A1IHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C30 | sing | 1.47Å | 1.48Å | |
| C02 | N03 | sing | 1.36Å | 1.39Å | |
| C02 | O01 | doub | 1.22Å | 1.24Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | C15 | sing | 1.51Å | 1.51Å | |
| C04 | N03 | sing | 1.48Å | 1.49Å | |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | CL09 | sing | 1.74Å | 1.75Å | |
| C10 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.38Å | |
| C12 | O11 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.37Å | 1.38Å | |
| C15 | O29 | doub | 1.21Å | 1.24Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | N16 | sing | 1.48Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | N01 | sing | 1.37Å | 1.38Å | |
| C21 | O28 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C35 | sing | 1.50Å | 1.51Å | |
| C23 | N01 | sing | 1.48Å | 1.48Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C30 | C31 | doub | 1.33Å | 1.35Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C37 | sing | 1.53Å | 1.55Å | |
| C33 | O34 | sing | 1.45Å | 1.44Å | |
| C35 | O34 | sing | 1.34Å | 1.36Å | |
| C35 | O36 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C39 | sing | 1.53Å | 1.55Å | |
| C39 | C40 | sing | 1.53Å | 1.49Å | |
| C39 | O41 | sing | 1.43Å | 1.41Å | |
| C40 | C42 | sing | 1.51Å | 1.51Å | |
| C40 | O41 | sing | 1.43Å | 1.41Å | |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C44 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| N85 | C25 | sing | 1.47Å | 1.46Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | 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 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N85 | H852 | sing | 1.01Å | 1.00Å | |
| N85 | H851 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C02 | N03 | 117.1° | 119.3° |
| C30 | C02 | O01 | 122.6° | 120.4° |
| C02 | C30 | C31 | 121.1° | 119.8° |
| C02 | C30 | H301 | 119.4° | 120.3° |
| N03 | C02 | O01 | 120.3° | 120.3° |
| C02 | N03 | C04 | 125.9° | 116.0° |
| C02 | N03 | H031 | 117.1° | 122.0° |
| C05 | C04 | C15 | 113.0° | 109.8° |
| C05 | C04 | N03 | 107.0° | 109.8° |
| C04 | C05 | C06 | 108.1° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.8° |
| C04 | C05 | H051 | 109.8° | 109.5° |
| C04 | C05 | H052 | 109.8° | 109.4° |
| C15 | C04 | N03 | 109.7° | 108.0° |
| C04 | C15 | N16 | 117.5° | 117.8° |
| C04 | C15 | O29 | 121.7° | 121.1° |
| C15 | C04 | H041 | 109.1° | 109.8° |
| N03 | C04 | H041 | 109.3° | 109.8° |
| C04 | N03 | H031 | 117.0° | 122.0° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C05 | C06 | C14 | 120.0° | 119.9° |
| C06 | C05 | H051 | 109.8° | 109.5° |
| C06 | C05 | H052 | 109.8° | 109.5° |
| C07 | C06 | C14 | 120.1° | 120.1° |
