OO4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | O32 | sing | 1.45Å | 1.42Å | |
| O33 | C30 | doub | 1.22Å | 1.20Å | |
| O32 | C30 | sing | 1.35Å | 1.42Å | |
| C30 | N29 | sing | 1.35Å | 1.46Å | |
| C18 | C17 | doub | 1.38Å | 1.53Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.53Å | Aromatic |
| O10 | C05 | sing | 1.43Å | 1.39Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C35 | C31 | sing | 1.53Å | 1.53Å | |
| N29 | C09 | sing | 1.47Å | 1.45Å | |
| N07 | C06 | sing | 1.46Å | 1.47Å | |
| N07 | C08 | sing | 1.35Å | 1.47Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | C31 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.51Å | 1.54Å | |
| C11 | C06 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.54Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C03 | sing | 1.53Å | 1.54Å | |
| C34 | C31 | sing | 1.53Å | 1.53Å | |
| C08 | O12 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.38Å | 1.52Å | Aromatic |
| C02 | N01 | sing | 1.47Å | 1.45Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| N01 | C19 | sing | 1.35Å | 1.46Å | |
| C04 | C23 | sing | 1.51Å | 1.53Å | |
| C19 | O21 | sing | 1.35Å | 1.43Å | |
| C19 | O20 | doub | 1.22Å | 1.20Å | |
| O21 | C22 | sing | 1.45Å | 1.45Å | |
| C23 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.53Å | Aromatic |
| O38 | C37 | sing | 1.44Å | 1.40Å | |
| O38 | C39 | sing | 1.44Å | 1.53Å | |
| C37 | C22 | sing | 1.54Å | 1.61Å | |
| C28 | C27 | sing | 1.38Å | 1.53Å | Aromatic |
| O41 | C42 | sing | 1.44Å | 1.38Å | |
| O41 | C39 | sing | 1.43Å | 1.44Å | |
| C22 | C40 | sing | 1.54Å | 1.35Å | |
| C42 | C43 | sing | 1.55Å | 1.56Å | |
| C24 | C25 | doub | 1.38Å | 1.53Å | Aromatic |
| C39 | C40 | sing | 1.55Å | 1.60Å | |
| C43 | C40 | sing | 1.55Å | 1.29Å | |
| C27 | C26 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.53Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | 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 | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| O10 | H101 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | O32 | C30 | 113.4° | 117.0° |
| O32 | C36 | H361 | 109.5° | 109.5° |
| O32 | C36 | H362 | 109.5° | 109.5° |
| O32 | C36 | H363 | 109.5° | 109.5° |
| O33 | C30 | O32 | 120.4° | 120.0° |
| O33 | C30 | N29 | 121.7° | 120.0° |
| O32 | C30 | N29 | 117.9° | 120.0° |
| C30 | N29 | C09 | 121.9° | 120.1° |
| C30 | N29 | H291 | 119.1° | 120.0° |
| C17 | C18 | C13 | 119.5° | 120.0° |
| C18 | C17 | C16 | 119.1° | 119.9° |
| C18 | C17 | H171 | 120.5° | 120.0° |
| C17 | C18 | H181 | 120.2° | 120.0° |
| C18 | C13 | C11 | 120.3° | 120.0° |
| C18 | C13 | C14 | 121.6° | 120.0° |
| C13 | C18 | H181 | 120.2° | 120.0° |
| C17 | C16 | C15 | 120.8° | 120.0° |
| C16 | C17 | H171 | 120.4° | 120.0° |
