Y74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C30 | sing | 1.47Å | 1.46Å | |
| C02 | N03 | sing | 1.36Å | 1.38Å | |
| 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 | 1.48Å | |
| C05 | C06 | sing | 1.51Å | 1.50Å | |
| 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 | 1.40Å | 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 | 1.49Å | 1.48Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | O22 | sing | 1.34Å | 1.36Å | |
| C21 | O28 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C35 | sing | 1.51Å | 1.51Å | |
| C23 | O22 | sing | 1.45Å | 1.43Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | O26 | doub | 1.21Å | 1.27Å | |
| C25 | O27 | sing | 1.34Å | 1.27Å | |
| C30 | C31 | doub | 1.33Å | 1.35Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C37 | sing | 1.53Å | 1.55Å | |
| C33 | O34 | sing | 1.45Å | 1.43Å | |
| 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 | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.48Å | |
| 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 | 1.39Å | Aromatic |
| C42 | C47 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.39Å | 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 |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | 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 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | 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 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | 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 | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | 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 | |
| C38 | H383 | 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 | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| O27 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C02 | N03 | 117.4° | 119.2° |
| C30 | C02 | O01 | 122.9° | 120.4° |
| C02 | C30 | C31 | 121.3° | 120.1° |
| C02 | C30 | H301 | 119.4° | 120.0° |
| N03 | C02 | O01 | 119.7° | 120.4° |
| C02 | N03 | C04 | 122.7° | 115.9° |
| C02 | N03 | H031 | 118.6° | 122.0° |
| C05 | C04 | C15 | 108.9° | 109.7° |
| C05 | C04 | N03 | 110.1° | 109.6° |
| C04 | C05 | C06 | 111.7° | 109.5° |
| C05 | C04 | H041 | 109.2° | 109.7° |
| C04 | C05 | H051 | 108.9° | 109.4° |
| C04 | C05 | H052 | 108.9° | 109.5° |
| C15 | C04 | N03 | 109.1° | 108.4° |
| C04 | C15 | N16 | 117.6° | 118.2° |
| C04 | C15 | O29 | 122.0° | 120.8° |
| C15 | C04 | H041 | 109.6° | 109.7° |
| N03 | C04 | H041 | 110.0° | 109.7° |
| C04 | N03 | H031 | 118.7° | 122.1° |
| C05 | C06 | C07 | 120.4° | 119.9° |