| C06 | C07 | C08 | 119.6° | 120.1° |
| C06 | C07 | H071 | 120.2° | 119.9° |
| C06 | C14 | C13 | 120.6° | 120.1° |
| C06 | C14 | H141 | 119.7° | 120.0° |
| C07 | C08 | C10 | 120.1° | 119.9° |
| C07 | C08 | CL09 | 120.5° | 120.0° |
| C08 | C07 | H071 | 120.2° | 120.0° |
| C10 | C08 | CL09 | 119.4° | 120.0° |
| C08 | C10 | C13 | 120.3° | 119.9° |
| C08 | C10 | O11 | 117.5° | 120.1° |
| C13 | C10 | O11 | 122.2° | 120.0° |
| C10 | C13 | C14 | 119.3° | 119.9° |
| C10 | C13 | H131 | 120.3° | 120.0° |
| C10 | O11 | C12 | 118.7° | 117.0° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.4° | 109.5° |
| O11 | C12 | H123 | 109.4° | 109.5° |
| C13 | C14 | H141 | 119.7° | 119.9° |
| C14 | C13 | H131 | 120.4° | 120.1° |
| N16 | C15 | O29 | 120.8° | 121.1° |
| C15 | N16 | C17 | 123.1° | 114.4° |
| C15 | N16 | H161 | 118.4° | 122.7° |
| C18 | C17 | N16 | 109.3° | 108.4° |
| C17 | C18 | C19 | 111.4° | 109.4° |
| C17 | C18 | C20 | 109.8° | 109.4° |
| C17 | C18 | C21 | 110.7° | 109.7° |
| C18 | C17 | H172 | 109.5° | 109.6° |
| C18 | C17 | H171 | 109.5° | 109.6° |
| N16 | C17 | H172 | 109.5° | 109.7° |
| N16 | C17 | H171 | 109.5° | 109.7° |
| C17 | N16 | H161 | 118.5° | 122.8° |
| C19 | C18 | C20 | 107.7° | 109.4° |
| C19 | C18 | C21 | 108.2° | 109.4° |
| C18 | C19 | H192 | 109.5° | 109.4° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C20 | C18 | C21 | 109.0° | 109.4° |
| C18 | C20 | H202 | 109.5° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H203 | 109.5° | 109.4° |
| C18 | C21 | N01 | 116.3° | 118.4° |
| C18 | C21 | O28 | 123.3° | 120.8° |
| N01 | C21 | O28 | 120.4° | 120.8° |
| C21 | N01 | C23 | 119.9° | 114.4° |
| C21 | N01 | H1 | 120.1° | 122.8° |
| C24 | C23 | C35 | 109.0° | 109.6° |
| C24 | C23 | N01 | 108.6° | 109.6° |
| C23 | C24 | C25 | 111.9° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.6° |
| C23 | C24 | H241 | 108.8° | 109.5° |
| C23 | C24 | H242 | 108.9° | 109.5° |
| C35 | C23 | N01 | 110.6° | 108.7° |
| C23 | C35 | O34 | 117.4° | 120.1° |
| C23 | C35 | O36 | 122.2° | 120.0° |
| C35 | C23 | H231 | 109.5° | 109.6° |
| N01 | C23 | H231 | 110.0° | 109.7° |
| C23 | N01 | H1 | 120.0° | 122.8° |
| C24 | C25 | N85 | 112.3° | 109.5° |
| C25 | C24 | H241 | 108.9° | 109.4° |
| C25 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | H251 | 108.7° | 109.4° |
| C24 | C25 | H252 | 108.7° | 109.5° |
| C30 | C31 | C32 | 127.6° | 120.0° |
| C31 | C30 | H301 | 119.4° | 119.9° |
| C30 | C31 | H311 | 116.2° | 119.8° |
| C31 | C32 | C33 | 111.1° | 109.2° |
| C32 | C31 | H311 | 116.2° | 120.2° |
| C31 | C32 | H322 | 109.1° | 109.6° |
| C31 | C32 | H321 | 109.1° | 109.5° |
| C32 | C33 | C37 | 112.4° | 109.5° |
| C32 | C33 | O34 | 112.3° | 109.1° |