| C17 | C16 | H161 | 119.6° | 120.0° |
| O10 | C05 | C06 | 108.8° | 109.4° |
| O10 | C05 | C03 | 108.1° | 109.5° |
| O10 | C05 | H051 | 111.5° | 109.5° |
| C05 | O10 | H101 | 109.5° | 114.0° |
| C34 | C35 | C31 | 59.6° | 60.0° |
| C35 | C34 | C31 | 60.0° | 60.0° |
| C35 | C34 | H341 | 120.0° | 117.5° |
| C35 | C34 | H342 | 120.0° | 117.5° |
| C34 | C35 | H351 | 120.1° | 117.5° |
| C34 | C35 | H352 | 120.1° | 117.4° |
| C35 | C31 | C09 | 112.5° | 117.5° |
| C35 | C31 | C34 | 60.4° | 60.0° |
| C35 | C31 | H311 | 118.6° | 117.5° |
| C31 | C35 | H351 | 120.1° | 117.5° |
| C31 | C35 | H352 | 120.0° | 117.4° |
| N29 | C09 | C08 | 107.8° | 109.5° |
| N29 | C09 | C31 | 109.3° | 109.4° |
| N29 | C09 | H091 | 110.3° | 109.4° |
| C09 | N29 | H291 | 119.0° | 119.9° |
| C06 | N07 | C08 | 120.3° | 120.0° |
| N07 | C06 | C11 | 110.1° | 109.5° |
| N07 | C06 | C05 | 110.6° | 109.5° |
| N07 | C06 | H061 | 110.4° | 109.5° |
| C06 | N07 | H071 | 119.9° | 120.0° |
| N07 | C08 | C09 | 117.9° | 120.0° |
| N07 | C08 | O12 | 121.1° | 119.9° |
| C08 | N07 | H071 | 119.9° | 120.0° |
| C08 | C09 | C31 | 111.1° | 109.5° |
| C09 | C08 | O12 | 121.0° | 120.0° |
| C08 | C09 | H091 | 109.1° | 109.5° |
| C09 | C31 | C34 | 114.7° | 117.5° |
| C31 | C09 | H091 | 109.3° | 109.4° |
| C09 | C31 | H311 | 118.8° | 115.5° |
| C13 | C11 | C06 | 105.8° | 109.5° |
| C11 | C13 | C14 | 118.1° | 120.0° |
| C13 | C11 | H111 | 110.4° | 109.5° |
| C13 | C11 | H112 | 110.4° | 109.5° |
| C11 | C06 | C05 | 106.5° | 109.5° |
| C11 | C06 | H061 | 109.5° | 109.4° |
| C06 | C11 | H111 | 110.4° | 109.5° |
| C06 | C11 | H112 | 110.4° | 109.5° |
| C13 | C14 | C15 | 118.8° | 120.0° |
| C13 | C14 | H141 | 120.6° | 120.0° |
| C16 | C15 | C14 | 120.2° | 120.0° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 119.6° | 120.0° |
| C06 | C05 | C03 | 109.3° | 109.5° |
| C06 | C05 | H051 | 109.6° | 109.5° |
| C05 | C06 | H061 | 109.7° | 109.5° |
| C05 | C03 | C02 | 112.8° | 109.5° |
| C05 | C03 | H032 | 108.6° | 109.5° |
| C05 | C03 | H031 | 108.6° | 109.5° |
| C03 | C05 | H051 | 109.4° | 109.5° |
| C34 | C31 | H311 | 118.6° | 117.5° |
| C31 | C34 | H341 | 120.0° | 117.5° |
| C31 | C34 | H342 | 120.0° | 117.5° |
| C03 | C02 | N01 | 109.4° | 109.5° |
| C03 | C02 | C04 | 103.2° | 109.5° |
| C03 | C02 | H021 | 109.6° | 109.5° |
| C02 | C03 | H032 | 108.6° | 109.4° |
| C02 | C03 | H031 | 108.7° | 109.5° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C15 | C14 | H141 | 120.6° | 120.0° |
| N01 | C02 | C04 | 113.8° | 109.4° |
| C02 | N01 | C19 | 120.4° | 120.0° |
| N01 | C02 | H021 | 110.9° | 109.4° |
| C02 | N01 | H011 | 119.8° | 120.0° |
| C02 | C04 | C23 | 109.0° | 109.5° |
| C04 | C02 | H021 | 109.7° | 109.5° |
| C02 | C04 | H041 | 109.6° | 109.5° |
| C02 | C04 | H042 | 109.6° | 109.4° |
