A1AHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.47Å | 1.43Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C09 | C06 | sing | 1.51Å | 1.53Å | |
| C11 | N10 | sing | 1.47Å | 1.43Å | |
| C14 | N13 | sing | 1.41Å | 1.44Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C17 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C23 | N22 | sing | 1.47Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.51Å | 1.50Å | |
| C28 | N27 | sing | 1.46Å | 1.44Å | |
| N27 | C26 | sing | 1.37Å | 1.44Å | |
| O29 | C26 | doub | 1.21Å | 1.17Å | |
| N22 | C21 | sing | 1.36Å | 1.45Å | |
| O30 | C21 | doub | 1.21Å | 1.18Å | |
| N13 | C12 | sing | 1.36Å | 1.43Å | |
| O31 | C12 | doub | 1.21Å | 1.17Å | |
| C12 | C11 | sing | 1.50Å | 1.51Å | |
| C32 | C11 | sing | 1.53Å | 1.52Å | |
| C33 | C32 | sing | 1.50Å | 1.51Å | |
| C34 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.38Å | Aromatic |
| C39 | C36 | sing | 1.48Å | 1.51Å | |
| C40 | C39 | doub | 1.40Å | 1.37Å | Aromatic |
| C41 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C43 | N42 | sing | 1.35Å | 1.46Å | |
| O44 | C43 | doub | 1.21Å | 1.18Å | |
| N42 | C41 | sing | 1.40Å | 1.44Å | |
| C45 | C41 | doub | 1.39Å | 1.38Å | Aromatic |
| C46 | C45 | sing | 1.51Å | 1.51Å | |
| C47 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C48 | C47 | doub | 1.38Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.35Å | 1.44Å | |
| O49 | C09 | doub | 1.21Å | 1.18Å | |
| C03 | C08 | sing | 1.53Å | 1.52Å | |
| C14 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C43 | sing | 1.51Å | 1.53Å | |
| C33 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 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 | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| N42 | H421 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 107.7° | 109.5° |
| N01 | C02 | H022 | 109.9° | 109.4° |
| N01 | C02 | H021 | 109.9° | 109.4° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C02 | N01 | H012 | 109.5° | 111.1° |
| C02 | C03 | C04 | 108.1° | 109.5° |
| C02 | C03 | C08 | 108.6° | 109.5° |
| C03 | C02 | H022 | 109.9° | 109.5° |
| C03 | C02 | H021 | 109.9° | 109.5° |
| C02 | C03 | H031 | 109.3° | 109.4° |
| C03 | C04 | C05 | 111.0° | 109.4° |
| C04 | C03 | C08 | 112.1° | 109.5° |
| C04 | C03 | H031 | 109.3° | 109.5° |
| C03 | C04 | H041 | 109.1° | 109.5° |
| C03 | C04 | H042 | 109.1° | 109.5° |
| C04 | C05 | C06 | 110.3° | 109.5° |
| C05 | C04 | H041 | 109.1° | 109.5° |
| C05 | C04 | H042 | 109.1° | 109.4° |
| C04 | C05 | H051 | 109.2° | 109.5° |
| C04 | C05 | H052 | 109.3° | 109.4° |
| C05 | C06 | C07 | 111.0° | 109.5° |
| C05 | C06 | C09 | 110.5° | 109.5° |
| C06 | C05 | H051 | 109.3° | 109.5° |
| C06 | C05 | H052 | 109.3° | 109.5° |
| C05 | C06 | H061 | 108.8° | 109.5° |
| C08 | C07 | C06 | 109.3° | 109.5° |
| C07 | C08 | C03 | 109.9° | 109.5° |
| C08 | C07 | H071 | 109.5° | 109.5° |
| C08 | C07 | H072 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.3° | 109.4° |
| C07 | C08 | H082 | 109.4° | 109.4° |
