Y3R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| C04 | N03 | sing | 1.46Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C06 | C04 | sing | 1.51Å | 1.58Å | |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| S13 | C12 | sing | 1.76Å | 1.73Å | Aromatic |
| C14 | S13 | sing | 1.76Å | 1.69Å | Aromatic |
| C15 | C14 | doub | 1.33Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.55Å | |
| C16 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.42Å | |
| C17 | C02 | sing | 1.48Å | 1.57Å | |
| C18 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| C21 | C20 | sing | 1.51Å | 1.59Å | |
| N23 | N22 | sing | 1.40Å | 1.40Å | |
| C24 | N23 | sing | 1.35Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.31Å | |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C29 | O28 | sing | 1.45Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| O28 | C27 | sing | 1.34Å | 1.34Å | |
| O31 | C27 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.51Å | 1.49Å | |
| O32 | C24 | doub | 1.21Å | 1.19Å | |
| N22 | C21 | sing | 1.35Å | 1.45Å | |
| O33 | C21 | doub | 1.21Å | 1.16Å | |
| C19 | C18 | sing | 1.51Å | 1.55Å | |
| C34 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C15 | sing | 1.39Å | 1.47Å | Aromatic |
| C17 | C37 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H053 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 118.6° | 120.0° |
| O01 | C02 | C17 | 118.0° | 120.0° |
| N03 | C04 | C05 | 110.7° | 109.5° |
| N03 | C04 | C06 | 111.9° | 109.4° |
| C04 | N03 | C02 | 127.8° | 120.0° |
| N03 | C04 | H041 | 107.9° | 109.5° |
| C04 | N03 | H031 | 116.1° | 120.1° |
| C05 | C04 | C06 | 111.6° | 109.4° |
| C05 | C04 | H041 | 107.4° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.5° |
| C04 | C05 | H053 | 109.5° | 109.5° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C04 | C06 | C07 | 121.7° | 120.0° |
| C04 | C06 | C16 | 122.6° | 119.9° |
| C06 | C04 | H041 | 107.1° | 109.4° |
| C06 | C07 | C08 | 120.3° | 120.2° |
| C07 | C06 | C16 | 115.7° | 120.1° |
| C06 | C07 | H071 | 119.9° | 119.8° |
| C07 | C08 | C09 | 121.0° | 120.1° |
| C08 | C07 | H071 | 119.8° | 119.9° |
| C07 | C08 | H081 | 119.5° | 119.9° |
| C08 | C09 | C10 | 123.6° | 119.9° |
| C09 | C08 | H081 | 119.5° | 120.0° |
| C08 | C09 | H091 | 118.2° | 120.0° |
| C09 | C10 | C11 | 124.4° | 120.1° |
| C09 | C10 | C16 | 111.9° | 119.8° |
| C10 | C09 | H091 | 118.2° | 120.1° |
| C11 | C12 | S13 | 117.8° | 109.6° |
| C12 | C11 | C10 | 127.2° | 122.8° |
| C12 | C11 | C15 | 103.4° | 114.4° |
| C11 | C12 | H121 | 121.1° | 125.2° |
| C12 | S13 | C14 | 90.0° | 91.1° |
| S13 | C12 | H121 | 121.1° | 125.2° |
| S13 | C14 | C15 | 110.8° | 109.9° |
| S13 | C14 | H141 | 124.6° | 125.0° |
| C14 | C15 | C11 | 118.1° | 114.9° |
| C14 | C15 | H151 | 120.9° | 122.6° |
| C15 | C14 | H141 | 124.6° | 125.1° |
| C11 | C10 | C16 | 123.7° | 120.1° |
| C10 | C11 | C15 | 129.5° | 122.8° |
| C10 | C16 | C06 | 127.6° | 119.9° |
| C10 | C16 | H161 | 116.2° | 120.1° |
| N03 | C02 | C17 | 123.4° | 120.0° |
| C02 | N03 | H031 | 116.1° | 119.9° |