| N01 | C19 | O21 | 114.5° | 120.0° |
| N01 | C19 | O20 | 123.5° | 120.0° |
| C19 | N01 | H011 | 119.8° | 120.0° |
| C04 | C23 | C28 | 119.6° | 120.0° |
| C04 | C23 | C24 | 118.9° | 120.0° |
| C23 | C04 | H041 | 109.6° | 109.5° |
| C23 | C04 | H042 | 109.6° | 109.5° |
| O21 | C19 | O20 | 121.9° | 120.0° |
| C19 | O21 | C22 | 120.7° | 117.0° |
| O21 | C22 | C37 | 99.1° | 110.7° |
| O21 | C22 | C40 | 115.1° | 110.5° |
| O21 | C22 | H221 | 111.8° | 110.5° |
| C28 | C23 | C24 | 121.5° | 120.0° |
| C23 | C28 | C27 | 118.6° | 120.0° |
| C23 | C28 | H281 | 120.7° | 120.0° |
| C23 | C24 | C25 | 119.3° | 120.0° |
| C23 | C24 | H241 | 120.4° | 120.0° |
| C37 | O38 | C39 | 104.4° | 106.0° |
| O38 | C37 | C22 | 101.6° | 104.8° |
| O38 | C37 | H371 | 111.4° | 110.4° |
| O38 | C37 | H372 | 111.4° | 110.5° |
| O38 | C39 | O41 | 115.8° | 109.1° |
| O38 | C39 | C40 | 105.6° | 104.9° |
| O38 | C39 | H391 | 110.3° | 111.7° |
| C37 | C22 | C40 | 106.7° | 104.2° |
| C37 | C22 | H221 | 109.5° | 110.5° |
| C22 | C37 | H371 | 111.4° | 110.4° |
| C22 | C37 | H372 | 111.4° | 110.3° |
| C28 | C27 | C26 | 120.5° | 120.0° |
| C27 | C28 | H281 | 120.7° | 120.0° |
| C28 | C27 | H271 | 119.7° | 120.0° |
| C42 | O41 | C39 | 108.3° | 110.2° |
| O41 | C42 | C43 | 107.4° | 105.5° |
| O41 | C42 | H421 | 110.0° | 110.8° |
| O41 | C42 | H422 | 110.0° | 109.5° |
| O41 | C39 | C40 | 103.7° | 107.1° |
| O41 | C39 | H391 | 111.6° | 111.8° |
| C22 | C40 | C39 | 103.8° | 104.4° |
| C22 | C40 | C43 | 111.6° | 109.1° |
| C40 | C22 | H221 | 113.4° | 110.5° |
| C22 | C40 | H401 | 111.3° | 113.1° |
| C42 | C43 | C40 | 106.5° | 101.0° |
| C43 | C42 | H421 | 110.0° | 110.3° |
| C43 | C42 | H422 | 110.0° | 110.3° |
| C42 | C43 | H431 | 110.2° | 111.1° |
| C42 | C43 | H432 | 110.2° | 111.2° |
| C24 | C25 | C26 | 119.7° | 120.0° |
| C25 | C24 | H241 | 120.4° | 120.0° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C39 | C40 | C43 | 109.4° | 102.2° |
| C40 | C39 | H391 | 109.4° | 111.9° |
| C39 | C40 | H401 | 107.9° | 113.3° |
| C43 | C40 | H401 | 112.4° | 113.8° |
| C40 | C43 | H431 | 110.2° | 111.1° |
| C40 | C43 | H432 | 110.2° | 111.1° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C27 | C26 | H261 | 119.8° | 120.0° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| C25 | C26 | H261 | 119.8° | 120.0° |
| C26 | C25 | H251 | 120.1° | 120.0° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H341 | C34 | H342 | 109.5° | 115.6° |
| H351 | C35 | H352 | 109.5° | 115.6° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H361 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.4° | 110.4° |
| H421 | C42 | H422 | 109.5° | 110.3° |
| H431 | C43 | H432 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | O32 | C30 | O33 | 26.9° | 0.0° |