| C07 | C06 | C09 | 108.8° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.4° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C06 | C09 | N10 | 116.1° | 120.0° |
| C06 | C09 | O49 | 122.7° | 120.0° |
| C09 | C06 | H061 | 108.8° | 109.5° |
| N10 | C11 | C12 | 108.9° | 109.6° |
| N10 | C11 | C32 | 109.5° | 109.6° |
| C11 | N10 | C09 | 120.3° | 120.0° |
| N10 | C11 | H111 | 111.1° | 109.6° |
| C11 | N10 | H101 | 119.8° | 120.0° |
| N13 | C14 | C15 | 124.6° | 120.8° |
| C14 | N13 | C12 | 157.0° | 117.7° |
| N13 | C14 | C19 | 115.3° | 118.9° |
| C14 | N13 | H131 | 101.5° | 121.1° |
| C14 | C15 | C16 | 119.1° | 119.0° |
| C15 | C14 | C19 | 120.1° | 120.2° |
| C14 | C15 | H151 | 120.4° | 120.5° |
| C15 | C16 | C17 | 120.0° | 121.0° |
| C16 | C15 | H151 | 120.4° | 120.5° |
| C15 | C16 | H161 | 120.0° | 119.5° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | C20 | 123.0° | 120.2° |
| C17 | C16 | H161 | 120.0° | 119.6° |
| C19 | C18 | C17 | 120.1° | 119.4° |
| C18 | C19 | C14 | 120.6° | 120.5° |
| C19 | C18 | H181 | 119.9° | 120.3° |
| C18 | C19 | H191 | 119.7° | 119.7° |
| C18 | C17 | C20 | 116.9° | 119.8° |
| C17 | C18 | H181 | 119.9° | 120.3° |
| C17 | C20 | C21 | 111.4° | 109.5° |
| C17 | C20 | H202 | 109.0° | 109.5° |
| C17 | C20 | H201 | 109.0° | 109.5° |
| C20 | C21 | N22 | 114.8° | 119.4° |
| C20 | C21 | O30 | 119.4° | 120.3° |
| C21 | C20 | H202 | 109.0° | 109.4° |
| C21 | C20 | H201 | 109.0° | 109.5° |
| N22 | C23 | C24 | 117.2° | 110.1° |
| C23 | N22 | C21 | 129.2° | 116.6° |
| N22 | C23 | H232 | 107.5° | 109.4° |
| N22 | C23 | H231 | 107.5° | 109.3° |
| C23 | N22 | H221 | 115.4° | 121.7° |
| C23 | C24 | C25 | 113.1° | 109.3° |
| C24 | C23 | H232 | 107.5° | 109.4° |
| C24 | C23 | H231 | 107.5° | 109.3° |
| C23 | C24 | H241 | 108.5° | 109.5° |
| C23 | C24 | H242 | 108.5° | 109.5° |
| C24 | C25 | C26 | 103.1° | 110.3° |
| C25 | C24 | H241 | 108.6° | 109.5° |
| C25 | C24 | H242 | 108.6° | 109.5° |
| C24 | C25 | H252 | 111.0° | 109.3° |
| C24 | C25 | H251 | 111.0° | 109.3° |
| C25 | C26 | N27 | 118.9° | 119.0° |
| C25 | C26 | O29 | 119.3° | 120.5° |
| C26 | C25 | H252 | 111.1° | 109.4° |
| C26 | C25 | H251 | 111.0° | 109.2° |
| C28 | N27 | C26 | 118.4° | 116.0° |
| N27 | C28 | C43 | 104.9° | 108.5° |
| N27 | C28 | H282 | 110.6° | 109.6° |
| N27 | C28 | H281 | 110.6° | 109.6° |
| C28 | N27 | H271 | 120.8° | 122.1° |
| N27 | C26 | O29 | 121.7° | 120.5° |
| C26 | N27 | H271 | 120.8° | 121.9° |
| N22 | C21 | O30 | 125.8° | 120.3° |
| C21 | N22 | H221 | 115.4° | 121.8° |
| N13 | C12 | O31 | 117.8° | 118.8° |
| N13 | C12 | C11 | 122.0° | 122.4° |
| C12 | N13 | H131 | 101.5° | 121.1° |
| O31 | C12 | C11 | 120.0° | 118.8° |
| C12 | C11 | C32 | 107.3° | 108.7° |
| C12 | C11 | H111 | 110.0° | 109.6° |
| C11 | C32 | C33 | 107.5° | 109.9° |
| C32 | C11 | H111 | 109.9° | 109.7° |
| C11 | C32 | H321 | 110.0° | 109.5° |
| C11 | C32 | H322 | 109.9° | 109.4° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C32 | C33 | C38 | 119.2° | 119.9° |
