BEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.42Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.43Å | Aromatic |
| C01 | C23 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | C08 | doub | 1.38Å | 1.43Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C13 | sing | 1.51Å | 1.53Å | |
| C08 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| O14 | C15 | sing | 1.43Å | 1.43Å | |
| C23 | O22 | sing | 1.43Å | 1.43Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O22 | C18 | sing | 1.43Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | C25 | sing | 1.51Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | O24 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | O20 | doub | 1.21Å | 1.23Å | |
| C19 | N21 | sing | 1.35Å | 1.38Å | |
| N21 | C38 | sing | 1.47Å | 1.45Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C25 | O26 | doub | 1.21Å | 1.23Å | |
| C25 | N27 | sing | 1.35Å | 1.38Å | |
| N27 | C28 | sing | 1.47Å | 1.45Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | C34 | sing | 1.54Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C36 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | C37 | sing | 1.51Å | 1.50Å | |
| C31 | C32 | doub | 1.38Å | 1.43Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | O35 | sing | 1.43Å | 1.42Å | |
| C34 | C37 | sing | 1.54Å | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C38 | C44 | sing | 1.54Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C41 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | C46 | sing | 1.38Å | 1.42Å | Aromatic |
| C40 | C47 | sing | 1.51Å | 1.50Å | |
| C41 | C42 | doub | 1.38Å | 1.43Å | Aromatic |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | sing | 1.38Å | 1.42Å | Aromatic |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | C46 | doub | 1.38Å | 1.42Å | Aromatic |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | O45 | sing | 1.43Å | 1.42Å | |
| C44 | C47 | sing | 1.54Å | 1.55Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| O45 | H451 | sing | 0.97Å | 0.95Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 116.5° | 120.0° |
| C02 | C01 | C23 | 119.7° | 120.0° |
| C01 | C02 | C03 | 122.9° | 120.0° |
| C01 | C02 | H021 | 118.6° | 120.0° |
| C06 | C01 | C23 | 123.7° | 120.1° |
| C01 | C06 | C05 | 121.5° | 120.0° |
| C01 | C06 | H061 | 119.3° | 120.0° |
| C01 | C23 | O22 | 113.5° | 109.4° |
| C01 | C23 | H231 | 107.2° | 109.5° |
| C01 | C23 | H232 | 108.1° | 109.4° |
| C03 | C02 | H021 | 118.5° | 120.0° |
| C02 | C03 | C04 | 119.4° | 120.0° |
| C02 | C03 | H031 | 120.3° | 120.0° |
| C04 | C03 | H031 | 120.3° | 120.0° |
| C03 | C04 | C05 | 119.4° | 120.0° |
| C03 | C04 | H041 | 120.3° | 120.0° |
| C05 | C04 | H041 | 120.3° | 120.0° |
| C04 | C05 | C06 | 120.3° | 120.0° |