| C36 | O32 | C30 | N29 | 152.7° | 180.0° |
| O32 | C36 | H361 | H362 | 120.0° | 120.0° |
| O32 | C36 | H361 | H363 | 120.0° | 120.0° |
| O32 | C36 | H362 | H363 | 120.0° | 120.0° |
| O33 | C30 | O32 | N29 | 179.7° | 180.0° |
| O33 | C30 | N29 | C09 | 1.5° | 0.0° |
| O33 | C30 | N29 | H291 | 178.5° | 180.0° |
| O32 | C30 | N29 | C09 | 178.2° | 180.0° |
| C30 | O32 | C36 | H361 | 180.0° | 60.0° |
| C30 | O32 | C36 | H362 | 60.0° | 180.0° |
| C30 | O32 | C36 | H363 | 60.0° | 60.0° |
| O32 | C30 | N29 | H291 | 1.9° | 0.0° |
| C30 | N29 | C09 | H291 | 180.0° | 180.0° |
| C30 | N29 | C09 | C08 | 122.1° | 155.0° |
| C30 | N29 | C09 | C31 | 117.0° | 85.0° |
| C30 | N29 | C09 | H091 | 3.1° | 34.9° |
| C17 | C18 | C13 | H181 | 180.0° | 180.0° |
| C18 | C17 | C16 | H171 | 180.0° | 179.2° |
| C17 | C18 | C13 | C11 | 179.2° | 179.7° |
| C17 | C18 | C13 | C14 | 0.8° | 0.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.8° |
| C18 | C17 | C16 | H161 | 179.4° | 179.2° |
| C13 | C18 | C17 | C16 | 1.0° | 0.5° |
| C18 | C13 | C11 | C14 | 178.4° | 179.8° |
| C18 | C13 | C11 | C06 | 98.2° | 90.3° |
| C18 | C13 | C14 | C15 | 0.2° | 0.2° |
| C13 | C18 | C17 | H171 | 179.0° | 179.8° |
| C18 | C13 | C11 | H111 | 142.4° | 29.7° |
| C18 | C13 | C11 | H112 | 21.3° | 149.7° |
| C18 | C13 | C14 | H141 | 179.8° | 179.8° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.6° |
| C17 | C16 | C15 | H151 | 180.0° | 179.5° |
| C16 | C17 | C18 | H181 | 179.0° | 179.5° |
| O10 | C05 | C06 | N07 | 53.4° | 60.0° |
| O10 | C05 | C06 | C11 | 66.2° | 60.0° |
| O10 | C05 | C06 | C03 | 117.9° | 120.0° |
| O10 | C05 | C06 | H051 | 122.2° | 120.0° |
| O10 | C05 | C03 | H051 | 121.6° | 120.1° |
| O10 | C05 | C03 | C02 | 159.2° | 65.1° |
| O10 | C05 | C03 | H032 | 38.7° | 175.0° |
| O10 | C05 | C03 | H031 | 80.3° | 55.0° |
| O10 | C05 | C06 | H061 | 175.4° | 180.0° |
| C34 | C35 | C31 | H351 | 109.4° | 107.5° |
| C34 | C35 | C31 | H352 | 109.4° | 107.4° |
| C35 | C34 | C31 | C09 | 102.9° | 107.5° |
| C35 | C34 | C31 | H341 | 109.5° | 107.5° |
| C35 | C34 | C31 | H342 | 109.4° | 107.5° |
| C34 | C35 | C31 | H311 | 108.6° | 107.5° |
| C35 | C34 | H341 | H342 | 144.8° | 145.7° |
| C34 | C35 | H351 | H352 | 145.0° | 145.7° |
| C35 | C31 | C09 | N29 | 89.5° | 8.8° |
| C35 | C31 | C09 | C08 | 151.7° | 111.3° |
| C35 | C31 | C09 | H311 | 144.8° | 145.7° |
| C35 | C31 | C09 | H091 | 31.2° | 128.7° |
| C31 | C35 | H351 | H352 | 144.9° | 145.7° |
| N29 | C09 | C08 | N07 | 105.5° | 180.0° |
| N29 | C09 | C08 | C31 | 119.7° | 120.0° |
| N29 | C09 | C08 | H091 | 119.7° | 120.0° |
| N29 | C09 | C31 | H091 | 120.8° | 119.9° |
| N29 | C09 | C31 | C34 | 156.1° | 59.9° |
| N29 | C09 | C08 | O12 | 73.4° | 0.0° |
| N29 | C09 | C31 | H311 | 55.3° | 154.5° |
