A1C9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| O08 | C05 | doub | 1.21Å | 1.20Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | N06 | sing | 1.35Å | 1.44Å | |
| C05 | C04 | sing | 1.51Å | 1.51Å | |
| C07 | N06 | sing | 1.47Å | 1.45Å | |
| C04 | N09 | sing | 1.47Å | 1.47Å | |
| N09 | C10 | sing | 1.35Å | 1.47Å | |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C38 | C36 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| O40 | C10 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C36 | C35 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.54Å | 1.32Å | |
| C16 | N17 | sing | 1.48Å | 1.63Å | |
| C15 | C11 | sing | 1.55Å | 1.59Å | |
| C15 | C14 | sing | 1.56Å | 1.57Å | |
| O39 | C19 | doub | 1.21Å | 1.19Å | |
| C11 | C18 | sing | 1.54Å | 1.57Å | |
| C11 | C12 | sing | 1.54Å | 1.33Å | |
| C35 | C20 | sing | 1.53Å | 1.56Å | |
| N17 | C19 | sing | 1.35Å | 1.47Å | |
| N17 | C18 | sing | 1.48Å | 1.36Å | |
| C19 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.55Å | 1.36Å | |
| C12 | C13 | sing | 1.55Å | 1.66Å | |
| C20 | N21 | sing | 1.47Å | 1.44Å | |
| N21 | C22 | sing | 1.47Å | 1.45Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.56Å | |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.53Å | |
| C26 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.33Å | 1.36Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.32Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 114.0° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.3° | 109.5° |
| C01 | C02 | H022 | 108.3° | 109.5° |
| C02 | C03 | C04 | 103.6° | 109.4° |
| C03 | C02 | H021 | 108.3° | 109.4° |
| C03 | C02 | H022 | 108.3° | 109.4° |
| C02 | C03 | H031 | 110.9° | 109.5° |
| C02 | C03 | H032 | 110.9° | 109.5° |
| O08 | C05 | N06 | 118.9° | 120.0° |
| O08 | C05 | C04 | 122.3° | 120.0° |
| C03 | C04 | C05 | 106.9° | 109.5° |
| C03 | C04 | N09 | 109.9° | 109.5° |
| C04 | C03 | H031 | 110.9° | 109.4° |
| C04 | C03 | H032 | 110.9° | 109.4° |
| C03 | C04 | H041 | 107.9° | 109.5° |
| N06 | C05 | C04 | 118.7° | 120.0° |
| C05 | N06 | C07 | 117.7° | 120.0° |
| C05 | N06 | H061 | 121.1° | 120.0° |
| C05 | C04 | N09 | 115.2° | 109.5° |
| C05 | C04 | H041 | 108.1° | 109.5° |
| N06 | C07 | H071 | 109.5° | 109.5° |
| N06 | C07 | H073 | 109.5° | 109.4° |
| N06 | C07 | H072 | 109.5° | 109.5° |
| C07 | N06 | H061 | 121.2° | 119.9° |
| C04 | N09 | C10 | 120.7° | 119.9° |
| N09 | C04 | H041 | 108.6° | 109.5° |
| C04 | N09 | H091 | 119.6° | 120.0° |
| N09 | C10 | O40 | 120.7° | 120.1° |
| N09 | C10 | C11 | 119.0° | 120.0° |
| C10 | N09 | H091 | 119.6° | 120.0° |
| C37 | C38 | C36 | 60.8° | 60.0° |
| C38 | C37 | C36 | 60.0° | 60.0° |
| C38 | C37 | H372 | 120.0° | 117.5° |