| C04 | C05 | H051 | 119.8° | 120.0° |
| C06 | C05 | H051 | 119.8° | 120.0° |
| C05 | C06 | H061 | 119.2° | 120.0° |
| C08 | C07 | C12 | 116.3° | 120.0° |
| C08 | C07 | C13 | 120.0° | 120.0° |
| C07 | C08 | C09 | 122.8° | 120.0° |
| C07 | C08 | H081 | 118.6° | 120.0° |
| C12 | C07 | C13 | 123.5° | 119.9° |
| C07 | C12 | C11 | 121.7° | 120.0° |
| C07 | C12 | H121 | 119.1° | 120.0° |
| C07 | C13 | O14 | 113.8° | 109.5° |
| C07 | C13 | H131 | 107.1° | 109.5° |
| C07 | C13 | H132 | 108.0° | 109.5° |
| C09 | C08 | H081 | 118.6° | 120.0° |
| C08 | C09 | C10 | 119.4° | 120.0° |
| C08 | C09 | H091 | 120.3° | 120.0° |
| C10 | C09 | H091 | 120.3° | 120.0° |
| C09 | C10 | C11 | 119.3° | 120.0° |
| C09 | C10 | H101 | 120.3° | 120.0° |
| C11 | C10 | H101 | 120.4° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.0° |
| C10 | C11 | H111 | 119.8° | 120.0° |
| C12 | C11 | H111 | 119.8° | 120.0° |
| C11 | C12 | H121 | 119.1° | 120.0° |
| O14 | C13 | H131 | 107.1° | 109.5° |
| O14 | C13 | H132 | 108.1° | 109.5° |
| C13 | O14 | C15 | 112.7° | 106.8° |
| H131 | C13 | H132 | 112.9° | 109.5° |
| O14 | C15 | C16 | 109.9° | 109.4° |
| O14 | C15 | C25 | 108.9° | 109.5° |
| O14 | C15 | H151 | 107.3° | 109.5° |
| O22 | C23 | H231 | 107.2° | 109.4° |
| O22 | C23 | H232 | 108.1° | 109.5° |
| C23 | O22 | C18 | 113.5° | 106.8° |
| H231 | C23 | H232 | 112.7° | 109.5° |
| O22 | C18 | C17 | 112.3° | 109.5° |
| O22 | C18 | C19 | 109.3° | 109.4° |
| O22 | C18 | H181 | 109.8° | 109.5° |
| C16 | C15 | C25 | 101.5° | 109.5° |
| C16 | C15 | H151 | 114.1° | 109.4° |
| C15 | C16 | C17 | 112.8° | 109.5° |
| C15 | C16 | H161 | 107.6° | 109.5° |
| C15 | C16 | H162 | 108.4° | 109.5° |
| C25 | C15 | H151 | 114.9° | 109.5° |
| C15 | C25 | O26 | 121.6° | 120.0° |
| C15 | C25 | N27 | 117.2° | 120.0° |
| C17 | C16 | H161 | 107.6° | 109.5° |
| C17 | C16 | H162 | 108.4° | 109.4° |
| C16 | C17 | O24 | 104.2° | 109.5° |
| C16 | C17 | C18 | 110.0° | 109.5° |
| C16 | C17 | H171 | 113.4° | 109.4° |
| H161 | C16 | H162 | 112.1° | 109.5° |
| O24 | C17 | C18 | 111.9° | 109.5° |
| O24 | C17 | H171 | 111.5° | 109.5° |
| C17 | O24 | H241 | 109.5° | 106.8° |
| C18 | C17 | H171 | 105.9° | 109.5° |
| C17 | C18 | C19 | 114.9° | 109.5° |
| C17 | C18 | H181 | 103.5° | 109.5° |
| C19 | C18 | H181 | 106.8° | 109.5° |
| C18 | C19 | O20 | 122.4° | 120.0° |
| C18 | C19 | N21 | 116.3° | 120.0° |
| O20 | C19 | N21 | 121.3° | 120.0° |
| C19 | N21 | C38 | 125.9° | 120.0° |
| C19 | N21 | H211 | 117.1° | 120.0° |
| C38 | N21 | H211 | 117.0° | 120.0° |
| N21 | C38 | C39 | 113.5° | 110.3° |
| N21 | C38 | C44 | 115.5° | 110.3° |
| N21 | C38 | H381 | 100.0° | 110.2° |
| O26 | C25 | N27 | 121.2° | 120.0° |
| C25 | N27 | C28 | 123.7° | 120.0° |
| C25 | N27 | H271 | 118.1° | 120.0° |