| C06 | N07 | C08 | H071 | 180.0° | 180.0° |
| C06 | N07 | C08 | C09 | 179.7° | 180.0° |
| N07 | C06 | C11 | C13 | 52.8° | 65.0° |
| N07 | C06 | C11 | C05 | 119.9° | 120.0° |
| N07 | C06 | C11 | H061 | 121.6° | 120.0° |
| N07 | C06 | C05 | H061 | 122.0° | 120.0° |
| N07 | C06 | C05 | C03 | 64.4° | 60.0° |
| C06 | N07 | C08 | O12 | 0.7° | 0.0° |
| N07 | C06 | C05 | H051 | 175.6° | 180.0° |
| N07 | C06 | C11 | H111 | 172.3° | 175.0° |
| N07 | C06 | C11 | H112 | 66.6° | 55.0° |
| N07 | C08 | C09 | O12 | 178.9° | 180.0° |
| N07 | C08 | C09 | C31 | 134.8° | 60.0° |
| C08 | N07 | C06 | C11 | 119.1° | 85.0° |
| C08 | N07 | C06 | C05 | 123.5° | 155.0° |
| C08 | N07 | C06 | H061 | 2.0° | 35.0° |
| N07 | C08 | C09 | H091 | 14.2° | 60.0° |
| C08 | C09 | C31 | H091 | 120.5° | 120.1° |
| C08 | C09 | C31 | C34 | 85.1° | 179.9° |
| C08 | C09 | C31 | H311 | 63.5° | 34.4° |
| C09 | C08 | N07 | H071 | 0.3° | 0.0° |
| C08 | C09 | N29 | H291 | 57.8° | 25.0° |
| C09 | C31 | C34 | H311 | 148.7° | 145.0° |
| C31 | C09 | C08 | O12 | 46.3° | 120.0° |
| C09 | C31 | C34 | H341 | 6.6° | 145.0° |
| C09 | C31 | C34 | H342 | 147.7° | 0.0° |
| C09 | C31 | C35 | H351 | 144.0° | 0.0° |
| C09 | C31 | C35 | H352 | 2.8° | 145.0° |
| C31 | C09 | N29 | H291 | 63.0° | 95.0° |
| C13 | C11 | C06 | H111 | 119.4° | 120.0° |
| C13 | C11 | C06 | H112 | 119.4° | 120.0° |
| C13 | C11 | C06 | C05 | 172.7° | 175.0° |
| C11 | C13 | C14 | C15 | 178.6° | 180.0° |
| C13 | C11 | C06 | H061 | 68.8° | 55.0° |
| C13 | C11 | H111 | H112 | 121.7° | 120.0° |
| C11 | C13 | C14 | H141 | 1.4° | 0.0° |
| C11 | C13 | C18 | H181 | 0.8° | 0.2° |
| C06 | C11 | C13 | C14 | 80.3° | 89.9° |
| C11 | C06 | C05 | H061 | 118.4° | 120.0° |
| C11 | C06 | C05 | C03 | 176.0° | NaN° |
| C11 | C06 | C05 | H051 | 56.0° | 60.0° |
| C06 | C11 | H111 | H112 | 121.7° | 120.0° |
| C11 | C06 | N07 | H071 | 60.9° | 95.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | H151 | 179.7° | 180.0° |
| C14 | C13 | C11 | H111 | 39.2° | 150.1° |
| C14 | C13 | C11 | H112 | 160.3° | 30.1° |
| C14 | C13 | C18 | H181 | 179.2° | 180.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.4° | 180.0° |
| C16 | C15 | C14 | H141 | 179.8° | 180.0° |
| C06 | C05 | C03 | H051 | 120.1° | 120.0° |
| C06 | C05 | C03 | C02 | 82.4° | 175.0° |
| C06 | C05 | C03 | H032 | 157.1° | 55.0° |
| C06 | C05 | C03 | H031 | 38.1° | 65.0° |
| C05 | C06 | C11 | H111 | 67.9° | 55.0° |
| C05 | C06 | C11 | H112 | 53.3° | 65.0° |
| C05 | C06 | N07 | H071 | 56.5° | 25.0° |
| C06 | C05 | O10 | H101 | 180.0° | 60.0° |
| C05 | C03 | C02 | H032 | 120.5° | 120.0° |
| C05 | C03 | C02 | H031 | 120.5° | 120.1° |
| C05 | C03 | C02 | N01 | 43.2° | 65.0° |
| C05 | C03 | C02 | C04 | 164.7° | 175.0° |
| C05 | C03 | C02 | H021 | 78.5° | 54.9° |
| C05 | C03 | H032 | H031 | 118.4° | 120.0° |