| C02 | C17 | C18 | 126.6° | 120.2° |
| C02 | C17 | C37 | 114.8° | 120.1° |
| C17 | C18 | C19 | 126.1° | 120.1° |
| C17 | C18 | C34 | 117.0° | 119.9° |
| C18 | C17 | C37 | 118.6° | 119.7° |
| C19 | C20 | C21 | 118.7° | 109.5° |
| C20 | C19 | C18 | 122.4° | 109.5° |
| C19 | C20 | H202 | 107.1° | 109.5° |
| C19 | C20 | H201 | 107.1° | 109.5° |
| C20 | C19 | H192 | 106.1° | 109.5° |
| C20 | C19 | H191 | 106.2° | 109.5° |
| C20 | C21 | N22 | 117.5° | 120.0° |
| C20 | C21 | O33 | 120.2° | 120.0° |
| C21 | C20 | H202 | 107.1° | 109.5° |
| C21 | C20 | H201 | 107.1° | 109.4° |
| N22 | N23 | C24 | 127.3° | 120.0° |
| N23 | N22 | C21 | 125.8° | 120.0° |
| N23 | N22 | H221 | 117.1° | 120.0° |
| N22 | N23 | H231 | 116.3° | 120.0° |
| N23 | C24 | C25 | 112.4° | 120.0° |
| N23 | C24 | O32 | 123.2° | 120.0° |
| C24 | N23 | H231 | 116.3° | 120.0° |
| C25 | C26 | C27 | 123.7° | 109.5° |
| C26 | C25 | C24 | 117.4° | 109.5° |
| C25 | C26 | H261 | 105.8° | 109.5° |
| C26 | C25 | H251 | 107.5° | 109.4° |
| C25 | C26 | H262 | 105.8° | 109.5° |
| C26 | C25 | H252 | 107.4° | 109.5° |
| C26 | C27 | O28 | 126.0° | 120.0° |
| C26 | C27 | O31 | 112.8° | 120.0° |
| C27 | C26 | H261 | 105.8° | 109.4° |
| C27 | C26 | H262 | 105.8° | 109.5° |
| O28 | C29 | C30 | 114.8° | 109.5° |
| C29 | O28 | C27 | 117.7° | 117.0° |
| O28 | C29 | H291 | 108.1° | 109.5° |
| O28 | C29 | H292 | 108.1° | 109.5° |
| C30 | C29 | H291 | 108.1° | 109.5° |
| C30 | C29 | H292 | 108.1° | 109.4° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| O28 | C27 | O31 | 121.3° | 120.0° |
| C25 | C24 | O32 | 124.4° | 120.0° |
| C24 | C25 | H251 | 107.5° | 109.5° |
| C24 | C25 | H252 | 107.4° | 109.5° |
| N22 | C21 | O33 | 122.2° | 120.0° |
| C21 | N22 | H221 | 117.1° | 120.0° |
| C19 | C18 | C34 | 116.9° | 120.0° |
| C18 | C19 | H192 | 106.1° | 109.5° |
| C18 | C19 | H191 | 106.1° | 109.5° |
| C18 | C34 | C35 | 123.1° | 120.1° |
| C18 | C34 | H341 | 118.5° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.3° |
| C35 | C34 | H341 | 118.5° | 119.9° |
| C34 | C35 | H351 | 120.0° | 119.9° |
| C35 | C36 | C37 | 119.1° | 120.2° |
| C36 | C35 | H351 | 120.1° | 119.8° |
| C35 | C36 | H361 | 120.4° | 119.9° |
| C36 | C37 | C17 | 122.3° | 119.8° |
| C37 | C36 | H361 | 120.4° | 119.9° |
| C36 | C37 | H371 | 118.9° | 120.1° |
| C06 | C16 | H161 | 116.2° | 120.1° |
| C11 | C15 | H151 | 121.0° | 122.5° |
| C17 | C37 | H371 | 118.9° | 120.1° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H051 | C05 | H053 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H053 | C05 | H052 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 0.3° | 0.0° |
| O01 | C02 | N03 | C17 | 179.2° | 179.9° |
| O01 | C02 | C17 | C18 | 61.9° | 5.2° |
| O01 | C02 | C17 | C37 | 118.3° | 174.4° |
| O01 | C02 | N03 | H031 | 179.7° | 179.9° |
| N03 | C04 | C05 | C06 | 125.3° | 120.0° |
| N03 | C04 | C05 | H041 | 117.6° | 120.1° |
| N03 | C04 | C06 | H041 | 118.0° | 120.0° |
| N03 | C04 | C06 | C07 | 120.7° | 40.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C17 | 178.9° | 180.0° |