| C33 | C32 | H321 | 110.0° | 109.4° |
| C33 | C32 | H322 | 109.9° | 109.3° |
| C33 | C34 | C35 | 119.8° | 119.9° |
| C34 | C33 | C38 | 120.5° | 120.1° |
| C33 | C34 | H341 | 120.1° | 120.1° |
| C34 | C35 | C36 | 120.0° | 120.3° |
| C35 | C34 | H341 | 120.1° | 120.1° |
| C34 | C35 | H351 | 120.0° | 119.8° |
| C35 | C36 | C37 | 119.7° | 119.7° |
| C35 | C36 | C39 | 121.4° | 122.3° |
| C36 | C35 | H351 | 120.0° | 119.8° |
| C38 | C37 | C36 | 120.2° | 119.4° |
| C37 | C38 | C33 | 119.8° | 120.5° |
| C38 | C37 | H371 | 119.9° | 120.3° |
| C37 | C38 | H381 | 120.1° | 119.8° |
| C37 | C36 | C39 | 118.9° | 117.9° |
| C36 | C37 | H371 | 119.9° | 120.3° |
| C36 | C39 | C40 | 118.4° | 116.5° |
| C36 | C39 | C48 | 121.7° | 123.6° |
| C39 | C40 | C41 | 120.6° | 119.4° |
| C40 | C39 | C48 | 119.7° | 119.9° |
| C39 | C40 | H401 | 119.7° | 120.3° |
| C40 | C41 | N42 | 117.4° | 118.4° |
| C40 | C41 | C45 | 119.9° | 120.2° |
| C41 | C40 | H401 | 119.7° | 120.3° |
| N42 | C43 | O44 | 120.2° | 119.6° |
| C43 | N42 | C41 | 122.0° | 118.8° |
| N42 | C43 | C28 | 120.4° | 120.7° |
| C43 | N42 | H421 | 119.0° | 120.6° |
| O44 | C43 | C28 | 119.4° | 119.7° |
| N42 | C41 | C45 | 122.7° | 121.4° |
| C41 | N42 | H421 | 119.0° | 120.6° |
| C41 | C45 | C46 | 120.7° | 119.9° |
| C41 | C45 | C47 | 119.8° | 120.2° |
| C46 | C45 | C47 | 119.5° | 119.9° |
| C45 | C46 | H462 | 109.5° | 109.5° |
| C45 | C46 | H461 | 109.5° | 109.5° |
| C45 | C46 | H463 | 109.4° | 109.5° |
| C45 | C47 | C48 | 120.2° | 119.9° |
| C45 | C47 | H471 | 119.9° | 120.1° |
| C47 | C48 | C39 | 119.8° | 120.3° |
| C48 | C47 | H471 | 119.9° | 120.0° |
| C47 | C48 | H481 | 120.1° | 119.9° |
| N10 | C09 | O49 | 121.2° | 120.0° |
| C09 | N10 | H101 | 119.9° | 120.0° |
| C08 | C03 | H031 | 109.4° | 109.5° |
| C03 | C08 | H081 | 109.3° | 109.5° |
| C03 | C08 | H082 | 109.3° | 109.5° |
| C14 | C19 | H191 | 119.7° | 119.8° |
| C43 | C28 | H282 | 110.6° | 109.8° |
| C43 | C28 | H281 | 110.6° | 109.6° |
| C33 | C38 | H381 | 120.1° | 119.7° |
| C39 | C48 | H481 | 120.1° | 119.8° |
| H022 | C02 | H021 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 109.3° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.3° |
| H282 | C28 | H281 | 109.5° | 109.7° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H462 | C46 | H461 | 109.4° | 109.4° |
| H462 | C46 | H463 | 109.5° | 109.5° |
| H461 | C46 | H463 | 109.5° | 109.5° |
| H011 | N01 | H012 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H022 | 119.7° | 120.0° |
| N01 | C02 | C03 | H021 | 119.7° | 120.0° |
| N01 | C02 | C03 | C04 | 115.6° | 65.2° |
| N01 | C02 | C03 | C08 | 122.6° | 174.8° |
| N01 | C02 | H022 | H021 | 120.8° | 119.9° |
| N01 | C02 | C03 | H031 | 3.3° | 54.8° |
| C02 | N01 | H011 | H012 | 120.0° | 124.1° |
| C02 | C03 | C04 | C08 | 119.6° | 120.0° |
| C02 | C03 | C04 | H031 | 118.9° | 119.9° |
| C02 | C03 | C04 | C05 | 174.1° | 180.0° |
| C02 | C03 | C08 | C07 | 176.0° | 180.0° |
| C02 | C03 | C08 | H031 | 119.2° | 120.0° |