| C03 | C05 | C06 | H061 | 57.6° | 60.0° |
| C03 | C05 | O10 | H101 | 61.3° | 60.0° |
| C34 | C31 | C09 | H091 | 35.3° | 60.0° |
| C31 | C34 | H341 | H342 | 144.8° | 145.6° |
| O12 | C08 | C09 | H091 | 166.9° | 120.0° |
| O12 | C08 | N07 | H071 | 179.2° | 180.0° |
| C03 | C02 | N01 | C04 | 114.8° | 120.0° |
| C03 | C02 | N01 | H021 | 120.9° | 120.0° |
| C03 | C02 | C04 | H021 | 116.7° | 120.0° |
| C03 | C02 | N01 | C19 | 120.7° | 155.0° |
| C03 | C02 | C04 | C23 | 173.8° | 175.0° |
| C02 | C03 | H032 | H031 | 118.5° | 120.0° |
| C03 | C02 | C04 | H041 | 53.9° | 64.9° |
| C03 | C02 | C04 | H042 | 66.3° | 55.0° |
| C02 | C03 | C05 | H051 | 37.6° | 55.0° |
| C03 | C02 | N01 | H011 | 59.2° | 25.0° |
| C14 | C15 | C16 | H161 | 179.9° | 179.4° |
| N01 | C02 | C04 | H021 | 124.9° | 119.9° |
| C02 | N01 | C19 | H011 | 180.0° | 179.9° |
| N01 | C02 | C04 | C23 | 55.4° | 65.0° |
| C02 | N01 | C19 | O21 | 172.6° | 180.0° |
| C02 | N01 | C19 | O20 | 5.3° | 0.1° |
| N01 | C02 | C03 | H032 | 77.3° | 175.0° |
| N01 | C02 | C03 | H031 | 163.7° | 55.1° |
| N01 | C02 | C04 | H041 | 64.5° | 55.1° |
| N01 | C02 | C04 | H042 | 175.3° | 175.0° |
| C04 | C02 | N01 | C19 | 124.4° | 85.0° |
| C02 | C04 | C23 | H041 | 119.9° | 120.1° |
| C02 | C04 | C23 | H042 | 119.9° | 120.0° |
| C02 | C04 | C23 | C28 | 109.0° | 90.0° |
| C02 | C04 | C23 | C24 | 70.2° | 90.0° |
| C04 | C02 | C03 | H032 | 44.2° | 55.0° |
| C04 | C02 | C03 | H031 | 74.8° | 64.9° |
| C02 | C04 | H041 | H042 | 120.2° | 119.9° |
| C04 | C02 | N01 | H011 | 55.6° | 95.1° |
| N01 | C19 | O21 | O20 | 177.9° | 179.9° |
| N01 | C19 | O21 | C22 | 150.5° | 180.0° |
| C19 | N01 | C02 | H021 | 0.2° | 35.0° |
| C04 | C23 | C28 | C24 | 179.2° | 180.0° |
| C04 | C23 | C28 | C27 | 179.1° | 179.4° |
| C04 | C23 | C24 | C25 | 178.8° | 179.9° |
| C04 | C23 | C24 | H241 | 1.2° | 0.2° |
| C04 | C23 | C28 | H281 | 0.9° | 0.2° |
| C23 | C04 | C02 | H021 | 69.4° | 54.9° |
| C23 | C04 | H041 | H042 | 120.2° | 120.0° |
| C19 | O21 | C22 | C37 | 139.5° | 95.2° |
| C19 | O21 | C22 | C40 | 107.1° | 150.0° |
| C19 | O21 | C22 | H221 | 24.2° | 27.5° |
| O21 | C19 | N01 | H011 | 7.4° | 0.1° |
| O20 | C19 | O21 | C22 | 27.4° | 0.1° |
| O20 | C19 | N01 | H011 | 174.7° | 180.0° |
| O21 | C22 | C37 | O38 | 75.8° | 93.1° |
| O21 | C22 | C37 | C40 | 119.8° | 118.7° |
| O21 | C22 | C37 | H221 | 117.1° | 122.7° |
| O21 | C22 | C40 | H221 | 130.5° | 122.5° |
| O21 | C22 | C40 | C39 | 80.5° | 115.8° |
| O21 | C22 | C40 | C43 | 37.2° | 7.2° |
| O21 | C22 | C37 | H371 | 43.0° | 148.1° |
| O21 | C22 | C37 | H372 | 165.5° | 25.8° |
| O21 | C22 | C40 | H401 | 163.7° | 120.5° |
| C23 | C28 | C27 | H281 | 180.0° | 179.2° |
| C28 | C23 | C24 | C25 | 0.4° | 0.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.8° |