| C33 | C32 | H322 | 109.1° | 109.5° |
| C33 | C32 | H321 | 109.1° | 109.5° |
| C32 | C33 | H331 | 107.8° | 109.5° |
| C37 | C33 | O34 | 107.2° | 109.5° |
| C33 | C37 | C38 | 112.4° | 109.5° |
| C33 | C37 | C39 | 114.0° | 109.5° |
| C37 | C33 | H331 | 107.8° | 109.5° |
| C33 | C37 | H371 | 107.3° | 109.5° |
| C33 | O34 | C35 | 121.2° | 117.4° |
| O34 | C33 | H331 | 109.2° | 109.6° |
| O34 | C35 | O36 | 120.5° | 119.9° |
| C38 | C37 | C39 | 108.1° | 109.5° |
| C38 | C37 | H371 | 107.4° | 109.4° |
| C37 | C38 | H383 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.4° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.4° |
| C37 | C39 | C40 | 119.7° | 117.8° |
| C37 | C39 | O41 | 116.2° | 117.8° |
| C39 | C37 | H371 | 107.3° | 109.5° |
| C37 | C39 | H391 | 115.6° | 115.7° |
| C40 | C39 | O41 | 58.0° | 57.6° |
| C39 | C40 | C42 | 122.0° | 117.8° |
| C39 | C40 | O41 | 58.3° | 57.6° |
| C40 | C39 | H391 | 116.8° | 117.8° |
| C39 | C40 | H401 | 115.7° | 117.8° |
| C39 | O41 | C40 | 63.7° | 64.7° |
| O41 | C39 | H391 | 118.3° | 117.8° |
| C42 | C40 | O41 | 116.4° | 117.8° |
| C40 | C42 | C43 | 122.7° | 120.0° |
| C40 | C42 | C47 | 118.3° | 120.0° |
| C42 | C40 | H401 | 115.2° | 115.7° |
| O41 | C40 | H401 | 117.3° | 117.8° |
| C43 | C42 | C47 | 119.0° | 119.9° |
| C42 | C43 | C44 | 120.3° | 120.1° |
| C42 | C43 | H431 | 119.8° | 120.0° |
| C42 | C47 | C46 | 121.0° | 120.0° |
| C42 | C47 | H471 | 119.5° | 120.0° |
| C43 | C44 | C45 | 120.3° | 120.0° |
| C44 | C43 | H431 | 119.9° | 120.0° |
| C43 | C44 | H441 | 119.9° | 120.0° |
| C44 | C45 | C46 | 119.7° | 120.0° |
| C45 | C44 | H441 | 119.8° | 120.0° |
| C44 | C45 | H451 | 120.1° | 120.0° |
| C45 | C46 | C47 | 119.8° | 120.0° |
| C46 | C45 | H451 | 120.1° | 120.0° |
| C45 | C46 | H461 | 120.2° | 120.0° |
| C47 | C46 | H461 | 120.1° | 120.0° |
| C46 | C47 | H471 | 119.5° | 120.0° |
| N85 | C25 | H251 | 108.8° | 109.5° |
| N85 | C25 | H252 | 108.7° | 109.5° |
| C25 | N85 | H852 | 109.5° | 111.0° |
| C25 | N85 | H851 | 109.5° | 111.0° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.8° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.6° |
| H383 | C38 | H382 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.4° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H852 | N85 | H851 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C02 | N03 | O01 | 177.5° | 179.8° |
| C30 | C02 | N03 | C04 | 178.8° | 173.3° |
| C02 | C30 | C31 | H301 | 180.0° | 180.0° |
| C02 | C30 | C31 | C32 | 178.3° | 179.0° |
| C02 | C30 | C31 | H311 | 1.7° | 1.2° |
| C30 | C02 | N03 | H031 | 1.2° | 6.7° |
| C02 | N03 | C04 | C05 | 167.4° | 163.1° |