| C28 | N27 | H271 | 118.2° | 120.0° |
| N27 | C28 | C29 | 112.9° | 110.3° |
| N27 | C28 | C34 | 116.5° | 110.3° |
| N27 | C28 | H281 | 99.8° | 110.3° |
| C29 | C28 | C34 | 101.2° | 105.3° |
| C29 | C28 | H281 | 115.5° | 110.3° |
| C28 | C29 | C30 | 111.2° | 109.6° |
| C28 | C29 | C31 | 129.0° | 130.5° |
| C34 | C28 | H281 | 111.8° | 110.3° |
| C28 | C34 | O35 | 107.2° | 110.8° |
| C28 | C34 | C37 | 106.1° | 102.4° |
| C28 | C34 | H341 | 113.4° | 110.8° |
| C30 | C29 | C31 | 119.7° | 119.8° |
| C29 | C30 | C36 | 121.5° | 119.8° |
| C29 | C30 | C37 | 110.0° | 109.8° |
| C29 | C31 | C32 | 119.6° | 120.3° |
| C29 | C31 | H311 | 120.2° | 119.8° |
| C36 | C30 | C37 | 128.5° | 130.4° |
| C30 | C36 | C33 | 118.7° | 120.3° |
| C30 | C36 | H361 | 120.7° | 119.9° |
| C30 | C37 | C34 | 101.9° | 105.2° |
| C30 | C37 | H371 | 113.6° | 110.3° |
| C30 | C37 | H372 | 112.0° | 110.3° |
| C32 | C31 | H311 | 120.2° | 119.9° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | C36 | 120.4° | 119.9° |
| C32 | C33 | H331 | 119.8° | 120.1° |
| C36 | C33 | H331 | 119.8° | 120.0° |
| C33 | C36 | H361 | 120.6° | 119.9° |
| O35 | C34 | C37 | 110.5° | 111.0° |
| O35 | C34 | H341 | 109.3° | 110.7° |
| C34 | O35 | H351 | 109.5° | 106.8° |
| C37 | C34 | H341 | 110.3° | 110.8° |
| C34 | C37 | H371 | 113.7° | 110.3° |
| C34 | C37 | H372 | 112.1° | 110.3° |
| H371 | C37 | H372 | 103.8° | 110.4° |
| C39 | C38 | C44 | 100.8° | 105.3° |
| C39 | C38 | H381 | 114.9° | 110.3° |
| C38 | C39 | C40 | 111.2° | 109.7° |
| C38 | C39 | C41 | 129.2° | 130.5° |
| C44 | C38 | H381 | 112.8° | 110.3° |
| C38 | C44 | O45 | 107.0° | 110.8° |
| C38 | C44 | C47 | 106.3° | 102.4° |
| C38 | C44 | H441 | 113.4° | 110.9° |
| C40 | C39 | C41 | 119.6° | 119.8° |
| C39 | C40 | C46 | 121.5° | 119.8° |
| C39 | C40 | C47 | 110.0° | 109.8° |
| C39 | C41 | C42 | 119.6° | 120.3° |
| C39 | C41 | H411 | 120.2° | 119.8° |
| C46 | C40 | C47 | 128.5° | 130.4° |
| C40 | C46 | C43 | 118.7° | 120.2° |
| C40 | C46 | H461 | 120.6° | 119.9° |
| C40 | C47 | C44 | 101.7° | 105.2° |
| C40 | C47 | H471 | 113.8° | 110.3° |
| C40 | C47 | H472 | 112.1° | 110.3° |
| C42 | C41 | H411 | 120.2° | 119.9° |
| C41 | C42 | C43 | 120.1° | 119.9° |
| C41 | C42 | H421 | 120.0° | 120.0° |
| C43 | C42 | H421 | 120.0° | 120.0° |
| C42 | C43 | C46 | 120.5° | 119.9° |
| C42 | C43 | H431 | 119.7° | 120.1° |
| C46 | C43 | H431 | 119.7° | 120.0° |
| C43 | C46 | H461 | 120.6° | 119.9° |
| O45 | C44 | C47 | 110.5° | 111.0° |
| O45 | C44 | H441 | 109.4° | 110.7° |
| C44 | O45 | H451 | 109.5° | 106.8° |
| C47 | C44 | H441 | 110.1° | 110.8° |
| C44 | C47 | H471 | 113.8° | 110.3° |
| C44 | C47 | H472 | 112.1° | 110.3° |
| H471 | C47 | H472 | 103.7° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C23 | 176.2° | 179.7° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | C05 | 0.6° | 0.5° |