| C28 | C23 | C24 | H241 | 179.6° | 179.8° |
| C28 | C23 | C04 | H041 | 10.9° | 30.1° |
| C28 | C23 | C04 | H042 | 131.0° | 150.0° |
| C23 | C28 | C27 | H271 | 179.8° | 179.2° |
| C24 | C23 | C28 | C27 | 0.1° | 0.5° |
| C23 | C24 | C25 | H241 | 180.0° | 179.8° |
| C23 | C24 | C25 | C26 | 0.5° | 0.2° |
| C24 | C23 | C28 | H281 | 179.9° | 179.8° |
| C24 | C23 | C04 | H041 | 169.9° | 150.0° |
| C24 | C23 | C04 | H042 | 49.7° | 30.0° |
| C23 | C24 | C25 | H251 | 179.5° | 179.7° |
| O38 | C37 | C22 | H371 | 118.7° | 118.8° |
| O38 | C37 | C22 | H372 | 118.7° | 118.9° |
| C37 | O38 | C39 | O41 | 136.1° | 152.5° |
| O38 | C37 | C22 | C40 | 44.0° | 25.6° |
| C37 | O38 | C39 | C40 | 22.0° | 38.0° |
| O38 | C37 | C22 | H221 | 167.2° | 144.2° |
| O38 | C37 | H371 | H372 | 123.7° | 122.4° |
| C37 | O38 | C39 | H391 | 96.0° | 83.5° |
| C39 | O38 | C37 | C22 | 37.1° | 40.1° |
| O38 | C39 | O41 | C42 | 103.6° | 112.9° |
| O38 | C39 | O41 | C40 | 115.1° | 113.0° |
| O38 | C39 | O41 | H391 | 127.2° | 124.1° |
| O38 | C39 | C40 | C22 | 6.0° | 20.4° |
| O38 | C39 | C40 | H391 | 118.6° | 121.3° |
| O38 | C39 | C40 | C43 | 125.2° | 93.2° |
| C39 | O38 | C37 | H371 | 155.9° | 78.7° |
| C39 | O38 | C37 | H372 | 81.6° | 158.9° |
| O38 | C39 | C40 | H401 | 112.2° | 143.9° |
| C37 | C22 | C40 | H221 | 120.6° | 118.6° |
| C37 | C22 | C40 | C39 | 28.4° | 3.0° |
| C37 | C22 | C40 | C43 | 146.0° | 111.7° |
| C22 | C37 | H371 | H372 | 123.6° | 122.3° |
| C37 | C22 | C40 | H401 | 87.5° | 120.6° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.6° |
| C28 | C27 | C26 | H261 | 179.9° | 179.4° |
| O41 | C42 | C43 | H421 | 119.7° | 119.7° |
| O41 | C42 | C43 | H422 | 119.7° | 118.2° |
| C42 | O41 | C39 | C40 | 11.5° | 0.1° |
| O41 | C42 | C43 | C40 | 22.3° | 35.9° |
| C42 | O41 | C39 | H391 | 129.1° | 123.0° |
| O41 | C42 | H421 | H422 | 120.9° | 121.5° |
| O41 | C42 | C43 | H431 | 97.3° | 82.0° |
| O41 | C42 | C43 | H432 | 141.8° | 153.8° |
| O41 | C39 | C40 | C22 | 116.2° | 136.3° |
| C39 | O41 | C42 | C43 | 20.1° | 22.9° |
| O41 | C39 | C40 | H391 | 119.2° | 122.8° |
| O41 | C39 | C40 | C43 | 3.0° | 22.7° |
| O41 | C39 | C40 | H401 | 125.6° | 100.2° |
| C39 | O41 | C42 | H421 | 139.7° | 142.2° |
| C39 | O41 | C42 | H422 | 99.7° | 95.8° |
| C22 | C40 | C43 | C42 | 99.8° | 144.6° |
| C22 | C40 | C39 | C43 | 119.2° | 113.6° |
| C22 | C40 | C39 | H401 | 118.2° | 123.5° |
| C22 | C40 | C43 | H401 | 125.9° | 127.3° |
| C40 | C22 | C37 | H371 | 162.8° | 93.2° |
| C40 | C22 | C37 | H372 | 74.7° | 144.5° |
| C22 | C40 | C39 | H391 | 124.7° | 100.9° |
| C22 | C40 | C43 | H431 | 140.6° | 26.7° |
| C22 | C40 | C43 | H432 | 19.7° | 97.4° |
| C42 | C43 | C40 | C39 | 14.4° | 34.5° |
| C42 | C43 | C40 | H431 | 119.6° | 117.9° |