| C02 | N03 | C04 | C15 | 69.6° | 77.3° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| N03 | C02 | C30 | C31 | 147.9° | 178.8° |
| C02 | N03 | C04 | H041 | 50.0° | 42.4° |
| N03 | C02 | C30 | H301 | 32.0° | 1.2° |
| O01 | C02 | N03 | C04 | 1.3° | 6.9° |
| O01 | C02 | C30 | C31 | 29.5° | 1.0° |
| O01 | C02 | C30 | H301 | 150.5° | 179.0° |
| O01 | C02 | N03 | H031 | 178.7° | 173.1° |
| C05 | C04 | C15 | N03 | 119.3° | 119.6° |
| C05 | C04 | C15 | H041 | 121.0° | 120.7° |
| C05 | C04 | N03 | H041 | 117.5° | 120.7° |
| C04 | C05 | C06 | H051 | 119.8° | 120.0° |
| C04 | C05 | C06 | H052 | 119.8° | 120.0° |
| C04 | C05 | C06 | C07 | 76.5° | 90.1° |
| C04 | C05 | C06 | C14 | 102.6° | 90.0° |
| C05 | C04 | C15 | N16 | 87.8° | 155.8° |
| C05 | C04 | C15 | O29 | 93.3° | 24.2° |
| C04 | C05 | H051 | H052 | 120.6° | 119.9° |
| C05 | C04 | N03 | H031 | 12.6° | 16.9° |
| C15 | C04 | N03 | H041 | 119.6° | 119.6° |
| C15 | C04 | C05 | C06 | 165.8° | 175.0° |
| C04 | C15 | N16 | O29 | 178.9° | 180.0° |
| C04 | C15 | N16 | C17 | 178.9° | 176.9° |
| C15 | C04 | C05 | H051 | 74.4° | 55.0° |
| C15 | C04 | C05 | H052 | 46.0° | 65.0° |
| C15 | C04 | N03 | H031 | 110.4° | 102.7° |
| C04 | C15 | N16 | H161 | 1.1° | 3.3° |
| N03 | C04 | C05 | C06 | 45.0° | 66.5° |
| N03 | C04 | C15 | N16 | 31.4° | 84.5° |
| N03 | C04 | C15 | O29 | 147.5° | 95.4° |
| N03 | C04 | C05 | H051 | 164.8° | 173.5° |
| N03 | C04 | C05 | H052 | 74.8° | 53.6° |
| C05 | C06 | C07 | C14 | 179.1° | 179.9° |
| C05 | C06 | C07 | C08 | 179.7° | 180.0° |
| C05 | C06 | C14 | C13 | 179.5° | 179.8° |
| C05 | C06 | C14 | H141 | 0.5° | 0.0° |
| C06 | C05 | C04 | H041 | 72.9° | 54.2° |
| C06 | C05 | H051 | H052 | 120.6° | 120.1° |
| C05 | C06 | C07 | H071 | 0.3° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C06 | C07 | C08 | C10 | 0.4° | 0.2° |
| C06 | C07 | C08 | CL09 | 179.6° | 179.9° |
| C07 | C06 | C14 | C13 | 0.4° | 0.3° |
| C07 | C06 | C14 | H141 | 179.6° | 179.9° |
| C07 | C06 | C05 | H051 | 43.3° | 29.9° |
| C07 | C06 | C05 | H052 | 163.7° | 149.9° |
| C14 | C06 | C07 | C08 | 0.6° | 0.1° |
| C06 | C14 | C13 | C10 | 0.1° | 0.3° |
| C06 | C14 | C13 | H141 | 180.0° | 179.7° |
| C06 | C14 | C13 | H131 | 179.9° | 179.8° |
| C14 | C06 | C05 | H051 | 137.6° | 150.0° |
| C14 | C06 | C05 | H052 | 17.2° | 30.0° |
| C14 | C06 | C07 | H071 | 179.4° | 180.0° |
| C07 | C08 | C10 | CL09 | 179.9° | 179.8° |
| C07 | C08 | C10 | C13 | 0.1° | 0.2° |
| C07 | C08 | C10 | O11 | 180.0° | 179.7° |
| C08 | C10 | C13 | O11 | 179.9° | 180.0° |
| C08 | C10 | O11 | C12 | 179.5° | 180.0° |
| C08 | C10 | C13 | C14 | 0.1° | 0.0° |
| C08 | C10 | C13 | H131 | 179.9° | 180.0° |
| C10 | C08 | C07 | H071 | 179.6° | 179.7° |
| CL09 | C08 | C10 | C13 | 180.0° | 180.0° |