| N03 | C04 | C06 | C16 | 58.5° | 140.0° |
| N03 | C04 | C05 | H051 | 180.0° | 179.9° |
| N03 | C04 | C05 | H053 | 60.0° | 60.0° |
| N03 | C04 | C05 | H052 | 60.0° | 60.0° |
| C05 | C04 | C06 | H041 | 117.3° | 120.0° |
| C05 | C04 | C06 | C07 | 114.6° | 80.0° |
| C05 | C04 | N03 | C02 | 163.2° | 85.0° |
| C05 | C04 | C06 | C16 | 66.1° | 100.0° |
| C04 | C05 | H051 | H053 | 120.0° | 120.0° |
| C04 | C05 | H051 | H052 | 120.0° | 120.0° |
| C04 | C05 | H053 | H052 | 120.0° | 120.0° |
| C05 | C04 | N03 | H031 | 16.8° | 95.0° |
| C04 | C06 | C07 | C16 | 179.3° | 180.0° |
| C04 | C06 | C07 | C08 | 179.7° | 179.8° |
| C04 | C06 | C16 | C10 | 179.7° | 180.0° |
| C06 | C04 | N03 | C02 | 71.6° | 155.0° |
| C06 | C04 | C05 | H051 | 54.7° | 60.0° |
| C06 | C04 | C05 | H053 | 65.3° | 60.0° |
| C06 | C04 | C05 | H052 | 174.7° | 180.0° |
| C04 | C06 | C07 | H071 | 0.3° | 0.1° |
| C04 | C06 | C16 | H161 | 0.3° | 0.0° |
| C06 | C04 | N03 | H031 | 108.4° | 25.0° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C06 | C07 | C08 | C09 | 0.2° | 0.5° |
| C07 | C06 | C16 | C10 | 0.4° | 0.0° |
| C07 | C06 | C04 | H041 | 2.7° | 160.0° |
| C06 | C07 | C08 | H081 | 179.7° | 180.0° |
| C07 | C06 | C16 | H161 | 179.6° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.5° |
| C07 | C08 | C09 | C10 | 0.0° | 0.5° |
| C08 | C07 | C06 | C16 | 0.4° | 0.2° |
| C07 | C08 | C09 | H091 | 179.9° | 179.4° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.9° | 180.0° |
| C08 | C09 | C10 | C16 | 0.0° | 0.3° |
| C09 | C08 | C07 | H071 | 179.7° | 179.7° |
| C09 | C10 | C11 | C12 | 14.3° | 180.0° |
| C09 | C10 | C11 | C16 | 179.9° | 179.7° |
| C09 | C10 | C16 | C06 | 0.2° | 0.0° |
| C09 | C10 | C11 | C15 | 165.6° | 0.0° |
| C10 | C09 | C08 | H081 | 179.9° | 180.0° |
| C09 | C10 | C16 | H161 | 179.8° | 180.0° |
| C11 | C12 | S13 | H121 | 180.0° | 180.0° |
| C11 | C12 | S13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C15 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | C15 | 179.8° | 180.0° |
| C12 | C11 | C10 | C16 | 165.8° | 0.2° |
| C12 | C11 | C15 | H151 | 180.0° | 179.7° |
| C12 | S13 | C14 | C15 | 0.0° | 0.0° |
| S13 | C12 | C11 | C10 | 179.9° | 180.0° |
| S13 | C12 | C11 | C15 | 0.1° | 0.0° |
| C12 | S13 | C14 | H141 | 180.0° | 179.7° |
| S13 | C14 | C15 | H141 | 180.0° | 179.7° |
| S13 | C14 | C15 | C11 | 0.0° | 0.1° |
| S13 | C14 | C15 | H151 | 180.0° | 179.7° |
| C14 | S13 | C12 | H121 | 180.0° | 180.0° |
| C14 | C15 | C11 | C10 | 179.9° | 180.0° |
| C14 | C15 | C11 | H151 | 180.0° | 179.6° |
| C11 | C10 | C16 | C06 | 179.9° | 179.7° |
| C10 | C11 | C15 | H151 | 0.1° | 0.4° |
| C11 | C10 | C09 | H091 | 0.0° | 0.0° |
| C10 | C11 | C12 | H121 | 0.1° | 0.0° |
| C11 | C10 | C16 | H161 | 0.1° | 0.3° |
| C10 | C16 | C06 | H161 | 180.0° | 180.0° |
| C16 | C10 | C11 | C15 | 14.4° | 179.7° |
| C16 | C10 | C09 | H091 | 180.0° | 179.7° |
| N03 | C02 | C17 | C18 | 119.0° | 174.7° |
| N03 | C02 | C17 | C37 | 60.9° | 5.6° |
| C02 | N03 | C04 | H041 | 45.9° | 35.0° |
| C02 | C17 | C18 | C37 | 179.8° | 179.7° |
| C02 | C17 | C18 | C19 | 0.3° | 0.0° |