| C42 | C43 | C40 | H432 | 119.5° | 118.0° |
| C42 | C43 | C40 | H401 | 134.3° | 88.1° |
| C43 | C42 | H421 | H422 | 120.9° | 122.1° |
| C42 | C43 | H431 | H432 | 121.3° | 124.3° |
| C24 | C25 | C26 | C27 | 0.3° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 179.9° |
| C24 | C25 | C26 | H261 | 179.8° | 179.9° |
| C39 | C40 | C43 | H401 | 119.9° | 122.6° |
| C39 | C40 | C22 | H221 | 149.0° | 121.7° |
| C39 | C40 | C43 | H431 | 105.2° | 83.4° |
| C39 | C40 | C43 | H432 | 133.9° | 152.5° |
| C43 | C40 | C22 | H221 | 93.3° | 129.7° |
| C43 | C40 | C39 | H391 | 116.2° | 145.5° |
| C40 | C43 | C42 | H421 | 141.9° | 155.5° |
| C40 | C43 | C42 | H422 | 97.4° | 82.4° |
| C40 | C43 | H431 | H432 | 121.4° | 124.1° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C26 | C27 | C28 | H281 | 179.8° | 180.0° |
| C27 | C26 | C25 | H251 | 179.8° | 180.0° |
| C26 | C25 | C24 | H241 | 179.5° | 180.0° |
| C25 | C26 | C27 | H271 | 179.9° | 179.5° |
| H151 | C15 | C14 | H141 | 0.2° | 0.0° |
| H151 | C15 | C16 | H161 | 0.1° | 0.6° |
| H171 | C17 | C16 | H161 | 0.6° | 0.1° |
| H171 | C17 | C18 | H181 | 1.0° | 0.3° |
| H221 | C22 | C37 | H371 | 74.1° | 25.4° |
| H221 | C22 | C37 | H372 | 48.4° | 96.9° |
| H221 | C22 | C40 | H401 | 33.2° | 2.0° |
| H241 | C24 | C25 | H251 | 0.5° | 0.1° |
| H261 | C26 | C25 | H251 | 0.2° | 0.0° |
| H261 | C26 | C27 | H271 | 0.1° | 0.5° |
| H281 | C28 | C27 | H271 | 0.2° | 0.0° |
| H021 | C02 | C03 | H032 | 161.0° | 65.1° |
| H021 | C02 | C03 | H031 | 42.0° | 175.0° |
| H021 | C02 | C04 | H041 | 170.7° | 175.0° |
| H021 | C02 | C04 | H042 | 50.5° | 65.1° |
| H021 | C02 | N01 | H011 | 179.8° | 144.9° |
| H032 | C03 | C05 | H051 | 82.9° | 65.0° |
| H031 | C03 | C05 | H051 | 158.2° | 175.1° |
| H051 | C05 | C06 | H061 | 62.4° | 59.9° |
| H051 | C05 | O10 | H101 | 59.0° | 180.0° |
| H061 | C06 | C11 | H111 | 50.6° | 65.0° |
| H061 | C06 | C11 | H112 | 171.8° | 175.0° |
| H061 | C06 | N07 | H071 | 178.0° | 145.0° |
| H091 | C09 | C31 | H311 | 176.0° | 85.6° |
| H091 | C09 | N29 | H291 | 176.8° | 145.1° |
| H311 | C31 | C34 | H341 | 142.1° | 0.0° |
| H311 | C31 | C34 | H342 | 1.0° | 145.0° |
| H311 | C31 | C35 | H351 | 0.8° | 145.0° |
| H311 | C31 | C35 | H352 | 142.0° | 0.0° |
| H341 | C34 | C35 | H351 | 141.2° | 145.1° |
| H341 | C34 | C35 | H352 | 0.1° | 0.0° |
| H342 | C34 | C35 | H351 | 0.1° | 0.0° |
| H342 | C34 | C35 | H352 | 141.2° | 145.1° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H391 | C39 | C40 | H401 | 6.4° | 22.6° |
| H401 | C40 | C43 | H431 | 14.7° | 154.0° |
| H401 | C40 | C43 | H432 | 106.2° | 29.9° |
| H421 | C42 | C43 | H431 | 22.4° | 37.6° |
| H421 | C42 | C43 | H432 | 98.5° | 86.5° |
| H422 | C42 | C43 | H431 | 143.0° | 159.8° |
| H422 | C42 | C43 | H432 | 22.1° | 35.6° |