| CL09 | C08 | C10 | O11 | 0.1° | 0.0° |
| CL09 | C08 | C07 | H071 | 0.3° | 0.0° |
| C13 | C10 | O11 | C12 | 0.4° | 0.0° |
| C10 | C13 | C14 | H131 | 180.0° | 180.0° |
| C10 | C13 | C14 | H141 | 180.0° | 180.0° |
| O11 | C10 | C13 | C14 | 179.8° | 180.0° |
| C10 | O11 | C12 | H121 | 180.0° | 180.0° |
| C10 | O11 | C12 | H122 | 60.0° | 60.0° |
| C10 | O11 | C12 | H123 | 60.0° | 60.0° |
| O11 | C10 | C13 | H131 | 0.2° | 0.1° |
| O11 | C12 | H121 | H122 | 120.0° | 120.0° |
| O11 | C12 | H121 | H123 | 120.0° | 120.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C15 | N16 | C17 | C18 | 108.4° | 147.1° |
| C15 | N16 | C17 | H161 | 180.0° | 179.9° |
| N16 | C15 | C04 | H041 | 151.1° | 35.1° |
| C15 | N16 | C17 | H172 | 11.6° | 93.2° |
| C15 | N16 | C17 | H171 | 131.6° | 27.4° |
| O29 | C15 | N16 | C17 | 0.0° | 3.1° |
| O29 | C15 | C04 | H041 | 27.8° | 144.9° |
| O29 | C15 | N16 | H161 | 180.0° | 176.8° |
| C18 | C17 | N16 | H172 | 120.0° | 119.7° |
| C18 | C17 | N16 | H171 | 120.0° | 119.6° |
| C17 | C18 | C19 | C20 | 120.4° | 119.8° |
| C17 | C18 | C19 | C21 | 121.9° | 120.3° |
| C17 | C18 | C20 | C21 | 121.4° | 120.3° |
| C17 | C18 | C21 | N01 | 154.2° | 166.3° |
| C17 | C18 | C21 | O28 | 26.5° | 13.6° |
| C18 | C17 | H172 | H171 | 120.1° | 120.5° |
| C17 | C18 | C19 | H192 | 180.0° | 60.0° |
| C17 | C18 | C19 | H191 | 60.0° | 180.0° |
| C17 | C18 | C19 | H193 | 60.0° | 59.9° |
| C17 | C18 | C20 | H202 | 180.0° | 60.0° |
| C17 | C18 | C20 | H201 | 60.0° | 180.0° |
| C17 | C18 | C20 | H203 | 60.0° | 60.1° |
| C18 | C17 | N16 | H161 | 71.6° | 33.1° |
| N16 | C17 | C18 | C19 | 52.9° | 45.1° |
| N16 | C17 | C18 | C20 | 172.1° | 165.0° |
| N16 | C17 | C18 | C21 | 67.6° | 75.0° |
| N16 | C17 | H172 | H171 | 120.0° | 120.6° |
| C19 | C18 | C20 | C21 | 117.2° | 119.9° |
| C19 | C18 | C21 | N01 | 83.5° | 46.3° |
| C19 | C18 | C21 | O28 | 95.8° | 133.7° |
| C19 | C18 | C17 | H172 | 67.1° | 74.6° |
| C19 | C18 | C17 | H171 | 172.9° | 164.8° |
| C18 | C19 | H192 | H191 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | H202 | 58.6° | 59.9° |
| C19 | C18 | C20 | H201 | 178.6° | 60.1° |
| C19 | C18 | C20 | H203 | 61.4° | 179.9° |
| C20 | C18 | C21 | N01 | 33.4° | 73.6° |
| C20 | C18 | C21 | O28 | 147.4° | 106.4° |
| C20 | C18 | C17 | H172 | 52.1° | 45.2° |
| C20 | C18 | C17 | H171 | 68.0° | 75.3° |
| C20 | C18 | C19 | H192 | 59.6° | 179.9° |
| C20 | C18 | C19 | H191 | 60.4° | 60.1° |
| C20 | C18 | C19 | H193 | 179.6° | 59.9° |
| C18 | C20 | H202 | H201 | 120.0° | 120.0° |
| C18 | C20 | H202 | H203 | 120.0° | 120.0° |
| C18 | C20 | H201 | H203 | 120.0° | 120.0° |
| C18 | C21 | N01 | O28 | 179.3° | 180.0° |
| C18 | C21 | N01 | C23 | 156.8° | 178.8° |