| C05 | C06 | C14 | 119.7° | 119.9° |
| C06 | C05 | H051 | 108.9° | 109.5° |
| C06 | C05 | H052 | 108.9° | 109.5° |
| C07 | C06 | C14 | 120.0° | 120.1° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C06 | C07 | H071 | 120.1° | 120.0° |
| C06 | C14 | C13 | 120.6° | 120.1° |
| C06 | C14 | H141 | 119.7° | 119.9° |
| C07 | C08 | C10 | 120.1° | 119.9° |
| C07 | C08 | CL09 | 119.9° | 120.1° |
| C08 | C07 | H071 | 120.1° | 120.0° |
| C10 | C08 | CL09 | 120.1° | 120.0° |
| C08 | C10 | C13 | 120.1° | 119.9° |
| C08 | C10 | O11 | 117.4° | 120.0° |
| C13 | C10 | O11 | 122.5° | 120.1° |
| C10 | C13 | C14 | 119.4° | 119.9° |
| C10 | C13 | H131 | 120.3° | 120.0° |
| C10 | O11 | C12 | 119.0° | 117.0° |
| O11 | C12 | H123 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H121 | 109.5° | 109.4° |
| C13 | C14 | H141 | 119.7° | 120.0° |
| C14 | C13 | H131 | 120.3° | 120.0° |
| N16 | C15 | O29 | 120.4° | 121.0° |
| C15 | N16 | C17 | 123.7° | 114.3° |
| C15 | N16 | H161 | 118.2° | 122.9° |
| C18 | C17 | N16 | 112.3° | 107.8° |
| C17 | C18 | C19 | 110.9° | 109.5° |
| C17 | C18 | C20 | 108.5° | 109.5° |
| C17 | C18 | C21 | 110.8° | 109.5° |
| C18 | C17 | H171 | 108.8° | 109.7° |
| C18 | C17 | H172 | 108.8° | 109.9° |
| N16 | C17 | H171 | 108.8° | 109.8° |
| N16 | C17 | H172 | 108.8° | 109.8° |
| C17 | N16 | H161 | 118.2° | 122.8° |
| C19 | C18 | C20 | 108.6° | 109.5° |
| C19 | C18 | C21 | 109.4° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.4° | 109.5° |
| C20 | C18 | C21 | 108.6° | 109.4° |
| C18 | C20 | H203 | 109.5° | 109.4° |
| C18 | C20 | H201 | 109.5° | 109.5° |
| C18 | C20 | H202 | 109.5° | 109.6° |
| C18 | C21 | O22 | 115.3° | 119.9° |
| C18 | C21 | O28 | 123.3° | 120.1° |
| O22 | C21 | O28 | 121.4° | 120.0° |
| C21 | O22 | C23 | 121.7° | 117.2° |
| C24 | C23 | C35 | 108.1° | 109.5° |
| C24 | C23 | O22 | 108.1° | 109.4° |
| C23 | C24 | C25 | 111.4° | 109.5° |
| C24 | C23 | H231 | 109.1° | 109.4° |
| C23 | C24 | H241 | 109.0° | 109.4° |
| C23 | C24 | H242 | 109.0° | 109.5° |
| C35 | C23 | O22 | 111.3° | 109.3° |
| C23 | C35 | O34 | 116.2° | 119.7° |
| C23 | C35 | O36 | 123.0° | 120.1° |
| C35 | C23 | H231 | 109.6° | 109.5° |
| O22 | C23 | H231 | 110.6° | 109.6° |
| C24 | C25 | O26 | 118.4° | 120.0° |
| C24 | C25 | O27 | 118.7° | 120.0° |
| C25 | C24 | H241 | 109.0° | 109.5° |
| C25 | C24 | H242 | 109.0° | 109.5° |
| O26 | C25 | O27 | 122.9° | 120.0° |
| C25 | O27 | H1 | 109.5° | 117.0° |
| C30 | C31 | C32 | 125.4° | 120.2° |
| C31 | C30 | H301 | 119.4° | 119.9° |
| C30 | C31 | H311 | 117.3° | 119.9° |