| C03 | C02 | H022 | H021 | 120.8° | 120.0° |
| C02 | C03 | C04 | H041 | 65.7° | 60.0° |
| C02 | C03 | C04 | H042 | 53.8° | 60.1° |
| C02 | C03 | C08 | H081 | 64.0° | 60.0° |
| C02 | C03 | C08 | H082 | 55.9° | 60.0° |
| C03 | C02 | N01 | H011 | 180.0° | 56.0° |
| C03 | C02 | N01 | H012 | 60.0° | 179.9° |
| C03 | C04 | C05 | H041 | 120.2° | 120.0° |
| C03 | C04 | C05 | H042 | 120.2° | 119.9° |
| C03 | C04 | C05 | C06 | 54.3° | 60.0° |
| C04 | C03 | C08 | C07 | 56.6° | 60.0° |
| C04 | C03 | C08 | H031 | 121.4° | 120.0° |
| C04 | C03 | C02 | H022 | 4.1° | 174.8° |
| C04 | C03 | C02 | H021 | 124.7° | 54.8° |
| C03 | C04 | H041 | H042 | 119.3° | 120.0° |
| C03 | C04 | C05 | H051 | 65.9° | 60.1° |
| C03 | C04 | C05 | H052 | 174.4° | 180.0° |
| C04 | C03 | C08 | H081 | 176.7° | 60.0° |
| C04 | C03 | C08 | H082 | 63.4° | 180.0° |
| C04 | C05 | C06 | H051 | 120.1° | 120.0° |
| C04 | C05 | C06 | H052 | 120.1° | 119.9° |
| C04 | C05 | C06 | C07 | 57.9° | 60.0° |
| C04 | C05 | C06 | C09 | 178.7° | 180.0° |
| C05 | C04 | C03 | C08 | 54.4° | 60.0° |
| C05 | C04 | C03 | H031 | 67.0° | 60.1° |
| C05 | C04 | H041 | H042 | 119.3° | 120.0° |
| C04 | C05 | H051 | H052 | 119.6° | 119.9° |
| C04 | C05 | C06 | H061 | 61.9° | 60.0° |
| C05 | C06 | C07 | C08 | 60.2° | 59.9° |
| C05 | C06 | C07 | C09 | 121.8° | 120.0° |
| C05 | C06 | C07 | H061 | 119.8° | 120.0° |
| C05 | C06 | C09 | H061 | 119.4° | 120.0° |
| C05 | C06 | C09 | N10 | 138.0° | 176.1° |
| C05 | C06 | C09 | O49 | 41.5° | 3.9° |
| C06 | C05 | C04 | H041 | 174.5° | 180.0° |
| C06 | C05 | C04 | H042 | 66.0° | 60.0° |
| C06 | C05 | H051 | H052 | 119.7° | 120.1° |
| C05 | C06 | C07 | H071 | 179.9° | 60.0° |
| C05 | C06 | C07 | H072 | 59.8° | 180.0° |
| C08 | C07 | C06 | H071 | 120.0° | 119.9° |
| C08 | C07 | C06 | H072 | 120.0° | 120.1° |
| C08 | C07 | C06 | C09 | 178.0° | 180.0° |
| C07 | C08 | C03 | H081 | 120.1° | 120.0° |
| C07 | C08 | C03 | H082 | 120.1° | 120.0° |
| C07 | C08 | C03 | H031 | 64.8° | 60.0° |
| C08 | C07 | C06 | H061 | 59.6° | 60.1° |
| C08 | C07 | H071 | H072 | 120.1° | 120.1° |
| C07 | C08 | H081 | H082 | 119.8° | 119.9° |
| C07 | C06 | C09 | H061 | 118.5° | 119.9° |
| C07 | C06 | C09 | N10 | 99.9° | 56.1° |
| C07 | C06 | C09 | O49 | 80.6° | 123.9° |
| C06 | C07 | C08 | C03 | 58.7° | 59.9° |
| C07 | C06 | C05 | H051 | 62.2° | 60.1° |
| C07 | C06 | C05 | H052 | 178.1° | 179.9° |
| C06 | C07 | H071 | H072 | 120.1° | 120.0° |
| C06 | C07 | C08 | H081 | 178.7° | 60.1° |
| C06 | C07 | C08 | H082 | 61.4° | 180.0° |
| C06 | C09 | N10 | C11 | 179.6° | 175.1° |
| C06 | C09 | N10 | O49 | 179.5° | 180.0° |
| C09 | C06 | C05 | H051 | 58.6° | 60.0° |
| C09 | C06 | C05 | H052 | 61.1° | 60.1° |
| C09 | C06 | C07 | H071 | 58.1° | 60.0° |
| C09 | C06 | C07 | H072 | 62.0° | 59.9° |
| C06 | C09 | N10 | H101 | 0.4° | 4.8° |
| N10 | C11 | C12 | N13 | 149.2° | 19.0° |
| N10 | C11 | C12 | O31 | 25.8° | 161.1° |
| N10 | C11 | C12 | C32 | 118.4° | 119.8° |