| C21 | C18 | C17 | H172 | 172.4° | 165.3° |
| C21 | C18 | C17 | H171 | 52.4° | 44.7° |
| C21 | C18 | C19 | H192 | 58.0° | 60.3° |
| C21 | C18 | C19 | H191 | 178.1° | 59.8° |
| C21 | C18 | C19 | H193 | 62.0° | 179.8° |
| C21 | C18 | C20 | H202 | 58.6° | 179.7° |
| C21 | C18 | C20 | H201 | 61.4° | 59.8° |
| C21 | C18 | C20 | H203 | 178.6° | 60.2° |
| C18 | C21 | N01 | H1 | 23.2° | 1.2° |
| C21 | N01 | C23 | C24 | 176.3° | 128.7° |
| C21 | N01 | C23 | C35 | 64.2° | 111.5° |
| C21 | N01 | C23 | H1 | 180.0° | 180.0° |
| C21 | N01 | C23 | H231 | 56.9° | 8.4° |
| O28 | C21 | N01 | C23 | 22.5° | 1.2° |
| O28 | C21 | N01 | H1 | 157.5° | 178.8° |
| C24 | C23 | C35 | N01 | 119.3° | 119.8° |
| C24 | C23 | C35 | H231 | 119.3° | 120.3° |
| C24 | C23 | N01 | H231 | 119.4° | 120.3° |
| C23 | C24 | C25 | H241 | 120.4° | 120.0° |
| C23 | C24 | C25 | H242 | 120.4° | 120.0° |
| C24 | C23 | C35 | O34 | 97.3° | 110.6° |
| C24 | C23 | C35 | O36 | 83.3° | 69.4° |
| C23 | C24 | C25 | N85 | 49.1° | 180.0° |
| C23 | C24 | H241 | H242 | 118.9° | 120.0° |
| C23 | C24 | C25 | H251 | 71.3° | 60.1° |
| C23 | C24 | C25 | H252 | 169.5° | 60.0° |
| C24 | C23 | N01 | H1 | 3.7° | 51.3° |
| C35 | C23 | N01 | H231 | 121.0° | 119.9° |
| C35 | C23 | C24 | C25 | 165.4° | 175.0° |
| C23 | C35 | O34 | C33 | 176.6° | 179.4° |
| C23 | C35 | O34 | O36 | 179.5° | 180.0° |
| C35 | C23 | C24 | H241 | 74.3° | 65.0° |
| C35 | C23 | C24 | H242 | 45.0° | 55.0° |
| C35 | C23 | N01 | H1 | 115.8° | 68.5° |
| N01 | C23 | C24 | C25 | 74.1° | 65.7° |
| N01 | C23 | C35 | O34 | 143.4° | 129.6° |
| N01 | C23 | C35 | O36 | 36.1° | 50.4° |
| N01 | C23 | C24 | H241 | 46.3° | 54.3° |
| N01 | C23 | C24 | H242 | 165.6° | 174.2° |
| C24 | C25 | N85 | H251 | 120.4° | 119.9° |
| C24 | C25 | N85 | H252 | 120.4° | 120.0° |
| C25 | C24 | C23 | H231 | 45.8° | 54.7° |
| C25 | C24 | H241 | H242 | 118.9° | 120.0° |
| C24 | C25 | H251 | H252 | 118.7° | 120.0° |
| C24 | C25 | N85 | H852 | 180.0° | 179.9° |
| C24 | C25 | N85 | H851 | 60.0° | 56.1° |
| C30 | C31 | C32 | H311 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 153.7° | 121.4° |
| C30 | C31 | C32 | H322 | 86.0° | 118.6° |
| C30 | C31 | C32 | H321 | 33.5° | 1.5° |
| C31 | C32 | C33 | H322 | 120.3° | 120.0° |
| C31 | C32 | C33 | H321 | 120.3° | 119.8° |
| C31 | C32 | C33 | C37 | 177.5° | 169.2° |
| C31 | C32 | C33 | O34 | 61.5° | 49.3° |
| C32 | C31 | C30 | H301 | 1.7° | 0.9° |
| C31 | C32 | H322 | H321 | 119.2° | 120.1° |
| C31 | C32 | C33 | H331 | 58.9° | 70.6° |
| C32 | C33 | C37 | O34 | 123.8° | 119.7° |
| C32 | C33 | C37 | H331 | 118.6° | 120.1° |
| C32 | C33 | O34 | H331 | 119.5° | 119.9° |
| C32 | C33 | O34 | C35 | 100.4° | 121.3° |