| C31 | C32 | C33 | 113.0° | 109.5° |
| C32 | C31 | H311 | 117.3° | 120.0° |
| C31 | C32 | H321 | 108.6° | 109.5° |
| C31 | C32 | H322 | 108.6° | 109.4° |
| C32 | C33 | C37 | 113.0° | 109.5° |
| C32 | C33 | O34 | 108.5° | 109.7° |
| C33 | C32 | H321 | 108.6° | 109.5° |
| C33 | C32 | H322 | 108.6° | 109.5° |
| C32 | C33 | H331 | 108.1° | 109.4° |
| C37 | C33 | O34 | 109.2° | 109.4° |
| C33 | C37 | C38 | 111.1° | 109.5° |
| C33 | C37 | C39 | 111.6° | 109.5° |
| C37 | C33 | H331 | 108.1° | 109.5° |
| C33 | C37 | H371 | 108.2° | 109.5° |
| C33 | O34 | C35 | 120.8° | 117.2° |
| O34 | C33 | H331 | 109.7° | 109.4° |
| O34 | C35 | O36 | 120.8° | 120.1° |
| C38 | C37 | C39 | 109.0° | 109.5° |
| C38 | C37 | H371 | 108.4° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.4° |
| C37 | C38 | H383 | 109.5° | 109.4° |
| C37 | C39 | C40 | 118.5° | 117.8° |
| C37 | C39 | O41 | 118.2° | 117.8° |
| C39 | C37 | H371 | 108.4° | 109.5° |
| C37 | C39 | H391 | 115.5° | 115.7° |
| C40 | C39 | O41 | 58.2° | 57.6° |
| C39 | C40 | C42 | 119.0° | 117.8° |
| C39 | C40 | O41 | 58.1° | 57.6° |
| C40 | C39 | H391 | 116.5° | 117.7° |
| C39 | C40 | H401 | 115.9° | 117.7° |
| C39 | O41 | C40 | 63.7° | 64.7° |
| O41 | C39 | H391 | 118.1° | 117.8° |
| C42 | C40 | O41 | 118.6° | 117.8° |
| C40 | C42 | C43 | 121.4° | 120.0° |
| C40 | C42 | C47 | 119.2° | 120.0° |
| C42 | C40 | H401 | 115.6° | 115.8° |
| O41 | C40 | H401 | 117.5° | 117.8° |
| C43 | C42 | C47 | 119.4° | 120.0° |
| C42 | C43 | C44 | 120.3° | 120.0° |
| C42 | C43 | H431 | 119.8° | 120.0° |
| C42 | C47 | C46 | 120.4° | 120.0° |
| C42 | C47 | H471 | 119.8° | 120.1° |
| C43 | C44 | C45 | 120.0° | 120.0° |
| C44 | C43 | H431 | 119.9° | 120.0° |
| C43 | C44 | H441 | 120.0° | 120.0° |
| C44 | C45 | C46 | 119.9° | 120.0° |
| C45 | C44 | H441 | 120.0° | 120.0° |
| C44 | C45 | H451 | 120.0° | 120.0° |
| C45 | C46 | C47 | 120.0° | 120.0° |
| C46 | C45 | H451 | 120.1° | 120.0° |
| C45 | C46 | H461 | 120.0° | 120.0° |
| C47 | C46 | H461 | 120.0° | 120.0° |
| C46 | C47 | H471 | 119.8° | 120.0° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.4° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.8° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H203 | C20 | H201 | 109.4° | 109.4° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C02 | N03 | O01 | 179.9° | 179.7° |
| C30 | C02 | N03 | C04 | 179.7° | 177.1° |
| C02 | C30 | C31 | H301 | 180.0° | 179.9° |
| C02 | C30 | C31 | C32 | 179.9° | 179.8° |
| C02 | C30 | C31 | H311 | 0.1° | 0.2° |
| C30 | C02 | N03 | H031 | 0.3° | 2.8° |