| C38 | C37 | H371 | 120.0° | 117.6° |
| C37 | C38 | H381 | 119.9° | 117.5° |
| C37 | C38 | H382 | 119.8° | 117.6° |
| C38 | C36 | C37 | 59.3° | 60.0° |
| C38 | C36 | C35 | 115.7° | 117.5° |
| C38 | C36 | H361 | 118.7° | 117.6° |
| C36 | C38 | H381 | 119.9° | 117.5° |
| C36 | C38 | H382 | 119.9° | 117.5° |
| C37 | C36 | C35 | 112.9° | 117.5° |
| C37 | C36 | H361 | 118.5° | 117.5° |
| C36 | C37 | H372 | 120.0° | 117.5° |
| C36 | C37 | H371 | 120.0° | 117.5° |
| O40 | C10 | C11 | 120.2° | 120.0° |
| C10 | C11 | C15 | 105.7° | 111.9° |
| C10 | C11 | C18 | 116.0° | 111.9° |
| C10 | C11 | C12 | 114.8° | 111.8° |
| C36 | C35 | C20 | 113.0° | 109.5° |
| C36 | C35 | H352 | 108.6° | 109.5° |
| C36 | C35 | H351 | 108.6° | 109.5° |
| C35 | C36 | H361 | 118.2° | 115.5° |
| C15 | C16 | N17 | 110.6° | 104.7° |
| C16 | C15 | C11 | 103.2° | 104.8° |
| C16 | C15 | C14 | 114.4° | 110.3° |
| C16 | C15 | H151 | 114.1° | 112.6° |
| C15 | C16 | H161 | 109.2° | 110.4° |
| C15 | C16 | H162 | 109.2° | 110.3° |
| C16 | N17 | C19 | 124.1° | 127.8° |
| C16 | N17 | C18 | 109.1° | 104.3° |
| N17 | C16 | H161 | 109.2° | 110.4° |
| N17 | C16 | H162 | 109.2° | 110.4° |
| C11 | C15 | C14 | 104.4° | 105.4° |
| C15 | C11 | C18 | 107.2° | 104.8° |
| C15 | C11 | C12 | 106.3° | 107.2° |
| C11 | C15 | H151 | 109.9° | 111.9° |
| C15 | C14 | C13 | 106.8° | 104.7° |
| C15 | C14 | H141 | 110.1° | 110.6° |
| C15 | C14 | H142 | 110.1° | 110.0° |
| C14 | C15 | H151 | 110.1° | 111.4° |
| O39 | C19 | N17 | 121.6° | 120.0° |
| O39 | C19 | C20 | 123.3° | 120.0° |
| C18 | C11 | C12 | 106.2° | 108.9° |
| C11 | C18 | N17 | 102.1° | 104.7° |
| C11 | C18 | H181 | 111.3° | 110.4° |
| C11 | C18 | H182 | 111.3° | 110.4° |
| C11 | C12 | C13 | 104.7° | 104.3° |
| C11 | C12 | H122 | 110.7° | 110.5° |
| C11 | C12 | H121 | 110.7° | 110.4° |
| C35 | C20 | C19 | 108.2° | 109.4° |
| C35 | C20 | N21 | 103.5° | 109.5° |
| C35 | C20 | H201 | 108.4° | 109.5° |
| C20 | C35 | H352 | 108.6° | 109.5° |
| C20 | C35 | H351 | 108.6° | 109.5° |
| C19 | N17 | C18 | 126.7° | 127.9° |
| N17 | C19 | C20 | 115.1° | 120.0° |
| N17 | C18 | H181 | 111.3° | 110.4° |
| N17 | C18 | H182 | 111.3° | 110.5° |
| C19 | C20 | N21 | 117.1° | 109.5° |
| C19 | C20 | H201 | 109.2° | 109.5° |
| C14 | C13 | C12 | 105.3° | 102.8° |
| C14 | C13 | H131 | 110.5° | 110.8° |
| C14 | C13 | H132 | 110.5° | 110.9° |
| C13 | C14 | H141 | 110.1° | 110.4° |
| C13 | C14 | H142 | 110.2° | 110.5° |
| C13 | C12 | H122 | 110.7° | 110.5° |
| C13 | C12 | H121 | 110.6° | 110.5° |
| C12 | C13 | H131 | 110.5° | 110.7° |
| C12 | C13 | H132 | 110.5° | 110.7° |
| C20 | N21 | C22 | 118.8° | 111.0° |
| N21 | C20 | H201 | 110.1° | 109.4° |
| C20 | N21 | H211 | 107.1° | 111.0° |