| C32 | C33 | C37 | C38 | 67.0° | 60.0° |
| C32 | C33 | C37 | C39 | 169.4° | 180.0° |
| C33 | C32 | C31 | H311 | 26.3° | 58.8° |
| C33 | C32 | H322 | H321 | 119.3° | 120.1° |
| C32 | C33 | C37 | H371 | 50.8° | 60.0° |
| C37 | C33 | O34 | H331 | 116.6° | 120.2° |
| C37 | C33 | O34 | C35 | 135.7° | 118.8° |
| C33 | C37 | C38 | C39 | 126.7° | 120.0° |
| C33 | C37 | C38 | H371 | 117.7° | 120.0° |
| C33 | C37 | C39 | H371 | 118.6° | 120.0° |
| C33 | C37 | C39 | C40 | 95.8° | 175.0° |
| C33 | C37 | C39 | O41 | 162.3° | 119.0° |
| C37 | C33 | C32 | H322 | 57.3° | 70.8° |
| C37 | C33 | C32 | H321 | 62.2° | 49.3° |
| C33 | C37 | C38 | H383 | 180.0° | 59.9° |
| C33 | C37 | C38 | H382 | 60.0° | 180.0° |
| C33 | C37 | C38 | H381 | 60.0° | 60.0° |
| C33 | C37 | C39 | H391 | 52.4° | 28.0° |
| C33 | O34 | C35 | O36 | 3.9° | 0.6° |
| O34 | C33 | C37 | C38 | 169.1° | 179.6° |
| O34 | C33 | C37 | C39 | 45.6° | 60.4° |
| O34 | C33 | C32 | H322 | 178.2° | 169.3° |
| O34 | C33 | C32 | H321 | 58.8° | 70.6° |
| O34 | C33 | C37 | H371 | 73.0° | 59.6° |
| O34 | C35 | C23 | H231 | 22.1° | 9.7° |
| C35 | O34 | C33 | H331 | 19.1° | 1.4° |
| O36 | C35 | C23 | H231 | 157.4° | 170.3° |
| C38 | C37 | C39 | H371 | 115.6° | 119.9° |
| C38 | C37 | C39 | C40 | 138.4° | 64.9° |
| C38 | C37 | C39 | O41 | 71.9° | 1.1° |
| C38 | C37 | C33 | H331 | 51.6° | 60.2° |
| C37 | C38 | H383 | H382 | 120.0° | 120.0° |
| C37 | C38 | H383 | H381 | 120.0° | 119.9° |
| C37 | C38 | H382 | H381 | 120.0° | 120.0° |
| C38 | C37 | C39 | H391 | 73.5° | 148.1° |
| C37 | C39 | C40 | O41 | 104.0° | 106.8° |
| C37 | C39 | C40 | H391 | 147.8° | 146.3° |
| C37 | C39 | O41 | H391 | 144.4° | 146.3° |
| C37 | C39 | C40 | C42 | 152.7° | 146.3° |
| C39 | C37 | C33 | H331 | 71.9° | 59.8° |
| C39 | C37 | C38 | H383 | 53.2° | 180.0° |
| C39 | C37 | C38 | H382 | 66.8° | 60.0° |
| C39 | C37 | C38 | H381 | 173.2° | 60.0° |
| C37 | C39 | C40 | H401 | 3.5° | 0.1° |
| C40 | C39 | O41 | H391 | 105.5° | 106.9° |
| C39 | C40 | C42 | O41 | 67.6° | 66.0° |
| C39 | C40 | C42 | H401 | 149.3° | 146.9° |
| C39 | C40 | O41 | H401 | 104.8° | 106.8° |
| C39 | C40 | C42 | C43 | 29.5° | 95.0° |
| C39 | C40 | C42 | C47 | 150.6° | 84.7° |
| C40 | C39 | C37 | H371 | 22.8° | 55.0° |
| O41 | C39 | C37 | H371 | 43.6° | 121.0° |
| C42 | C40 | O41 | H401 | 142.3° | 146.3° |
| C40 | C42 | C43 | C47 | 179.8° | 179.8° |
| C40 | C42 | C43 | C44 | 180.0° | 179.9° |
| C40 | C42 | C47 | C46 | 179.9° | 179.8° |
| C42 | C40 | C39 | H391 | 4.9° | 0.0° |
| C40 | C42 | C43 | H431 | 0.0° | 0.1° |
| C40 | C42 | C47 | H471 | 0.1° | 0.1° |
| O41 | C40 | C42 | C43 | 38.1° | 161.0° |
| O41 | C40 | C42 | C47 | 141.8° | 18.7° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.0° | 0.1° |