| C02 | N03 | C04 | C05 | 173.4° | 156.2° |
| C02 | N03 | C04 | C15 | 67.2° | 84.1° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| N03 | C02 | C30 | C31 | 156.8° | 179.6° |
| C02 | N03 | C04 | H041 | 53.0° | 35.7° |
| N03 | C02 | C30 | H301 | 23.2° | 0.4° |
| O01 | C02 | N03 | C04 | 0.3° | 3.2° |
| O01 | C02 | C30 | C31 | 23.1° | 0.1° |
| O01 | C02 | C30 | H301 | 156.9° | 179.9° |
| O01 | C02 | N03 | H031 | 179.7° | 176.9° |
| C05 | C04 | C15 | N03 | 120.2° | 119.7° |
| C05 | C04 | C15 | H041 | 119.4° | 120.6° |
| C05 | C04 | N03 | H041 | 120.4° | 120.5° |
| C04 | C05 | C06 | H051 | 120.3° | 119.9° |
| C04 | C05 | C06 | H052 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 74.2° | 90.0° |
| C04 | C05 | C06 | C14 | 106.3° | 90.0° |
| C05 | C04 | C15 | N16 | 80.2° | 168.4° |
| C05 | C04 | C15 | O29 | 99.5° | 11.6° |
| C04 | C05 | H051 | H052 | 119.0° | 120.0° |
| C05 | C04 | N03 | H031 | 6.6° | 23.8° |
| C15 | C04 | N03 | H041 | 120.2° | 119.8° |
| C15 | C04 | C05 | C06 | 156.5° | 175.0° |
| C04 | C15 | N16 | O29 | 179.7° | 180.0° |
| C04 | C15 | N16 | C17 | 179.6° | 179.4° |
| C15 | C04 | C05 | H051 | 36.1° | 55.0° |
| C15 | C04 | C05 | H052 | 83.2° | 65.0° |
| C15 | C04 | N03 | H031 | 112.8° | 95.9° |
| C04 | C15 | N16 | H161 | 0.3° | 0.5° |
| N03 | C04 | C05 | C06 | 84.0° | 66.1° |
| N03 | C04 | C15 | N16 | 40.0° | 71.9° |
| N03 | C04 | C15 | O29 | 140.4° | 108.1° |
| N03 | C04 | C05 | H051 | 155.7° | 174.0° |
| N03 | C04 | C05 | H052 | 36.3° | 54.0° |
| C05 | C06 | C07 | C14 | 179.5° | 180.0° |
| C05 | C06 | C07 | C08 | 179.8° | 180.0° |
| C05 | C06 | C14 | C13 | 179.7° | 179.7° |
| C05 | C06 | C14 | H141 | 0.3° | 0.0° |
| C06 | C05 | C04 | H041 | 36.8° | 54.4° |
| C06 | C05 | H051 | H052 | 119.0° | 120.1° |
| C05 | C06 | C07 | H071 | 0.2° | 0.0° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C10 | 0.1° | 0.2° |
| C06 | C07 | C08 | CL09 | 179.9° | 180.0° |
| C07 | C06 | C14 | C13 | 0.2° | 0.3° |
| C07 | C06 | C14 | H141 | 179.8° | 180.0° |
| C07 | C06 | C05 | H051 | 46.1° | 30.0° |
| C07 | C06 | C05 | H052 | 165.5° | 150.0° |
| C14 | C06 | C07 | C08 | 0.2° | 0.0° |
| C06 | C14 | C13 | C10 | 0.0° | 0.3° |
| C06 | C14 | C13 | H141 | 180.0° | 179.8° |
| C06 | C14 | C13 | H131 | 180.0° | 179.8° |
| C14 | C06 | C05 | H051 | 133.4° | 150.1° |
| C14 | C06 | C05 | H052 | 14.1° | 30.0° |
| C14 | C06 | C07 | H071 | 179.8° | 180.0° |
| C07 | C08 | C10 | CL09 | 180.0° | 179.8° |
| C07 | C08 | C10 | C13 | 0.1° | 0.2° |
| C07 | C08 | C10 | O11 | 180.0° | 179.8° |
| C08 | C10 | C13 | O11 | 179.8° | 180.0° |