| N21 | C22 | C23 | 114.3° | 109.5° |
| N21 | C22 | H222 | 108.2° | 109.5° |
| N21 | C22 | H221 | 108.3° | 109.5° |
| C22 | N21 | H211 | 107.1° | 111.0° |
| C25 | C24 | C23 | 120.5° | 120.1° |
| C24 | C25 | C26 | 119.1° | 119.9° |
| C25 | C24 | H241 | 119.8° | 120.0° |
| C24 | C25 | H251 | 120.4° | 120.0° |
| C24 | C23 | C22 | 123.5° | 119.8° |
| C24 | C23 | C34 | 119.1° | 120.3° |
| C23 | C24 | H241 | 119.7° | 120.0° |
| C22 | C23 | C34 | 117.3° | 119.9° |
| C23 | C22 | H222 | 108.2° | 109.5° |
| C23 | C22 | H221 | 108.2° | 109.5° |
| C25 | C26 | C27 | 119.0° | 120.1° |
| C25 | C26 | C33 | 120.6° | 119.8° |
| C26 | C25 | H251 | 120.4° | 120.1° |
| C23 | C34 | C33 | 121.0° | 120.1° |
| C23 | C34 | H341 | 119.5° | 120.0° |
| C27 | C26 | C33 | 120.4° | 120.1° |
| C26 | C27 | C32 | 119.8° | 119.7° |
| C26 | C27 | N28 | 117.5° | 119.7° |
| C26 | C33 | C34 | 119.6° | 119.8° |
| C26 | C33 | H331 | 120.2° | 120.1° |
| C34 | C33 | H331 | 120.2° | 120.1° |
| C33 | C34 | H341 | 119.5° | 119.9° |
| C27 | C32 | C31 | 115.3° | 119.1° |
| C32 | C27 | N28 | 122.7° | 120.6° |
| C27 | C32 | H321 | 122.4° | 120.5° |
| C32 | C31 | C30 | 120.6° | 118.5° |
| C32 | C31 | H311 | 119.7° | 120.7° |
| C31 | C32 | H321 | 122.4° | 120.5° |
| C27 | N28 | C29 | 123.6° | 121.6° |
| C31 | C30 | C29 | 121.5° | 119.4° |
| C31 | C30 | H301 | 119.3° | 120.4° |
| C30 | C31 | H311 | 119.7° | 120.8° |
| N28 | C29 | C30 | 116.3° | 120.9° |
| N28 | C29 | H291 | 121.9° | 119.6° |
| C30 | C29 | H291 | 121.8° | 119.5° |
| C29 | C30 | H301 | 119.3° | 120.3° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 110.5° |
| H131 | C13 | H132 | 109.5° | 110.7° |
| H141 | C14 | H142 | 109.5° | 110.4° |
| H161 | C16 | H162 | 109.4° | 110.5° |
| H181 | C18 | H182 | 109.5° | 110.3° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 115.5° |
| H381 | C38 | H382 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.7° | 120.0° |
| C01 | C02 | C03 | H022 | 120.7° | 120.0° |
| C01 | C02 | C03 | C04 | 89.6° | 180.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | H021 | H022 | 117.9° | 120.1° |
| C01 | C02 | C03 | H031 | 29.4° | 60.1° |
| C01 | C02 | C03 | H032 | 151.3° | 60.0° |
| C02 | C03 | C04 | H031 | 119.0° | 120.0° |
| C02 | C03 | C04 | H032 | 119.0° | 120.0° |
| C02 | C03 | C04 | C05 | 93.9° | 175.0° |
| C02 | C03 | C04 | N09 | 140.4° | 65.0° |
| C03 | C02 | C01 | H012 | 180.0° | 180.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C03 | C02 | H021 | H022 | 117.9° | 120.0° |
| C02 | C03 | H031 | H032 | 122.7° | 120.1° |
| C02 | C03 | C04 | H041 | 22.2° | 55.0° |
| O08 | C05 | C04 | C03 | 86.9° | 120.0° |
| O08 | C05 | N06 | C04 | 176.7° | 179.9° |
| O08 | C05 | N06 | C07 | 1.3° | 0.1° |