| N10 | C11 | C12 | H111 | 122.1° | 120.3° |
| N10 | C11 | C32 | H111 | 122.4° | 120.4° |
| N10 | C11 | C32 | C33 | 179.3° | 55.9° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | O49 | 0.1° | 4.9° |
| N10 | C11 | C32 | H321 | 59.6° | 64.3° |
| N10 | C11 | C32 | H322 | 61.0° | 175.8° |
| N13 | C14 | C15 | C19 | 176.8° | 178.4° |
| N13 | C14 | C15 | C16 | 178.5° | 178.2° |
| N13 | C14 | C19 | C18 | 178.9° | 178.9° |
| C14 | N13 | C12 | H131 | 180.0° | 180.0° |
| C14 | N13 | C12 | O31 | 19.8° | 158.6° |
| C14 | N13 | C12 | C11 | 165.1° | 21.4° |
| N13 | C14 | C15 | H151 | 1.6° | 1.8° |
| N13 | C14 | C19 | H191 | 1.1° | 1.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.0° |
| C15 | C14 | C19 | C18 | 1.8° | 0.5° |
| C15 | C14 | N13 | C12 | 159.1° | 23.6° |
| C14 | C15 | C16 | H161 | 179.3° | 180.0° |
| C15 | C14 | C19 | H191 | 178.3° | 179.5° |
| C15 | C14 | N13 | H131 | 20.9° | 156.4° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.8° |
| C15 | C16 | C17 | C20 | 179.6° | 178.2° |
| C16 | C15 | C14 | C19 | 1.6° | 0.2° |
| C16 | C17 | C18 | C19 | 0.0° | 1.5° |
| C16 | C17 | C18 | C20 | 179.5° | 179.0° |
| C16 | C17 | C20 | C21 | 62.1° | 126.7° |
| C17 | C16 | C15 | H151 | 179.3° | 180.0° |
| C16 | C17 | C18 | H181 | 180.0° | 178.5° |
| C16 | C17 | C20 | H202 | 177.7° | 6.7° |
| C16 | C17 | C20 | H201 | 58.2° | 113.3° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | C20 | 179.5° | 177.5° |
| C18 | C19 | C14 | H191 | 180.0° | 179.9° |
| C18 | C17 | C20 | C21 | 117.4° | 54.3° |
| C17 | C18 | C19 | C14 | 1.0° | 1.3° |
| C18 | C17 | C16 | H161 | 179.9° | 179.2° |
| C17 | C18 | C19 | H191 | 179.1° | 178.6° |
| C18 | C17 | C20 | H202 | 2.9° | 174.3° |
| C18 | C17 | C20 | H201 | 122.3° | 65.7° |
| C17 | C20 | C21 | H202 | 120.3° | 120.1° |
| C17 | C20 | C21 | H201 | 120.3° | 120.0° |
| C17 | C20 | C21 | N22 | 108.2° | 123.2° |
| C17 | C20 | C21 | O30 | 71.1° | 56.8° |
| C20 | C17 | C16 | H161 | 0.5° | 1.8° |
| C20 | C17 | C18 | H181 | 0.5° | 2.5° |
| C17 | C20 | H202 | H201 | 119.1° | 120.0° |
| C20 | C21 | N22 | C23 | 179.3° | 0.6° |
| C20 | C21 | N22 | O30 | 179.2° | 179.9° |
| C21 | C20 | H202 | H201 | 119.1° | 120.0° |
| C20 | C21 | N22 | H221 | 0.7° | 179.4° |
| N22 | C23 | C24 | H232 | 121.1° | 120.2° |
| N22 | C23 | C24 | H231 | 121.1° | 120.1° |
| N22 | C23 | C24 | C25 | 70.7° | 152.5° |
| C23 | N22 | C21 | H221 | 180.0° | 180.0° |
| C23 | N22 | C21 | O30 | 0.1° | 179.3° |
| N22 | C23 | H232 | H231 | 116.5° | 119.7° |
| N22 | C23 | C24 | H241 | 168.8° | 87.6° |
| N22 | C23 | C24 | H242 | 49.9° | 32.5° |
| C23 | C24 | C25 | H241 | 120.5° | 119.9° |
| C23 | C24 | C25 | H242 | 120.5° | 120.0° |
| C23 | C24 | C25 | C26 | 154.6° | 138.5° |
| C24 | C23 | N22 | C21 | 11.1° | 165.3° |
| C24 | C23 | H232 | H231 | 116.5° | 119.6° |
| C23 | C24 | H241 | H242 | 118.3° | 120.1° |
| C23 | C24 | C25 | H252 | 35.6° | 18.2° |
| C23 | C24 | C25 | H251 | 86.4° | 101.4° |
| C24 | C23 | N22 | H221 | 168.9° | 14.7° |
| C24 | C25 | C26 | H252 | 119.0° | 120.3° |