| C08 | C10 | O11 | C12 | 165.0° | 180.0° |
| C08 | C10 | C13 | C14 | 0.2° | 0.0° |
| C08 | C10 | C13 | H131 | 179.8° | 180.0° |
| C10 | C08 | C07 | H071 | 179.9° | 179.8° |
| CL09 | C08 | C10 | C13 | 179.9° | 180.0° |
| CL09 | C08 | C10 | O11 | 0.1° | 0.0° |
| CL09 | C08 | C07 | H071 | 0.1° | 0.0° |
| C13 | C10 | O11 | C12 | 14.9° | 0.0° |
| C10 | C13 | C14 | H131 | 180.0° | 179.9° |
| C10 | C13 | C14 | H141 | 179.9° | 180.0° |
| O11 | C10 | C13 | C14 | 180.0° | 180.0° |
| C10 | O11 | C12 | H123 | 180.0° | 60.0° |
| C10 | O11 | C12 | H122 | 60.0° | 180.0° |
| C10 | O11 | C12 | H121 | 60.0° | 60.0° |
| O11 | C10 | C13 | H131 | 0.0° | 0.0° |
| O11 | C12 | H123 | H122 | 120.0° | 120.0° |
| O11 | C12 | H123 | H121 | 120.0° | 120.0° |
| O11 | C12 | H122 | H121 | 120.0° | 119.9° |
| C15 | N16 | C17 | C18 | 99.0° | 158.0° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| N16 | C15 | C04 | H041 | 160.4° | 47.9° |
| C15 | N16 | C17 | H171 | 21.5° | 82.5° |
| C15 | N16 | C17 | H172 | 140.6° | 38.4° |
| O29 | C15 | N16 | C17 | 0.0° | 0.6° |
| O29 | C15 | C04 | H041 | 19.9° | 132.1° |
| O29 | C15 | N16 | H161 | 180.0° | 179.5° |
| C18 | C17 | N16 | H171 | 120.4° | 119.5° |
| C18 | C17 | N16 | H172 | 120.4° | 119.7° |
| C17 | C18 | C19 | C20 | 119.1° | 120.0° |
| C17 | C18 | C19 | C21 | 122.5° | 120.0° |
| C17 | C18 | C20 | C21 | 120.5° | 120.0° |
| C17 | C18 | C21 | O22 | 154.8° | 142.5° |
| C17 | C18 | C21 | O28 | 25.3° | 37.5° |
| C18 | C17 | H171 | H172 | 118.7° | 120.8° |
| C17 | C18 | C19 | H192 | 180.0° | 60.0° |
| C17 | C18 | C19 | H191 | 60.0° | 179.9° |
| C17 | C18 | C19 | H193 | 60.0° | 60.0° |
| C17 | C18 | C20 | H203 | 180.0° | 60.1° |
| C17 | C18 | C20 | H201 | 60.0° | 180.0° |
| C17 | C18 | C20 | H202 | 60.0° | 59.9° |
| C18 | C17 | N16 | H161 | 81.0° | 21.9° |
| N16 | C17 | C18 | C19 | 71.7° | 50.1° |
| N16 | C17 | C18 | C20 | 169.0° | 170.2° |
| N16 | C17 | C18 | C21 | 49.9° | 69.9° |
| N16 | C17 | H171 | H172 | 118.7° | 120.8° |
| C19 | C18 | C20 | C21 | 118.8° | 120.0° |
| C19 | C18 | C21 | O22 | 82.6° | 22.5° |
| C19 | C18 | C21 | O28 | 97.3° | 157.5° |
| C19 | C18 | C17 | H171 | 48.7° | 69.4° |
| C19 | C18 | C17 | H172 | 167.8° | 169.8° |
| 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 | H203 | 59.3° | 59.9° |
| C19 | C18 | C20 | H201 | 179.3° | 60.0° |
| C19 | C18 | C20 | H202 | 60.7° | 180.0° |
| C20 | C18 | C21 | O22 | 35.8° | 97.5° |
| C20 | C18 | C21 | O28 | 144.3° | 82.5° |
| C20 | C18 | C17 | H171 | 70.5° | 50.6° |
| C20 | C18 | C17 | H172 | 48.6° | 70.2° |
| C20 | C18 | C19 | H192 | 60.9° | 180.0° |