| O08 | C05 | C04 | N09 | 150.7° | 0.0° |
| O08 | C05 | C04 | H041 | 29.0° | 120.0° |
| O08 | C05 | N06 | H061 | 178.7° | 179.9° |
| C03 | C04 | C05 | N06 | 96.5° | 60.0° |
| C03 | C04 | C05 | N09 | 122.4° | 120.0° |
| C03 | C04 | C05 | H041 | 116.0° | 120.0° |
| C03 | C04 | N09 | H041 | 117.8° | 120.0° |
| C03 | C04 | N09 | C10 | 161.8° | 155.0° |
| C04 | C03 | C02 | H021 | 149.7° | 60.0° |
| C04 | C03 | C02 | H022 | 31.0° | 60.0° |
| C04 | C03 | H031 | H032 | 122.8° | 120.0° |
| C03 | C04 | N09 | H091 | 18.2° | 25.0° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| N06 | C05 | C04 | N09 | 25.9° | 179.9° |
| N06 | C05 | C04 | H041 | 147.6° | 60.0° |
| C05 | N06 | C07 | H071 | 180.0° | 59.9° |
| C05 | N06 | C07 | H073 | 60.0° | 60.1° |
| C05 | N06 | C07 | H072 | 60.0° | 180.0° |
| C04 | C05 | N06 | C07 | 175.4° | 180.0° |
| C05 | C04 | N09 | H041 | 121.4° | 120.0° |
| C05 | C04 | N09 | C10 | 77.5° | 85.0° |
| C05 | C04 | C03 | H031 | 147.1° | 65.0° |
| C05 | C04 | C03 | H032 | 25.1° | 55.0° |
| C04 | C05 | N06 | H061 | 4.6° | 0.0° |
| C05 | C04 | N09 | H091 | 102.5° | 95.0° |
| N06 | C07 | H071 | H073 | 120.0° | 120.0° |
| N06 | C07 | H071 | H072 | 120.0° | 120.1° |
| N06 | C07 | H073 | H072 | 120.0° | 120.0° |
| C04 | N09 | C10 | H091 | 180.0° | 180.0° |
| C04 | N09 | C10 | O40 | 4.9° | 0.0° |
| C04 | N09 | C10 | C11 | 178.6° | 180.0° |
| N09 | C04 | C03 | H031 | 21.4° | 55.0° |
| N09 | C04 | C03 | H032 | 100.5° | 175.0° |
| N09 | C10 | O40 | C11 | 176.4° | 179.9° |
| N09 | C10 | C11 | C15 | 20.6° | 178.4° |
| N09 | C10 | C11 | C18 | 98.0° | 61.1° |
| N09 | C10 | C11 | C12 | 137.5° | 61.4° |
| C10 | N09 | C04 | H041 | 43.9° | 35.0° |
| C37 | C38 | C36 | H381 | 109.7° | 107.4° |
| C37 | C38 | C36 | H382 | 109.7° | 107.5° |
| C38 | C37 | C36 | H372 | 109.5° | 107.5° |
| C38 | C37 | C36 | H371 | 109.4° | 107.6° |
| C37 | C38 | C36 | C35 | 102.5° | 107.5° |
| C37 | C38 | C36 | H361 | 107.9° | 107.5° |
| C38 | C37 | H372 | H371 | 144.7° | 145.8° |
| C37 | C38 | H381 | H382 | 144.3° | 145.7° |
| C38 | C36 | C35 | H361 | 149.7° | 145.7° |
| C38 | C36 | C35 | C20 | 163.0° | 117.0° |
| C38 | C36 | C35 | H352 | 42.5° | 3.0° |
| C38 | C36 | C35 | H351 | 76.5° | 122.9° |
| C36 | C38 | H381 | H382 | 144.3° | 145.7° |
| C37 | C36 | C35 | H361 | 144.6° | 145.6° |
| C37 | C36 | C35 | C20 | 97.3° | 174.3° |
| C37 | C36 | C35 | H352 | 23.2° | 65.6° |
| C37 | C36 | C35 | H351 | 142.2° | 54.3° |
| C36 | C37 | H372 | H371 | 144.8° | 145.6° |
| O40 | C10 | C11 | C15 | 155.9° | 1.7° |
| O40 | C10 | C11 | C18 | 85.5° | 119.0° |
| O40 | C10 | C11 | C12 | 39.0° | 118.6° |
| O40 | C10 | N09 | H091 | 175.1° | 180.0° |
| C10 | C11 | C15 | C16 | 98.8° | 121.4° |
