| H431 | C43 | C44 | H442 | 45.3° | 60.0° |
| H431 | C43 | C44 | H441 | 164.6° | 180.0° |
| H442 | C44 | C45 | H452 | 104.0° | 179.9° |
| H442 | C44 | C45 | H451 | 15.3° | 60.0° |
| H441 | C44 | C45 | H452 | 136.7° | 60.0° |
| H441 | C44 | C45 | H451 | 104.1° | 180.0° |
| H452 | C45 | C46 | H462 | 59.6° | 60.0° |
| H452 | C45 | C46 | H461 | 60.4° | 180.0° |
| H452 | C45 | C46 | H2 | 179.6° | 60.0° |
| H451 | C45 | C46 | H462 | 59.6° | 60.0° |
| H451 | C45 | C46 | H461 | 179.6° | 60.0° |
| H451 | C45 | C46 | H2 | 60.4° | 180.0° |
| H462 | C46 | H461 | H2 | 120.0° | 120.0° |