| C20 | C18 | C19 | H191 | 59.1° | 60.0° |
| C20 | C18 | C19 | H193 | 179.1° | 60.0° |
| C18 | C20 | H203 | H201 | 120.0° | 120.0° |
| C18 | C20 | H203 | H202 | 120.0° | 120.1° |
| C18 | C20 | H201 | H202 | 120.0° | 120.1° |
| C18 | C21 | O22 | O28 | 179.9° | 180.0° |
| C18 | C21 | O22 | C23 | 178.4° | 179.6° |
| C21 | C18 | C17 | H171 | 170.4° | 170.6° |
| C21 | C18 | C17 | H172 | 70.5° | 49.8° |
| C21 | C18 | C19 | H192 | 57.5° | 60.0° |
| C21 | C18 | C19 | H191 | 177.5° | 59.9° |
| C21 | C18 | C19 | H193 | 62.5° | 180.0° |
| C21 | C18 | C20 | H203 | 59.5° | 179.9° |
| C21 | C18 | C20 | H201 | 60.5° | 60.0° |
| C21 | C18 | C20 | H202 | 179.5° | 60.0° |
| C21 | O22 | C23 | C24 | 164.4° | 106.4° |
| C21 | O22 | C23 | C35 | 77.1° | 133.7° |
| C21 | O22 | C23 | H231 | 45.0° | 13.6° |
| O28 | C21 | O22 | C23 | 1.8° | 0.4° |
| C24 | C23 | C35 | O22 | 118.5° | 119.9° |
| C24 | C23 | C35 | H231 | 118.8° | 120.0° |
| C24 | C23 | O22 | H231 | 119.4° | 120.0° |
| C23 | C24 | C25 | H241 | 120.3° | 120.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.0° |
| C23 | C24 | C25 | O26 | 14.7° | 0.0° |
| C23 | C24 | C25 | O27 | 165.3° | 180.0° |
| C24 | C23 | C35 | O34 | 113.8° | 115.7° |
| C24 | C23 | C35 | O36 | 66.2° | 64.3° |
| C23 | C24 | H241 | H242 | 119.1° | 120.0° |
| C35 | C23 | O22 | H231 | 122.0° | 120.1° |
| C35 | C23 | C24 | C25 | 170.9° | 175.0° |
| C23 | C35 | O34 | C33 | 175.0° | 179.9° |
| C23 | C35 | O34 | O36 | 180.0° | 180.0° |
| C35 | C23 | C24 | H241 | 68.8° | 65.0° |
| C35 | C23 | C24 | H242 | 50.6° | 55.0° |
| O22 | C23 | C24 | C25 | 68.6° | 65.2° |
| O22 | C23 | C35 | O34 | 127.7° | 124.4° |
| O22 | C23 | C35 | O36 | 52.3° | 55.6° |
| O22 | C23 | C24 | H241 | 51.7° | 54.8° |
| O22 | C23 | C24 | H242 | 171.2° | 174.8° |
| C24 | C25 | O26 | O27 | 179.9° | 179.9° |
| C25 | C24 | C23 | H231 | 51.8° | 54.9° |
| C25 | C24 | H241 | H242 | 119.1° | 120.0° |
| C24 | C25 | O27 | H1 | 179.9° | 180.0° |
| O26 | C25 | C24 | H241 | 134.9° | 120.0° |
| O26 | C25 | C24 | H242 | 105.6° | 120.0° |
| O26 | C25 | O27 | H1 | 0.0° | 0.0° |
| O27 | C25 | C24 | H241 | 45.0° | 60.1° |
| O27 | C25 | C24 | H242 | 74.5° | 60.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 135.6° | 111.0° |
| C30 | C31 | C32 | H321 | 103.9° | 129.0° |
| C30 | C31 | C32 | H322 | 15.1° | 9.0° |
| C31 | C32 | C33 | H321 | 120.5° | 120.0° |
| C31 | C32 | C33 | H322 | 120.5° | 120.0° |
| C31 | C32 | C33 | C37 | 168.2° | 163.4° |
| C31 | C32 | C33 | O34 | 46.9° | 43.4° |
| C32 | C31 | C30 | H301 | 0.1° | 0.3° |