| C10 | C11 | C15 | C18 | 124.3° | 121.4° |
| C10 | C11 | C15 | C12 | 122.4° | 123.0° |
| C10 | C11 | C15 | C14 | 141.3° | 122.1° |
| C10 | C11 | C18 | C12 | 128.8° | 124.1° |
| C10 | C11 | C18 | N17 | 89.8° | 145.4° |
| C10 | C11 | C12 | C13 | 148.1° | 98.8° |
| C10 | C11 | C12 | H122 | 28.9° | 20.0° |
| C10 | C11 | C12 | H121 | 92.7° | 142.6° |
| C10 | C11 | C15 | H151 | 23.3° | 0.9° |
| C10 | C11 | C18 | H181 | 151.4° | 95.8° |
| C10 | C11 | C18 | H182 | 29.0° | 26.5° |
| C11 | C10 | N09 | H091 | 1.4° | 0.1° |
| C36 | C35 | C20 | H352 | 120.5° | 120.0° |
| C36 | C35 | C20 | H351 | 120.5° | 120.0° |
| C36 | C35 | C20 | C19 | 42.2° | 61.2° |
| C36 | C35 | C20 | N21 | 82.6° | 58.8° |
| C36 | C35 | C20 | H201 | 160.5° | 178.8° |
| C36 | C35 | H352 | H351 | 118.4° | 120.0° |
| C35 | C36 | C37 | H372 | 143.2° | 0.0° |
| C35 | C36 | C37 | H371 | 2.1° | 144.9° |
| C35 | C36 | C38 | H381 | 7.2° | 145.0° |
| C35 | C36 | C38 | H382 | 147.8° | 0.0° |
| C15 | C16 | N17 | H161 | 120.2° | 118.8° |
| C15 | C16 | N17 | H162 | 120.2° | 118.8° |
| C16 | C15 | C11 | C14 | 119.9° | 116.4° |
| C16 | C15 | C11 | H151 | 122.1° | 122.3° |
| C16 | C15 | C14 | H151 | 130.1° | 125.8° |
| C16 | C15 | C11 | C18 | 25.6° | 0.0° |
| C16 | C15 | C11 | C12 | 138.8° | 115.6° |
| C15 | C16 | N17 | C19 | 179.2° | 140.3° |
| C15 | C16 | N17 | C18 | 4.4° | 39.8° |
| C16 | C15 | C14 | C13 | 106.4° | 135.6° |
| C16 | C15 | C14 | H141 | 13.2° | 105.4° |
| C16 | C15 | C14 | H142 | 134.0° | 16.9° |
| C15 | C16 | H161 | H162 | 119.5° | 122.3° |
| N17 | C16 | C15 | C11 | 13.3° | 24.0° |
| N17 | C16 | C15 | C14 | 99.4° | 89.0° |
| C16 | N17 | C19 | O39 | 2.2° | 176.7° |
| C16 | N17 | C18 | C11 | 19.7° | 39.8° |
| C16 | N17 | C19 | C18 | 175.8° | 180.0° |
| C16 | N17 | C19 | C20 | 176.0° | 3.3° |
| N17 | C16 | C15 | H151 | 132.5° | 145.9° |
| N17 | C16 | H161 | H162 | 119.5° | 122.5° |
| C16 | N17 | C18 | H181 | 99.1° | 158.5° |
| C16 | N17 | C18 | H182 | 138.5° | 79.1° |
| C11 | C15 | C14 | H151 | 117.9° | 121.6° |
| C15 | C11 | C18 | C12 | 113.3° | 114.4° |
| C15 | C11 | C18 | N17 | 28.0° | 23.9° |
| C11 | C15 | C14 | C13 | 5.6° | 23.0° |
| C15 | C11 | C12 | C13 | 31.6° | 24.2° |
| C15 | C11 | C12 | H122 | 87.7° | 143.0° |
| C15 | C11 | C12 | H121 | 150.8° | 94.4° |
| C11 | C15 | C14 | H141 | 125.2° | 142.0° |
| C11 | C15 | C14 | H142 | 114.0° | 95.7° |
| C11 | C15 | C16 | H161 | 106.8° | 94.8° |
| C11 | C15 | C16 | H162 | 133.5° | 142.8° |
| C15 | C11 | C18 | H181 | 90.8° | 142.7° |
| C15 | C11 | C18 | H182 | 146.9° | 95.0° |
| C14 | C15 | C11 | C18 | 94.3° | 116.4° |
| C14 | C15 | C11 | C12 | 18.9° | 0.8° |
| C15 | C14 | C13 | H141 | 119.6° | 119.1° |
| C15 | C14 | C13 | H142 | 119.6° | 118.4° |