| C02 | C01 | C06 | H061 | 179.3° | 179.9° |
| C02 | C01 | C23 | O22 | 132.7° | 90.0° |
| C02 | C01 | C23 | H231 | 14.5° | 30.0° |
| C02 | C01 | C23 | H232 | 107.3° | 150.0° |
| C06 | C01 | C02 | C03 | 0.6° | 0.2° |
| C06 | C01 | C02 | H021 | 179.4° | 179.8° |
| C01 | C06 | C05 | C04 | 0.3° | 0.4° |
| C01 | C06 | C05 | H061 | 180.0° | 179.6° |
| C01 | C06 | C05 | H051 | 179.7° | 179.8° |
| C06 | C01 | C23 | O22 | 43.3° | 90.3° |
| C06 | C01 | C23 | H231 | 161.5° | 149.7° |
| C06 | C01 | C23 | H232 | 76.7° | 29.7° |
| C23 | C01 | C02 | C03 | 175.7° | 180.0° |
| C23 | C01 | C02 | H021 | 4.3° | 0.0° |
| C23 | C01 | C06 | C05 | 175.5° | 179.8° |
| C23 | C01 | C06 | H061 | 4.5° | 0.2° |
| C01 | C23 | O22 | H231 | 118.2° | 120.1° |
| C01 | C23 | O22 | H232 | 120.0° | 119.9° |
| C01 | C23 | H231 | H232 | 118.9° | 120.0° |
| C01 | C23 | O22 | C18 | 85.4° | 176.3° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C02 | C03 | C04 | H041 | 179.8° | 179.9° |
| H021 | C02 | C03 | C04 | 179.8° | 180.0° |
| H021 | C02 | C03 | H031 | 0.2° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.2° |
| C03 | C04 | C05 | H051 | 179.8° | 180.0° |
| H031 | C03 | C04 | C05 | 179.8° | 180.0° |
| H031 | C03 | C04 | H041 | 0.2° | 0.1° |
| C04 | C05 | C06 | H051 | 180.0° | 179.8° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| H041 | C04 | C05 | C06 | 179.9° | 179.9° |
| H041 | C04 | C05 | H051 | 0.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.1° |
| C08 | C07 | C12 | C13 | 175.3° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.4° | 0.1° |
| C07 | C08 | C09 | H091 | 179.6° | 179.9° |
| C08 | C07 | C12 | C11 | 0.6° | 0.5° |
| C08 | C07 | C12 | H121 | 179.4° | 179.9° |
| C08 | C07 | C13 | O14 | 57.0° | 90.0° |
| C08 | C07 | C13 | H131 | 175.1° | 29.9° |
| C08 | C07 | C13 | H132 | 63.0° | 150.0° |
| C12 | C07 | C08 | C09 | 0.8° | 0.3° |
| C12 | C07 | C08 | H081 | 179.2° | 179.8° |
| C07 | C12 | C11 | C10 | 0.1° | 0.4° |
| C07 | C12 | C11 | H121 | 180.0° | 179.6° |
| C07 | C12 | C11 | H111 | 179.9° | 179.7° |
| C12 | C07 | C13 | O14 | 118.2° | 90.3° |
| C12 | C07 | C13 | H131 | 0.1° | 149.7° |
| C12 | C07 | C13 | H132 | 121.8° | 29.7° |
| C13 | C07 | C08 | C09 | 174.7° | 180.0° |
| C13 | C07 | C08 | H081 | 5.3° | 0.1° |
| C13 | C07 | C12 | C11 | 174.7° | 179.8° |
| C13 | C07 | C12 | H121 | 5.3° | 0.2° |
| C07 | C13 | O14 | H131 | 118.1° | 120.0° |
| C07 | C13 | O14 | H132 | 120.0° | 120.0° |
| C07 | C13 | H131 | H132 | 118.8° | 120.0° |
| C07 | C13 | O14 | C15 | 79.3° | 178.4° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.1° |
| C08 | C09 | C10 | H101 | 179.9° | 180.0° |
| H081 | C08 | C09 | C10 | 179.6° | 180.0° |