| C31 | C32 | H321 | H322 | 118.4° | 120.0° |
| C31 | C32 | C33 | H331 | 72.1° | 76.6° |
| C32 | C33 | C37 | O34 | 121.0° | 120.2° |
| C32 | C33 | C37 | H331 | 119.7° | 120.0° |
| C32 | C33 | O34 | H331 | 118.0° | 120.0° |
| C32 | C33 | O34 | C35 | 113.7° | 119.7° |
| C32 | C33 | C37 | C38 | 172.9° | 60.0° |
| C32 | C33 | C37 | C39 | 65.2° | 180.0° |
| C33 | C32 | C31 | H311 | 44.4° | 69.1° |
| C33 | C32 | H321 | H322 | 118.4° | 120.0° |
| C32 | C33 | C37 | H371 | 54.0° | 60.0° |
| C37 | C33 | O34 | H331 | 118.4° | 119.9° |
| C37 | C33 | O34 | C35 | 122.7° | 120.3° |
| C33 | C37 | C38 | C39 | 123.4° | 120.0° |
| C33 | C37 | C38 | H371 | 118.8° | 120.0° |
| C33 | C37 | C39 | H371 | 119.1° | 120.0° |
| C33 | C37 | C39 | C40 | 101.2° | 175.0° |
| C33 | C37 | C39 | O41 | 168.3° | 119.0° |
| C37 | C33 | C32 | H321 | 71.2° | 76.5° |
| C37 | C33 | C32 | H322 | 47.7° | 43.5° |
| C33 | C37 | C38 | H381 | 180.0° | 180.0° |
| C33 | C37 | C38 | H382 | 60.0° | 60.0° |
| C33 | C37 | C38 | H383 | 60.0° | 59.9° |
| C33 | C37 | C39 | H391 | 44.0° | 28.1° |
| C33 | O34 | C35 | O36 | 5.0° | 0.1° |
| O34 | C33 | C37 | C38 | 66.2° | 179.8° |
| O34 | C33 | C37 | C39 | 55.7° | 59.8° |
| O34 | C33 | C32 | H321 | 167.4° | 163.4° |
| O34 | C33 | C32 | H322 | 73.6° | 76.6° |
| O34 | C33 | C37 | H371 | 174.9° | 60.2° |
| O34 | C35 | C23 | H231 | 5.0° | 4.4° |
| C35 | O34 | C33 | H331 | 4.3° | 0.4° |
| O36 | C35 | C23 | H231 | 175.0° | 175.6° |
| C38 | C37 | C39 | H371 | 117.8° | 120.0° |
| C38 | C37 | C39 | C40 | 135.7° | 65.0° |
| C38 | C37 | C39 | O41 | 68.6° | 1.0° |
| C38 | C37 | C33 | H331 | 53.2° | 60.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H383 | 120.0° | 120.0° |
| C37 | C38 | H382 | H383 | 120.0° | 119.9° |
| C38 | C37 | C39 | H391 | 79.1° | 148.1° |
| C37 | C39 | C40 | O41 | 107.2° | 106.9° |
| C37 | C39 | C40 | H391 | 144.8° | 146.2° |
| C37 | C39 | O41 | H391 | 147.0° | 146.4° |
| C37 | C39 | C40 | C42 | 145.4° | 146.3° |
| C39 | C37 | C33 | H331 | 175.1° | 60.0° |
| C39 | C37 | C38 | H381 | 56.6° | 60.0° |
| C39 | C37 | C38 | H382 | 63.4° | 60.0° |
| C39 | C37 | C38 | H383 | 176.6° | 180.0° |
| C37 | C39 | C40 | H401 | 0.4° | 0.0° |
| C40 | C39 | O41 | H391 | 105.3° | 106.8° |
| C39 | C40 | C42 | O41 | 67.3° | 66.0° |
| C39 | C40 | C42 | H401 | 145.1° | 146.9° |
| C39 | C40 | O41 | H401 | 104.9° | 106.8° |
| C39 | C40 | C42 | C43 | 116.5° | 95.1° |
| C39 | C40 | C42 | C47 | 63.3° | 84.8° |
| C40 | C39 | C37 | H371 | 17.9° | 55.0° |
| O41 | C39 | C37 | H371 | 49.1° | 121.0° |
| C42 | C40 | O41 | H401 | 147.0° | 146.4° |