| C15 | C14 | C13 | C12 | 23.0° | 37.8° |
| C15 | C14 | C13 | H131 | 96.3° | 80.5° |
| C15 | C14 | C13 | H132 | 142.4° | 156.2° |
| C15 | C14 | H141 | H142 | 121.2° | 122.1° |
| C14 | C15 | C16 | H161 | 140.4° | 152.2° |
| C14 | C15 | C16 | H162 | 20.7° | 29.8° |
| O39 | C19 | C20 | C35 | 104.9° | 114.1° |
| O39 | C19 | N17 | C20 | 178.2° | 180.0° |
| O39 | C19 | N17 | C18 | 178.0° | 3.3° |
| O39 | C19 | C20 | N21 | 11.4° | 5.9° |
| O39 | C19 | C20 | H201 | 137.3° | 125.9° |
| C11 | C18 | N17 | C19 | 164.0° | 140.3° |
| C11 | C18 | N17 | H181 | 118.8° | 118.8° |
| C11 | C18 | N17 | H182 | 118.8° | 118.9° |
| C18 | C11 | C12 | C13 | 82.3° | 137.1° |
| C18 | C11 | C12 | H122 | 158.4° | 104.1° |
| C18 | C11 | C12 | H121 | 36.9° | 18.5° |
| C18 | C11 | C15 | H151 | 147.7° | 122.3° |
| C11 | C18 | H181 | H182 | 123.4° | 122.3° |
| C12 | C11 | C18 | N17 | 141.4° | 90.5° |
| C11 | C12 | C13 | C14 | 36.9° | 38.2° |
| C11 | C12 | C13 | H122 | 119.2° | 118.7° |
| C11 | C12 | C13 | H121 | 119.2° | 118.6° |
| C11 | C12 | H122 | H121 | 122.2° | 122.5° |
| C11 | C12 | C13 | H131 | 82.5° | 80.2° |
| C11 | C12 | C13 | H132 | 156.2° | 156.7° |
| C12 | C11 | C15 | H151 | 99.1° | 122.1° |
| C12 | C11 | C18 | H181 | 22.6° | 28.3° |
| C12 | C11 | C18 | H182 | 99.8° | 150.6° |
| C35 | C20 | C19 | N17 | 76.9° | 65.9° |
| C35 | C20 | C19 | N21 | 116.3° | 120.0° |
| C35 | C20 | C19 | H201 | 117.8° | 120.0° |
| C35 | C20 | N21 | H201 | 115.7° | 120.0° |
| C35 | C20 | N21 | C22 | 116.1° | 85.9° |
| C20 | C35 | H352 | H351 | 118.4° | 120.0° |
| C20 | C35 | C36 | H361 | 47.2° | 28.7° |
| C35 | C20 | N21 | H211 | 5.2° | 38.1° |
| N17 | C19 | C20 | N21 | 166.8° | 174.1° |
| C19 | N17 | C16 | H161 | 59.0° | 101.0° |
| C19 | N17 | C16 | H162 | 60.7° | 21.5° |
| C19 | N17 | C18 | H181 | 77.2° | 21.5° |
| C19 | N17 | C18 | H182 | 45.2° | 100.9° |
| N17 | C19 | C20 | H201 | 40.9° | 54.1° |
| C18 | N17 | C19 | C20 | 0.2° | 176.7° |
| C18 | N17 | C16 | H161 | 124.6° | 79.0° |
| C18 | N17 | C16 | H162 | 115.8° | 158.5° |
| N17 | C18 | H181 | H182 | 123.4° | 122.5° |
| C19 | C20 | N21 | H201 | 125.5° | 120.0° |
| C19 | C20 | N21 | C22 | 125.1° | 154.2° |
| C19 | C20 | C35 | H352 | 78.3° | 178.8° |
| C19 | C20 | C35 | H351 | 162.7° | 58.9° |
| C19 | C20 | N21 | H211 | 113.6° | 81.8° |
| C14 | C13 | C12 | H131 | 119.3° | 118.4° |
| C14 | C13 | C12 | H132 | 119.3° | 118.5° |
| C14 | C13 | C12 | H122 | 82.4° | 156.9° |
| C14 | C13 | C12 | H121 | 156.1° | 80.4° |
| C14 | C13 | H131 | H132 | 121.9° | 123.4° |
| C13 | C14 | H141 | H142 | 121.3° | 122.5° |
| C13 | C14 | C15 | H151 | 123.5° | 98.6° |
| C13 | C12 | H122 | H121 | 122.2° | 122.6° |
| C12 | C13 | H131 | H132 | 121.9° | 123.2° |