| C24 | C25 | C26 | H251 | 119.0° | 120.2° |
| C24 | C25 | C26 | N27 | 107.1° | 172.0° |
| C24 | C25 | C26 | O29 | 70.3° | 8.0° |
| C25 | C24 | C23 | H232 | 50.4° | 87.2° |
| C25 | C24 | C23 | H231 | 168.2° | 32.4° |
| C25 | C24 | H241 | H242 | 118.4° | 120.1° |
| C24 | C25 | H252 | H251 | 122.9° | 119.7° |
| C25 | C26 | N27 | C28 | 176.4° | 179.5° |
| C25 | C26 | N27 | O29 | 177.3° | 180.0° |
| C26 | C25 | C24 | H241 | 84.9° | 101.6° |
| C26 | C25 | C24 | H242 | 34.1° | 18.5° |
| C26 | C25 | H252 | H251 | 123.0° | 119.5° |
| C25 | C26 | N27 | H271 | 3.5° | 0.6° |
| C28 | N27 | C26 | H271 | 180.0° | 179.9° |
| C28 | N27 | C26 | O29 | 0.9° | 0.4° |
| N27 | C28 | C43 | N42 | 18.3° | 147.9° |
| N27 | C28 | C43 | O44 | 161.1° | 32.2° |
| N27 | C28 | C43 | H282 | 119.3° | 119.8° |
| N27 | C28 | C43 | H281 | 119.3° | 119.6° |
| N27 | C28 | H282 | H281 | 122.1° | 120.4° |
| C26 | N27 | C28 | C43 | 75.7° | 92.3° |
| N27 | C26 | C25 | H252 | 11.9° | 67.7° |
| N27 | C26 | C25 | H251 | 133.9° | 51.9° |
| C26 | N27 | C28 | H282 | 165.0° | 27.6° |
| C26 | N27 | C28 | H281 | 43.5° | 148.1° |
| O29 | C26 | C25 | H252 | 170.8° | 112.2° |
| O29 | C26 | C25 | H251 | 48.7° | 128.2° |
| O29 | C26 | N27 | H271 | 179.2° | 179.4° |
| N22 | C21 | C20 | H202 | 131.5° | 3.2° |
| N22 | C21 | C20 | H201 | 12.1° | 116.8° |
| C21 | N22 | C23 | H232 | 132.1° | 74.5° |
| C21 | N22 | C23 | H231 | 110.1° | 45.2° |
| O30 | C21 | C20 | H202 | 49.2° | 176.9° |
| O30 | C21 | C20 | H201 | 168.6° | 63.2° |
| O30 | C21 | N22 | H221 | 179.9° | 0.6° |
| N13 | C12 | O31 | C11 | 175.2° | 179.9° |
| N13 | C12 | C11 | C32 | 92.3° | 138.8° |
| C12 | N13 | C14 | C19 | 23.9° | 158.0° |
| N13 | C12 | C11 | H111 | 27.1° | 101.4° |
| O31 | C12 | C11 | C32 | 92.7° | 41.3° |
| O31 | C12 | C11 | H111 | 147.8° | 78.6° |
| O31 | C12 | N13 | H131 | 160.2° | 21.4° |
| C12 | C11 | C32 | H111 | 119.6° | 119.8° |
| C12 | C11 | C32 | C33 | 62.6° | 175.6° |
| C12 | C11 | N10 | C09 | 73.4° | 56.1° |
| C12 | C11 | C32 | H321 | 177.6° | 55.4° |
| C12 | C11 | C32 | H322 | 57.0° | 64.4° |
| C12 | C11 | N10 | H101 | 106.6° | 123.9° |
| C11 | C12 | N13 | H131 | 14.9° | 158.7° |
| C11 | C32 | C33 | H321 | 119.7° | 120.2° |
| C11 | C32 | C33 | H322 | 119.7° | 120.1° |
| C11 | C32 | C33 | C34 | 111.6° | 91.7° |
| C32 | C11 | N10 | C09 | 169.6° | 63.1° |
| C11 | C32 | C33 | C38 | 66.7° | 89.3° |
| C11 | C32 | H321 | H322 | 120.9° | 119.9° |
| C32 | C11 | N10 | H101 | 10.4° | 116.8° |
| C32 | C33 | C34 | C38 | 178.3° | 179.0° |
| C32 | C33 | C34 | C35 | 178.9° | 178.8° |
| C32 | C33 | C38 | C37 | 178.9° | 178.4° |
| C33 | C32 | C11 | H111 | 56.9° | 64.5° |
| C33 | C32 | H321 | H322 | 120.9° | 119.6° |
| C32 | C33 | C34 | H341 | 1.1° | 1.3° |
| C32 | C33 | C38 | H381 | 1.1° | 1.6° |
| C33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.5° | 0.5° |
| C34 | C33 | C38 | C37 | 0.7° | 2.6° |
| C34 | C33 | C32 | H321 | 128.7° | 148.1° |
| C34 | C33 | C32 | H322 | 8.1° | 28.4° |