| C40 | C42 | C43 | C47 | 179.8° | 179.8° |
| C40 | C42 | C43 | C44 | 179.9° | 180.0° |
| C40 | C42 | C47 | C46 | 179.8° | 179.8° |
| C42 | C40 | C39 | H391 | 0.6° | 0.1° |
| C40 | C42 | C43 | H431 | 0.0° | 0.0° |
| C40 | C42 | C47 | H471 | 0.2° | 0.1° |
| O41 | C40 | C42 | C43 | 176.1° | 161.0° |
| O41 | C40 | C42 | C47 | 4.1° | 18.8° |
| C42 | C43 | C44 | H431 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 0.1° | 0.0° |
| C43 | C42 | C47 | C46 | 0.0° | 0.4° |
| C43 | C42 | C40 | H401 | 28.6° | 51.9° |
| C42 | C43 | C44 | H441 | 179.9° | 180.0° |
| C43 | C42 | C47 | H471 | 180.0° | 179.7° |
| C47 | C42 | C43 | C44 | 0.1° | 0.2° |
| C42 | C47 | C46 | C45 | 0.1° | 0.4° |
| C42 | C47 | C46 | H471 | 180.0° | 179.8° |
| C47 | C42 | C40 | H401 | 151.6° | 128.3° |
| C47 | C42 | C43 | H431 | 179.8° | 179.8° |
| C42 | C47 | C46 | H461 | 179.9° | 179.8° |
| C43 | C44 | C45 | H441 | 180.0° | 180.0° |
| C43 | C44 | C45 | C46 | 0.0° | 0.0° |
| C43 | C44 | C45 | H451 | 180.0° | 179.9° |
| C44 | C45 | C46 | H451 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.1° | 0.2° |
| C45 | C44 | C43 | H431 | 179.8° | 180.0° |
| C44 | C45 | C46 | H461 | 179.9° | 180.0° |
| C45 | C46 | C47 | H461 | 180.0° | 179.8° |
| C46 | C45 | C44 | H441 | 180.0° | 180.0° |
| C45 | C46 | C47 | H471 | 179.9° | 179.7° |
| C47 | C46 | C45 | H451 | 179.9° | 179.9° |
| H141 | C14 | C13 | H131 | 0.1° | 0.0° |
| H123 | C12 | H122 | H121 | 120.0° | 120.1° |
| H041 | C04 | C05 | H051 | 83.5° | 65.5° |
| H041 | C04 | C05 | H052 | 157.2° | 174.5° |
| H041 | C04 | N03 | H031 | 127.0° | 144.4° |
| H171 | C17 | N16 | H161 | 158.5° | 97.6° |
| H172 | C17 | N16 | H161 | 39.4° | 141.6° |
| H192 | C19 | H191 | H193 | 120.0° | 120.0° |
| H203 | C20 | H201 | H202 | 120.0° | 119.9° |
| H231 | C23 | C24 | H241 | 172.1° | 174.9° |
| H231 | C23 | C24 | H242 | 68.5° | 65.1° |
| H301 | C30 | C31 | H311 | 179.9° | 179.7° |
| H311 | C31 | C32 | H321 | 76.1° | 51.0° |
| H311 | C31 | C32 | H322 | 164.9° | 170.9° |
| H321 | C32 | C33 | H331 | 48.5° | 43.5° |
| H322 | C32 | C33 | H331 | 167.4° | 163.4° |
| H331 | C33 | C37 | H371 | 65.7° | 179.9° |
| H371 | C37 | C38 | H381 | 61.2° | 60.0° |
| H371 | C37 | C38 | H382 | 178.8° | 180.0° |
| H371 | C37 | C38 | H383 | 58.8° | 60.0° |
| H371 | C37 | C39 | H391 | 163.1° | 91.9° |
| H381 | C38 | H382 | H383 | 120.0° | 120.1° |
| H391 | C39 | C40 | H401 | 144.4° | 146.2° |
| H431 | C43 | C44 | H441 | 0.1° | 0.0° |
| H441 | C44 | C45 | H451 | 0.0° | 0.0° |
| H451 | C45 | C46 | H461 | 0.1° | 0.1° |
| H461 | C46 | C47 | H471 | 0.1° | 0.0° |