| H081 | C08 | C09 | H091 | 0.4° | 0.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.3° | 0.2° |
| C09 | C10 | C11 | H111 | 179.7° | 179.9° |
| H091 | C09 | C10 | C11 | 179.8° | 180.0° |
| H091 | C09 | C10 | H101 | 0.2° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| H101 | C10 | C11 | C12 | 179.7° | 179.9° |
| H101 | C10 | C11 | H111 | 0.3° | 0.0° |
| H111 | C11 | C12 | H121 | 0.1° | 0.1° |
| O14 | C13 | H131 | H132 | 118.8° | 120.0° |
| C13 | O14 | C15 | C16 | 151.8° | 110.8° |
| C13 | O14 | C15 | C25 | 97.8° | 129.2° |
| C13 | O14 | C15 | H151 | 27.3° | 9.1° |
| H131 | C13 | O14 | C15 | 38.8° | 58.5° |
| H132 | C13 | O14 | C15 | 160.7° | 61.5° |
| O14 | C15 | C16 | C25 | 115.2° | 120.0° |
| O14 | C15 | C16 | H151 | 120.5° | 120.0° |
| O14 | C15 | C25 | H151 | 120.4° | 120.0° |
| O14 | C15 | C16 | C17 | 54.3° | 65.9° |
| O14 | C15 | C16 | H161 | 64.2° | 54.1° |
| O14 | C15 | C16 | H162 | 174.3° | 174.1° |
| O14 | C15 | C25 | O26 | 52.1° | 5.0° |
| O14 | C15 | C25 | N27 | 127.1° | 175.0° |
| O22 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | O22 | C18 | C17 | 137.3° | 151.0° |
| C23 | O22 | C18 | C19 | 94.0° | 89.0° |
| C23 | O22 | C18 | H181 | 22.8° | 31.0° |
| H231 | C23 | O22 | C18 | 32.8° | 56.2° |
| H232 | C23 | O22 | C18 | 154.5° | 63.8° |
| O22 | C18 | C17 | C16 | 28.2° | 55.4° |
| O22 | C18 | C17 | O24 | 87.2° | 175.3° |
| O22 | C18 | C17 | C19 | 125.7° | 119.9° |
| O22 | C18 | C17 | H181 | 118.3° | 120.0° |
| O22 | C18 | C17 | H171 | 151.1° | 64.6° |
| O22 | C18 | C19 | H181 | 118.7° | 120.0° |
| O22 | C18 | C19 | O20 | 63.4° | 5.0° |
| O22 | C18 | C19 | N21 | 114.6° | 175.0° |
| C16 | C15 | C25 | H151 | 123.7° | 120.0° |
| C15 | C16 | C17 | H161 | 118.6° | 120.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.1° | 120.0° |
| C15 | C16 | C17 | O24 | 82.4° | 64.6° |
| C15 | C16 | C17 | C18 | 157.4° | 175.4° |
| C15 | C16 | C17 | H171 | 39.0° | 55.4° |
| C16 | C15 | C25 | O26 | 63.8° | 115.0° |
| C16 | C15 | C25 | N27 | 117.0° | 65.0° |
| C25 | C15 | C16 | C17 | 169.5° | 174.1° |
| C25 | C15 | C16 | H161 | 51.0° | 65.9° |
| C25 | C15 | C16 | H162 | 70.5° | 54.1° |
| C15 | C25 | O26 | N27 | 179.2° | 180.0° |
| C15 | C25 | N27 | C28 | 179.9° | 180.0° |
| C15 | C25 | N27 | H271 | 0.1° | 0.0° |
| H151 | C15 | C16 | C17 | 66.2° | 54.0° |
| H151 | C15 | C16 | H161 | 175.2° | 174.1° |
| H151 | C15 | C16 | H162 | 53.8° | 65.9° |
| H151 | C15 | C25 | O26 | 172.5° | 125.0° |
| H151 | C15 | C25 | N27 | 6.7° | 55.0° |
| C17 | C16 | H161 | H162 | 119.1° | 120.0° |
| C16 | C17 | O24 | C18 | 118.9° | 120.0° |
| C16 | C17 | O24 | H171 | 122.7° | 119.9° |
| C16 | C17 | C18 | H171 | 122.9° | 119.9° |
| C16 | C17 | O24 | H241 | 98.7° | 60.0° |
| C16 | C17 | C18 | C19 | 97.5° | 175.3° |
| C16 | C17 | C18 | H181 | 146.5° | 64.7° |