| C33 | C34 | C35 | H351 | 179.5° | 179.5° |
| C34 | C33 | C38 | H381 | 179.4° | 177.4° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 1.6° | 2.9° |
| C34 | C35 | C36 | C39 | 178.7° | 175.5° |
| C35 | C34 | C33 | C38 | 0.6° | 2.2° |
| C35 | C36 | C37 | C38 | 1.6° | 2.5° |
| C35 | C36 | C37 | C39 | 177.2° | 178.4° |
| C35 | C36 | C39 | C40 | 35.3° | 115.1° |
| C35 | C36 | C39 | C48 | 147.9° | 63.6° |
| C36 | C35 | C34 | H341 | 179.5° | 179.5° |
| C35 | C36 | C37 | H371 | 178.5° | 177.5° |
| C38 | C37 | C36 | H371 | 180.0° | 180.0° |
| C38 | C37 | C36 | C39 | 178.8° | 176.0° |
| C37 | C38 | C33 | H381 | 180.0° | 180.0° |
| C37 | C36 | C39 | C40 | 141.9° | 63.3° |
| C36 | C37 | C38 | C33 | 0.5° | 0.2° |
| C37 | C36 | C39 | C48 | 34.9° | 118.0° |
| C37 | C36 | C35 | H351 | 178.4° | 177.1° |
| C36 | C37 | C38 | H381 | 179.5° | 179.8° |
| C36 | C39 | C40 | C48 | 176.9° | 178.8° |
| C36 | C39 | C40 | C41 | 178.9° | 177.8° |
| C36 | C39 | C48 | C47 | 178.5° | 179.1° |
| C39 | C36 | C35 | H351 | 1.2° | 4.5° |
| C39 | C36 | C37 | H371 | 1.2° | 4.0° |
| C36 | C39 | C40 | H401 | 1.2° | 2.1° |
| C36 | C39 | C48 | H481 | 1.5° | 1.0° |
| C39 | C40 | C41 | H401 | 180.0° | 179.9° |
| C39 | C40 | C41 | N42 | 179.4° | 176.7° |
| C39 | C40 | C41 | C45 | 1.2° | 1.7° |
| C40 | C39 | C48 | C47 | 1.7° | 0.4° |
| C40 | C39 | C48 | H481 | 178.3° | 179.7° |
| C40 | C41 | N42 | C43 | 116.6° | 3.0° |
| C40 | C41 | N42 | C45 | 179.3° | 178.4° |
| C40 | C41 | C45 | C46 | 179.4° | 179.0° |
| C40 | C41 | C45 | C47 | 0.2° | 1.0° |
| C41 | C40 | C39 | C48 | 1.9° | 1.0° |
| C40 | C41 | N42 | H421 | 63.4° | 177.0° |
| N42 | C43 | O44 | C28 | 179.4° | 179.9° |
| C43 | N42 | C41 | H421 | 180.0° | 179.9° |
| C43 | N42 | C41 | C45 | 64.1° | 175.3° |
| N42 | C43 | C28 | H282 | 100.9° | 92.3° |
| N42 | C43 | C28 | H281 | 137.6° | 28.3° |
| O44 | C43 | N42 | C41 | 1.0° | 4.4° |
| O44 | C43 | C28 | H282 | 79.7° | 87.6° |
| O44 | C43 | C28 | H281 | 41.8° | 151.8° |
| O44 | C43 | N42 | H421 | 178.9° | 175.7° |
| N42 | C41 | C45 | C46 | 0.0° | 2.7° |
| N42 | C41 | C45 | C47 | 179.5° | 177.4° |
| C41 | N42 | C43 | C28 | 179.6° | 175.7° |
| N42 | C41 | C40 | H401 | 0.6° | 3.2° |
| C41 | C45 | C46 | C47 | 179.6° | 180.0° |
| C41 | C45 | C47 | C48 | 0.1° | 0.4° |
| C45 | C41 | C40 | H401 | 178.8° | 178.4° |
| C41 | C45 | C46 | H462 | 89.8° | 90.0° |
| C41 | C45 | C46 | H461 | 150.2° | 150.0° |
| C41 | C45 | C46 | H463 | 30.2° | 30.0° |
| C41 | C45 | C47 | H471 | 179.9° | 179.7° |
| C45 | C41 | N42 | H421 | 115.9° | 4.6° |
| C46 | C45 | C47 | C48 | 179.7° | 179.6° |
| C45 | C46 | H462 | H461 | 120.0° | 120.0° |
| C45 | C46 | H462 | H463 | 120.0° | 120.0° |
| C45 | C46 | H461 | H463 | 120.0° | 120.0° |
| C46 | C45 | C47 | H471 | 0.3° | 0.2° |
| C45 | C47 | C48 | H471 | 180.0° | 179.9° |
| C45 | C47 | C48 | C39 | 0.7° | 1.1° |
| C47 | C45 | C46 | H462 | 89.8° | 90.0° |
| C47 | C45 | C46 | H461 | 30.2° | 30.0° |
| C47 | C45 | C46 | H463 | 150.2° | 150.0° |
| C45 | C47 | C48 | H481 | 179.3° | 179.0° |