| C12 | C13 | C14 | H141 | 142.6° | 156.9° |
| C12 | C13 | C14 | H142 | 96.5° | 80.6° |
| C20 | N21 | C22 | H211 | 121.3° | 124.0° |
| C20 | N21 | C22 | C23 | 53.7° | 174.8° |
| C20 | N21 | C22 | H222 | 174.4° | 65.2° |
| C20 | N21 | C22 | H221 | 67.0° | 54.8° |
| N21 | C20 | C35 | H352 | 156.9° | 61.2° |
| N21 | C20 | C35 | H351 | 37.9° | 178.8° |
| N21 | C22 | C23 | C24 | 34.3° | 89.7° |
| N21 | C22 | C23 | H222 | 120.7° | 120.0° |
| N21 | C22 | C23 | H221 | 120.7° | 120.0° |
| N21 | C22 | C23 | C34 | 147.8° | 90.0° |
| C22 | N21 | C20 | H201 | 0.4° | 34.1° |
| N21 | C22 | H222 | H221 | 117.8° | 120.0° |
| C25 | C24 | C23 | H241 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 180.0° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C25 | C24 | C23 | C34 | 2.2° | 0.2° |
| C24 | C25 | C26 | C27 | 177.4° | 180.0° |
| C24 | C25 | C26 | C33 | 1.2° | 0.1° |
| C24 | C23 | C22 | C34 | 177.9° | 179.8° |
| C23 | C24 | C25 | C26 | 0.8° | 0.0° |
| C24 | C23 | C34 | C33 | 1.5° | 0.5° |
| C24 | C23 | C22 | H222 | 86.4° | 30.3° |
| C24 | C23 | C22 | H221 | 155.1° | 150.2° |
| C23 | C24 | C25 | H251 | 179.2° | 180.0° |
| C24 | C23 | C34 | H341 | 178.4° | 179.7° |
| C22 | C23 | C34 | C33 | 179.5° | 179.8° |
| C23 | C22 | H222 | H221 | 117.8° | 120.0° |
| C22 | C23 | C24 | H241 | 0.0° | 0.1° |
| C22 | C23 | C34 | H341 | 0.5° | 0.0° |
| C23 | C22 | N21 | H211 | 67.6° | 61.2° |
| C25 | C26 | C27 | C33 | 178.6° | 179.9° |
| C25 | C26 | C33 | C34 | 1.9° | 0.3° |
| C25 | C26 | C27 | C32 | 49.8° | 179.7° |
| C25 | C26 | C27 | N28 | 127.7° | 0.1° |
| C26 | C25 | C24 | H241 | 179.2° | 180.0° |
| C25 | C26 | C33 | H331 | 178.2° | 180.0° |
| C23 | C34 | C33 | C26 | 0.5° | 0.5° |
| C23 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C23 | C22 | H222 | 91.5° | 149.9° |
| C34 | C23 | C22 | H221 | 27.1° | 30.0° |
| C34 | C23 | C24 | H241 | 177.8° | 179.8° |
| C23 | C34 | C33 | H331 | 179.6° | 179.8° |
| C27 | C26 | C33 | C34 | 176.7° | 179.7° |
| C26 | C27 | C32 | N28 | 177.4° | 179.8° |
| C26 | C27 | C32 | C31 | 179.4° | 180.0° |
| C26 | C27 | N28 | C29 | 178.3° | 180.0° |
| C27 | C26 | C25 | H251 | 2.6° | 0.0° |
| C26 | C27 | C32 | H321 | 0.5° | 0.0° |
| C27 | C26 | C33 | H331 | 3.2° | 0.1° |
| C26 | C33 | C34 | H331 | 180.0° | 179.7° |
| C33 | C26 | C27 | C32 | 131.6° | 0.2° |
| C33 | C26 | C27 | N28 | 50.9° | 180.0° |
| C33 | C26 | C25 | H251 | 178.8° | 179.9° |
| C26 | C33 | C34 | H341 | 179.6° | 179.7° |
| C27 | C32 | C31 | H321 | 180.0° | 180.0° |
| C27 | C32 | C31 | C30 | 2.1° | 0.1° |
| C32 | C27 | N28 | C29 | 0.9° | 0.3° |
| C27 | C32 | C31 | H311 | 177.9° | 179.7° |
| C31 | C32 | C27 | N28 | 2.1° | 0.2° |
| C32 | C31 | C30 | H311 | 180.0° | 179.6° |
| C32 | C31 | C30 | C29 | 1.0° | 0.3° |