| H161 | C16 | C17 | O24 | 159.0° | 175.3° |
| H161 | C16 | C17 | C18 | 38.8° | 55.3° |
| H161 | C16 | C17 | H171 | 79.5° | 64.7° |
| H162 | C16 | C17 | O24 | 37.6° | 55.4° |
| H162 | C16 | C17 | C18 | 82.6° | 64.6° |
| H162 | C16 | C17 | H171 | 159.0° | 175.4° |
| O24 | C17 | C18 | H171 | 121.7° | 120.1° |
| O24 | C17 | C18 | C19 | 147.1° | 64.7° |
| O24 | C17 | C18 | H181 | 31.1° | 55.3° |
| C18 | C17 | O24 | H241 | 20.2° | 60.0° |
| C17 | C18 | C19 | H181 | 114.1° | 120.1° |
| C17 | C18 | C19 | O20 | 63.8° | 115.0° |
| C17 | C18 | C19 | N21 | 118.1° | 65.1° |
| H171 | C17 | O24 | H241 | 138.6° | 179.9° |
| H171 | C17 | C18 | C19 | 25.4° | 55.4° |
| H171 | C17 | C18 | H181 | 90.6° | 175.4° |
| C18 | C19 | O20 | N21 | 178.0° | 179.9° |
| C18 | C19 | N21 | C38 | 179.7° | 180.0° |
| C18 | C19 | N21 | H211 | 0.3° | 0.0° |
| H181 | C18 | C19 | O20 | 177.9° | 124.9° |
| H181 | C18 | C19 | N21 | 4.1° | 55.0° |
| O20 | C19 | N21 | C38 | 1.6° | 0.1° |
| O20 | C19 | N21 | H211 | 178.4° | 180.0° |
| C19 | N21 | C38 | H211 | 180.0° | 180.0° |
| C19 | N21 | C38 | C39 | 96.1° | 87.7° |
| C19 | N21 | C38 | C44 | 148.2° | 156.4° |
| C19 | N21 | C38 | H381 | 26.8° | 34.4° |
| N21 | C38 | C39 | C44 | 124.1° | 119.0° |
| N21 | C38 | C39 | H381 | 114.3° | 122.0° |
| N21 | C38 | C44 | H381 | 114.2° | 122.0° |
| N21 | C38 | C39 | C40 | 143.1° | 136.0° |
| N21 | C38 | C39 | C41 | 36.3° | 43.7° |
| N21 | C38 | C44 | O45 | 34.7° | 26.9° |
| N21 | C38 | C44 | C47 | 152.8° | 145.3° |
| N21 | C38 | C44 | H441 | 86.0° | 96.5° |
| H211 | N21 | C38 | C39 | 83.9° | 92.2° |
| H211 | N21 | C38 | C44 | 31.8° | 23.6° |
| H211 | N21 | C38 | H381 | 153.2° | 145.7° |
| O26 | C25 | N27 | C28 | 0.9° | 0.0° |
| O26 | C25 | N27 | H271 | 179.1° | 180.0° |
| C25 | N27 | C28 | H271 | 180.0° | 180.0° |
| C25 | N27 | C28 | C29 | 100.4° | 87.7° |
| C25 | N27 | C28 | C34 | 143.1° | 156.4° |
| C25 | N27 | C28 | H281 | 22.7° | 34.3° |
| N27 | C28 | C29 | C34 | 125.2° | 119.0° |
| N27 | C28 | C29 | H281 | 113.9° | 122.0° |
| N27 | C28 | C34 | H281 | 113.8° | 122.0° |
| N27 | C28 | C29 | C30 | 144.0° | 136.0° |
| N27 | C28 | C29 | C31 | 35.3° | 43.7° |
| N27 | C28 | C34 | O35 | 34.3° | 26.9° |
| N27 | C28 | C34 | C37 | 152.3° | 145.3° |
| N27 | C28 | C34 | H341 | 86.4° | 96.5° |
| H271 | N27 | C28 | C29 | 79.6° | 92.2° |
| H271 | N27 | C28 | C34 | 36.9° | 23.6° |
| H271 | N27 | C28 | H281 | 157.3° | 145.7° |
| C29 | C28 | C34 | H281 | 123.4° | 119.0° |
| C28 | C29 | C30 | C31 | 179.4° | 179.8° |
| C28 | C29 | C30 | C36 | 179.8° | 180.0° |
| C28 | C29 | C30 | C37 | 0.3° | 0.2° |
| C28 | C29 | C31 | C32 | 179.7° | 179.9° |
| C28 | C29 | C31 | H311 | 0.3° | 0.2° |
| C29 | C28 | C34 | O35 | 88.5° | 92.1° |
| C29 | C28 | C34 | C37 | 29.6° | 26.3° |