| C43 | C42 | C47 | C46 | 0.2° | 0.4° |
| C43 | C42 | C40 | H401 | 178.9° | 51.9° |
| C42 | C43 | C44 | H441 | 179.9° | 179.9° |
| C43 | C42 | C47 | H471 | 179.8° | 179.7° |
| C47 | C42 | C43 | C44 | 0.2° | 0.2° |
| C42 | C47 | C46 | C45 | 0.2° | 0.4° |
| C42 | C47 | C46 | H471 | 180.0° | 179.9° |
| C47 | C42 | C40 | H401 | 1.3° | 128.3° |
| C47 | C42 | C43 | H431 | 179.8° | 179.7° |
| C42 | C47 | C46 | H461 | 179.8° | 179.7° |
| C43 | C44 | C45 | H441 | 180.0° | 179.8° |
| C43 | C44 | C45 | C46 | 0.1° | 0.1° |
| C43 | C44 | C45 | H451 | 179.9° | 179.9° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 0.0° | 0.1° |
| C45 | C44 | C43 | H431 | 180.0° | 180.0° |
| C44 | C45 | C46 | H461 | 180.0° | 180.0° |
| C45 | C46 | C47 | H461 | 180.0° | 179.9° |
| C46 | C45 | C44 | H441 | 180.0° | 180.0° |
| C45 | C46 | C47 | H471 | 179.9° | 179.7° |
| C47 | C46 | C45 | H451 | 180.0° | 179.9° |
| N85 | C25 | C24 | H241 | 169.5° | 60.0° |
| N85 | C25 | C24 | H242 | 71.3° | 60.0° |
| N85 | C25 | H251 | H252 | 118.7° | 120.0° |
| C25 | N85 | H852 | H851 | 120.0° | 123.9° |
| H141 | C14 | C13 | H131 | 0.1° | 0.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 46.9° | 65.8° |
| H041 | C04 | C05 | H052 | 167.3° | 174.3° |
| H041 | C04 | N03 | H031 | 130.0° | 137.6° |
| H172 | C17 | N16 | H161 | 168.4° | 86.6° |
| H171 | C17 | N16 | H161 | 48.4° | 152.7° |
| H192 | C19 | H191 | H193 | 120.0° | 120.0° |
| H202 | C20 | H201 | H203 | 120.0° | 120.0° |
| H231 | C23 | C24 | H241 | 166.2° | 174.7° |
| H231 | C23 | C24 | H242 | 74.5° | 65.3° |
| H231 | C23 | N01 | H1 | 123.1° | 171.6° |
| H241 | C24 | C25 | H251 | 49.0° | 179.9° |
| H241 | C24 | C25 | H252 | 70.2° | 60.0° |
| H242 | C24 | C25 | H251 | 168.3° | 60.0° |
| H242 | C24 | C25 | H252 | 49.1° | 180.0° |
| H251 | C25 | N85 | H852 | 59.6° | 60.0° |
| H251 | C25 | N85 | H851 | 179.6° | 176.0° |
| H252 | C25 | N85 | H852 | 59.6° | 60.0° |
| H252 | C25 | N85 | H851 | 60.4° | 63.9° |
| H301 | C30 | C31 | H311 | 178.3° | 178.8° |
| H311 | C31 | C32 | H322 | 94.0° | 61.1° |
| H311 | C31 | C32 | H321 | 146.5° | 178.7° |
| H322 | C32 | C33 | H331 | 61.4° | 49.3° |
| H321 | C32 | C33 | H331 | 179.1° | 169.5° |
| H331 | C33 | C37 | H371 | 169.4° | 179.8° |
| H371 | C37 | C38 | H383 | 62.3° | 60.1° |
| H371 | C37 | C38 | H382 | 177.7° | 60.0° |
| H371 | C37 | C38 | H381 | 57.7° | 180.0° |
| H371 | C37 | C39 | H391 | 171.0° | 92.0° |
| H383 | C38 | H382 | H381 | 120.0° | 120.0° |
| H391 | C39 | C40 | H401 | 144.3° | 146.2° |
| H431 | C43 | C44 | H441 | 0.0° | 0.2° |
| H441 | C44 | C45 | H451 | 0.0° | 0.1° |
| H451 | C45 | C46 | H461 | 0.0° | 0.0° |
| H461 | C46 | C47 | H471 | 0.2° | 0.2° |