| C47 | C48 | C39 | H481 | 180.0° | 179.9° |
| C09 | N10 | C11 | H111 | 48.0° | 176.4° |
| N10 | C09 | C06 | H061 | 18.6° | 63.8° |
| O49 | C09 | C06 | H061 | 160.9° | 116.1° |
| O49 | C09 | N10 | H101 | 179.9° | 175.1° |
| C08 | C03 | C02 | H022 | 117.7° | 54.8° |
| C08 | C03 | C02 | H021 | 2.8° | 65.2° |
| C08 | C03 | C04 | H041 | 174.7° | 180.0° |
| C08 | C03 | C04 | H042 | 65.8° | 59.9° |
| C03 | C08 | C07 | H071 | 178.7° | 60.0° |
| C03 | C08 | C07 | H072 | 61.3° | 180.0° |
| C03 | C08 | H081 | H082 | 119.8° | 120.0° |
| C19 | C14 | C15 | H151 | 178.4° | 179.8° |
| C14 | C19 | C18 | H181 | 179.0° | 178.7° |
| C19 | C14 | N13 | H131 | 156.1° | 22.0° |
| C43 | C28 | H282 | H281 | 122.1° | 120.5° |
| C43 | C28 | N27 | H271 | 104.2° | 87.9° |
| C28 | C43 | N42 | H421 | 0.5° | 4.2° |
| C38 | C33 | C32 | H321 | 53.0° | 31.0° |
| C38 | C33 | C32 | H322 | 173.6° | 150.7° |
| C38 | C33 | C34 | H341 | 179.4° | 177.7° |
| C33 | C38 | C37 | H371 | 179.6° | 179.7° |
| C48 | C39 | C40 | H401 | 178.1° | 179.1° |
| C39 | C48 | C47 | H471 | 179.4° | 179.0° |
| H111 | C11 | C32 | H321 | 62.8° | 175.3° |
| H111 | C11 | C32 | H322 | 176.6° | 55.4° |
| H111 | C11 | N10 | H101 | 132.0° | 3.6° |
| H151 | C15 | C16 | H161 | 0.7° | 0.0° |
| H022 | C02 | C03 | H031 | 123.1° | 65.2° |
| H022 | C02 | N01 | H011 | 60.3° | 64.0° |
| H022 | C02 | N01 | H012 | 59.8° | 60.0° |
| H021 | C02 | C03 | H031 | 116.4° | 174.8° |
| H021 | C02 | N01 | H011 | 60.3° | 176.0° |
| H021 | C02 | N01 | H012 | 179.7° | 59.9° |
| H031 | C03 | C04 | H041 | 53.2° | 60.0° |
| H031 | C03 | C04 | H042 | 172.8° | 180.0° |
| H031 | C03 | C08 | H081 | 55.3° | 180.0° |
| H031 | C03 | C08 | H082 | 175.2° | 60.0° |
| H041 | C04 | C05 | H051 | 54.3° | 59.9° |
| H041 | C04 | C05 | H052 | 65.4° | 60.0° |
| H042 | C04 | C05 | H051 | 173.9° | 180.0° |
| H042 | C04 | C05 | H052 | 54.2° | 60.0° |
| H051 | C05 | C06 | H061 | 178.0° | 180.0° |
| H052 | C05 | C06 | H061 | 58.3° | 60.0° |
| H061 | C06 | C07 | H071 | 60.4° | 180.0° |
| H061 | C06 | C07 | H072 | 179.6° | 60.0° |
| H071 | C07 | C08 | H081 | 61.3° | 180.0° |
| H071 | C07 | C08 | H082 | 58.6° | 60.1° |
| H072 | C07 | C08 | H081 | 58.7° | 60.0° |
| H072 | C07 | C08 | H082 | 178.6° | 60.0° |
| H181 | C18 | C19 | H191 | 0.9° | 1.4° |
| H232 | C23 | C24 | H241 | 70.1° | 32.7° |
| H232 | C23 | C24 | H242 | 171.0° | 152.8° |
| H232 | C23 | N22 | H221 | 47.8° | 105.5° |
| H231 | C23 | C24 | H241 | 47.6° | 152.3° |
| H231 | C23 | C24 | H242 | 71.3° | 87.6° |
| H231 | C23 | N22 | H221 | 69.9° | 134.8° |
| H241 | C24 | C25 | H252 | 156.1° | 138.1° |
| H241 | C24 | C25 | H251 | 34.1° | 18.5° |
| H242 | C24 | C25 | H252 | 84.9° | 101.8° |
| H242 | C24 | C25 | H251 | 153.0° | 138.6° |
| H282 | C28 | N27 | H271 | 15.0° | 152.2° |
| H281 | C28 | N27 | H271 | 136.5° | 31.7° |
| H341 | C34 | C35 | H351 | 0.5° | 0.5° |
| H371 | C37 | C38 | H381 | 0.4° | 0.2° |
| H462 | C46 | H461 | H463 | 120.0° | 120.0° |
| H471 | C47 | C48 | H481 | 0.7° | 0.9° |