| C29 | C28 | C34 | H341 | 150.8° | 144.5° |
| C34 | C28 | C29 | C30 | 18.8° | 17.1° |
| C34 | C28 | C29 | C31 | 160.5° | 162.7° |
| C28 | C34 | C37 | C30 | 29.7° | 26.4° |
| C28 | C34 | O35 | C37 | 115.2° | 113.1° |
| C28 | C34 | O35 | H341 | 123.3° | 123.4° |
| C28 | C34 | C37 | H341 | 123.2° | 118.2° |
| C28 | C34 | O35 | H351 | 100.2° | 180.0° |
| C28 | C34 | C37 | H371 | 152.4° | 145.3° |
| C28 | C34 | C37 | H372 | 90.3° | 92.6° |
| H281 | C28 | C29 | C30 | 102.1° | 101.9° |
| H281 | C28 | C29 | C31 | 78.7° | 78.3° |
| H281 | C28 | C34 | O35 | 148.1° | 148.9° |
| H281 | C28 | C34 | C37 | 93.9° | 92.7° |
| H281 | C28 | C34 | H341 | 27.4° | 25.5° |
| C29 | C30 | C36 | C37 | 179.5° | 179.8° |
| C30 | C29 | C31 | C32 | 0.4° | 0.2° |
| C30 | C29 | C31 | H311 | 179.6° | 179.9° |
| C29 | C30 | C36 | C33 | 0.2° | 0.1° |
| C29 | C30 | C37 | C34 | 18.3° | 17.3° |
| C29 | C30 | C36 | H361 | 179.8° | 179.9° |
| C29 | C30 | C37 | H371 | 141.0° | 136.2° |
| C29 | C30 | C37 | H372 | 101.7° | 101.6° |
| C31 | C29 | C30 | C36 | 0.5° | 0.2° |
| C31 | C29 | C30 | C37 | 179.1° | 180.0° |
| C29 | C31 | C32 | H311 | 180.0° | 179.9° |
| C29 | C31 | C32 | C33 | 0.2° | 0.1° |
| C29 | C31 | C32 | H321 | 179.8° | 180.0° |
| C30 | C36 | C33 | C32 | 0.0° | 0.0° |
| C30 | C36 | C33 | H361 | 180.0° | 180.0° |
| C30 | C36 | C33 | H331 | 180.0° | 180.0° |
| C36 | C30 | C37 | C34 | 161.2° | 162.8° |
| C36 | C30 | C37 | H371 | 38.6° | 44.0° |
| C36 | C30 | C37 | H372 | 78.7° | 78.2° |
| C37 | C30 | C36 | C33 | 179.2° | 179.9° |
| C30 | C37 | C34 | O35 | 86.1° | 91.9° |
| C30 | C37 | C34 | H371 | 122.7° | 118.9° |
| C30 | C37 | C34 | H372 | 120.0° | 119.0° |
| C30 | C37 | C34 | H341 | 152.9° | 144.6° |
| C37 | C30 | C36 | H361 | 0.8° | 0.1° |
| C30 | C37 | H371 | H372 | 122.0° | 122.2° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C36 | 0.1° | 0.0° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| H311 | C31 | C32 | C33 | 179.8° | 180.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.1° |
| C32 | C33 | C36 | H331 | 180.0° | 180.0° |
| C32 | C33 | C36 | H361 | 180.0° | 180.0° |
| H321 | C32 | C33 | C36 | 179.9° | 179.9° |
| H321 | C32 | C33 | H331 | 0.1° | 0.0° |
| H331 | C33 | C36 | H361 | 0.0° | 0.0° |
| O35 | C34 | C37 | H341 | 120.9° | 123.5° |
| O35 | C34 | C37 | H371 | 36.5° | 27.0° |
| O35 | C34 | C37 | H372 | 153.9° | 149.1° |
| C37 | C34 | O35 | H351 | 144.6° | 66.9° |
| C34 | C37 | H371 | H372 | 122.0° | 122.1° |
| H341 | C34 | O35 | H351 | 23.1° | 56.6° |
| H341 | C34 | C37 | H371 | 84.4° | 96.5° |
| H341 | C34 | C37 | H372 | 33.0° | 25.6° |
| C39 | C38 | C44 | H381 | 123.1° | 119.0° |
| C38 | C39 | C40 | C41 | 179.5° | 179.8° |
| C38 | C39 | C40 | C46 | 179.8° | 180.0° |
| C38 | C39 | C40 | C47 | 0.3° | 0.1° |