| C32 | C31 | C30 | H301 | 179.0° | 180.0° |
| C27 | N28 | C29 | C30 | 0.3° | 0.0° |
| C27 | N28 | C29 | H291 | 179.7° | 180.0° |
| N28 | C27 | C32 | H321 | 177.9° | 179.7° |
| C31 | C30 | C29 | N28 | 0.3° | 0.3° |
| C31 | C30 | C29 | H301 | 180.0° | 179.7° |
| C31 | C30 | C29 | H291 | 179.8° | 179.7° |
| C30 | C31 | C32 | H321 | 177.9° | 180.0° |
| N28 | C29 | C30 | H291 | 180.0° | 180.0° |
| N28 | C29 | C30 | H301 | 179.7° | 180.0° |
| C29 | C30 | C31 | H311 | 179.0° | 179.9° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 59.3° | 60.1° |
| H012 | C01 | C02 | H022 | 59.3° | 60.1° |
| H011 | C01 | C02 | H021 | 60.7° | 59.9° |
| H011 | C01 | C02 | H022 | 179.3° | 180.0° |
| H013 | C01 | C02 | H021 | 179.3° | 180.0° |
| H013 | C01 | C02 | H022 | 60.7° | 59.9° |
| H021 | C02 | C03 | H031 | 91.2° | 180.0° |
| H021 | C02 | C03 | H032 | 30.7° | 59.9° |
| H022 | C02 | C03 | H031 | 150.1° | 59.9° |
| H022 | C02 | C03 | H032 | 88.0° | 180.0° |
| H031 | C03 | C04 | H041 | 96.9° | 175.0° |
| H032 | C03 | C04 | H041 | 141.2° | 65.0° |
| H041 | C04 | N09 | H091 | 136.1° | 145.0° |
| H071 | C07 | H073 | H072 | 120.0° | 120.0° |
| H071 | C07 | N06 | H061 | 0.0° | 120.1° |
| H073 | C07 | N06 | H061 | 120.0° | 119.9° |
| H072 | C07 | N06 | H061 | 120.0° | 0.0° |
| H122 | C12 | C13 | H131 | 158.3° | 38.5° |
| H122 | C12 | C13 | H132 | 37.0° | 84.6° |
| H121 | C12 | C13 | H131 | 36.8° | 161.2° |
| H121 | C12 | C13 | H132 | 84.6° | 38.0° |
| H131 | C13 | C14 | H141 | 23.3° | 38.6° |
| H131 | C13 | C14 | H142 | 144.1° | 161.1° |
| H132 | C13 | C14 | H141 | 98.1° | 84.7° |
| H132 | C13 | C14 | H142 | 22.8° | 37.7° |
| H141 | C14 | C15 | H151 | 116.9° | 20.3° |
| H142 | C14 | C15 | H151 | 3.9° | 142.6° |
| H151 | C15 | C16 | H161 | 12.3° | 27.1° |
| H151 | C15 | C16 | H162 | 107.3° | 95.3° |
| H201 | C20 | C35 | H352 | 40.0° | 58.7° |
| H201 | C20 | C35 | H351 | 79.0° | 61.2° |
| H201 | C20 | N21 | H211 | 120.9° | 158.1° |
| H222 | C22 | N21 | H211 | 53.1° | 58.8° |
| H221 | C22 | N21 | H211 | 171.6° | 178.8° |
| H241 | C24 | C25 | H251 | 0.8° | 0.0° |
| H291 | C29 | C30 | H301 | 0.2° | 0.0° |
| H301 | C30 | C31 | H311 | 1.0° | 0.4° |
| H311 | C31 | C32 | H321 | 2.1° | 0.4° |
| H331 | C33 | C34 | H341 | 0.4° | 0.0° |
| H352 | C35 | C36 | H361 | 167.8° | 148.7° |
| H351 | C35 | C36 | H361 | 73.3° | 91.4° |
| H361 | C36 | C37 | H372 | 1.2° | 144.9° |
| H361 | C36 | C37 | H371 | 142.3° | 0.0° |
| H361 | C36 | C38 | H381 | 142.4° | 0.1° |
| H361 | C36 | C38 | H382 | 1.8° | 145.0° |
| H372 | C37 | C38 | H381 | 140.9° | 145.0° |
| H372 | C37 | C38 | H382 | 0.2° | 0.1° |
| H371 | C37 | C38 | H381 | 0.2° | 0.0° |
| H371 | C37 | C38 | H382 | 140.9° | 145.0° |