| C38 | C39 | C41 | C42 | 179.7° | 179.9° |
| C38 | C39 | C41 | H411 | 0.3° | 0.1° |
| C39 | C38 | C44 | O45 | 88.0° | 92.1° |
| C39 | C38 | C44 | C47 | 30.1° | 26.3° |
| C39 | C38 | C44 | H441 | 151.2° | 144.5° |
| C44 | C38 | C39 | C40 | 19.0° | 17.1° |
| C44 | C38 | C39 | C41 | 160.4° | 162.7° |
| C38 | C44 | C47 | C40 | 30.3° | 26.3° |
| C38 | C44 | O45 | C47 | 115.4° | 113.0° |
| C38 | C44 | O45 | H441 | 123.2° | 123.5° |
| C38 | C44 | C47 | H441 | 123.2° | 118.3° |
| C38 | C44 | O45 | H451 | 92.0° | 180.0° |
| C38 | C44 | C47 | H471 | 153.0° | 145.2° |
| C38 | C44 | C47 | H472 | 89.7° | 92.6° |
| H381 | C38 | C39 | C40 | 102.6° | 101.9° |
| H381 | C38 | C39 | C41 | 78.0° | 78.3° |
| H381 | C38 | C44 | O45 | 148.9° | 148.9° |
| H381 | C38 | C44 | C47 | 93.0° | 92.7° |
| H381 | C38 | C44 | H441 | 28.2° | 25.5° |
| C39 | C40 | C46 | C47 | 179.4° | 179.9° |
| C40 | C39 | C41 | C42 | 0.3° | 0.2° |
| C40 | C39 | C41 | H411 | 179.7° | 179.9° |
| C39 | C40 | C46 | C43 | 0.2° | 0.1° |
| C39 | C40 | C47 | C44 | 18.5° | 17.2° |
| C39 | C40 | C46 | H461 | 179.8° | 179.9° |
| C39 | C40 | C47 | H471 | 141.3° | 136.2° |
| C39 | C40 | C47 | H472 | 101.4° | 101.7° |
| C41 | C39 | C40 | C46 | 0.3° | 0.2° |
| C41 | C39 | C40 | C47 | 179.2° | 179.9° |
| C39 | C41 | C42 | H411 | 180.0° | 179.9° |
| C39 | C41 | C42 | C43 | 0.1° | 0.1° |
| C39 | C41 | C42 | H421 | 179.8° | 180.0° |
| C40 | C46 | C43 | C42 | 0.0° | 0.0° |
| C40 | C46 | C43 | H461 | 180.0° | 180.0° |
| C40 | C46 | C43 | H431 | 180.0° | 180.0° |
| C46 | C40 | C47 | C44 | 160.9° | 162.8° |
| C46 | C40 | C47 | H471 | 38.2° | 43.9° |
| C46 | C40 | C47 | H472 | 79.1° | 78.3° |
| C47 | C40 | C46 | C43 | 179.2° | 180.0° |
| C40 | C47 | C44 | O45 | 85.5° | 92.0° |
| C40 | C47 | C44 | H471 | 122.8° | 118.9° |
| C40 | C47 | C44 | H472 | 120.0° | 118.9° |
| C40 | C47 | C44 | H441 | 153.4° | 144.6° |
| C47 | C40 | C46 | H461 | 0.8° | 0.0° |
| C40 | C47 | H471 | H472 | 122.1° | 122.1° |
| C41 | C42 | C43 | H421 | 180.0° | 179.9° |
| C41 | C42 | C43 | C46 | 0.0° | 0.0° |
| C41 | C42 | C43 | H431 | 180.0° | 180.0° |
| H411 | C41 | C42 | C43 | 179.9° | 180.0° |
| H411 | C41 | C42 | H421 | 0.2° | 0.1° |
| C42 | C43 | C46 | H431 | 180.0° | 180.0° |
| C42 | C43 | C46 | H461 | 180.0° | 180.0° |
| H421 | C42 | C43 | C46 | 180.0° | 179.9° |
| H421 | C42 | C43 | H431 | 0.0° | 0.1° |
| H431 | C43 | C46 | H461 | 0.0° | 0.0° |
| O45 | C44 | C47 | H441 | 121.0° | 123.4° |
| O45 | C44 | C47 | H471 | 37.2° | 26.9° |
| O45 | C44 | C47 | H472 | 154.5° | 149.1° |
| C47 | C44 | O45 | H451 | 23.3° | 67.0° |
| C44 | C47 | H471 | H472 | 122.1° | 122.1° |
| H441 | C44 | O45 | H451 | 144.7° | 56.5° |
| H441 | C44 | C47 | H471 | 83.8° | 96.5° |
| H441 | C44 | C47 | H472 | 33.5° | 25.7° |