| C02 | C17 | C18 | C34 | 180.0° | 180.0° |
| C02 | C17 | C37 | C36 | 180.0° | 179.7° |
| C02 | C17 | C37 | H371 | 0.0° | 0.0° |
| C17 | C02 | N03 | H031 | 1.1° | 0.0° |
| C17 | C18 | C19 | C20 | 41.5° | 81.6° |
| C17 | C18 | C19 | C34 | 179.7° | 180.0° |
| C17 | C18 | C34 | C35 | 0.2° | 0.0° |
| C18 | C17 | C37 | C36 | 0.1° | 0.6° |
| C17 | C18 | C19 | H192 | 80.2° | 38.4° |
| C17 | C18 | C19 | H191 | 163.3° | 158.4° |
| C17 | C18 | C34 | H341 | 179.8° | 179.9° |
| C18 | C17 | C37 | H371 | 179.8° | 179.7° |
| C19 | C20 | C21 | H202 | 121.3° | 120.0° |
| C19 | C20 | C21 | H201 | 121.3° | 120.0° |
| C19 | C20 | C21 | N22 | 117.8° | 180.0° |
| C19 | C20 | C21 | O33 | 61.9° | 0.0° |
| C20 | C19 | C18 | H192 | 121.8° | 120.0° |
| C20 | C19 | C18 | H191 | 121.8° | 120.0° |
| C20 | C19 | C18 | C34 | 138.8° | 98.5° |
| C19 | C20 | H202 | H201 | 115.8° | 120.0° |
| C20 | C19 | H192 | H191 | 114.2° | 120.0° |
| C20 | C21 | N22 | N23 | 179.7° | 180.0° |
| C20 | C21 | N22 | O33 | 179.6° | 179.9° |
| C21 | C20 | C19 | C18 | 165.1° | 180.0° |
| C21 | C20 | H202 | H201 | 115.8° | 119.9° |
| C21 | C20 | C19 | H192 | 73.1° | 60.0° |
| C21 | C20 | C19 | H191 | 43.3° | 60.0° |
| C20 | C21 | N22 | H221 | 0.3° | 0.0° |
| N22 | N23 | C24 | H231 | 180.0° | 180.0° |
| N22 | N23 | C24 | C25 | 179.5° | 180.0° |
| N22 | N23 | C24 | O32 | 0.3° | 0.1° |
| N23 | N22 | C21 | H221 | 180.0° | 180.0° |
| N23 | N22 | C21 | O33 | 0.7° | 0.1° |
| N23 | C24 | C25 | C26 | 54.3° | 180.0° |
| N23 | C24 | C25 | O32 | 179.8° | 179.9° |
| C24 | N23 | N22 | C21 | 104.6° | NaN° |
| N23 | C24 | C25 | H251 | 175.4° | 60.0° |
| C24 | N23 | N22 | H221 | 75.4° | 0.0° |
| N23 | C24 | C25 | H252 | 66.9° | 60.0° |
| C25 | C26 | C27 | H261 | 121.9° | 120.0° |
| C25 | C26 | C27 | H262 | 121.9° | 120.0° |
| C25 | C26 | C27 | O28 | 150.6° | 180.0° |
| C25 | C26 | C27 | O31 | 28.5° | 0.0° |
| C26 | C25 | C24 | H251 | 121.2° | 120.0° |
| C26 | C25 | C24 | H252 | 121.1° | 120.0° |
| C26 | C25 | C24 | O32 | 125.9° | 0.0° |
| C25 | C26 | H261 | H262 | 113.6° | 120.0° |
| C26 | C25 | H251 | H252 | 116.4° | 120.0° |
| C26 | C27 | O28 | C29 | 145.3° | 180.0° |
| C26 | C27 | O28 | O31 | 179.1° | 179.9° |
| C27 | C26 | C25 | C24 | 179.3° | 180.0° |
| C27 | C26 | H261 | H262 | 113.6° | 120.0° |
| C27 | C26 | C25 | H251 | 59.6° | 60.0° |
| C27 | C26 | C25 | H252 | 58.1° | 60.0° |
| O28 | C29 | C30 | H291 | 120.8° | 120.1° |
| O28 | C29 | C30 | H292 | 120.8° | 120.0° |
| C29 | O28 | C27 | O31 | 35.6° | 0.1° |
| O28 | C29 | H291 | H292 | 117.6° | 120.1° |
| O28 | C29 | C30 | H302 | 180.0° | 180.0° |
| O28 | C29 | C30 | H301 | 60.0° | 60.1° |
| O28 | C29 | C30 | H303 | 60.0° | 59.9° |
| C30 | C29 | O28 | C27 | 113.7° | 180.0° |
| C30 | C29 | H291 | H292 | 117.6° | 119.9° |
| C29 | C30 | H302 | H301 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.1° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| O28 | C27 | C26 | H261 | 87.4° | 60.0° |
| C27 | O28 | C29 | H291 | 7.1° | 60.0° |
| C27 | O28 | C29 | H292 | 125.5° | 60.1° |
| O28 | C27 | C26 | H262 | 28.7° | 59.9° |
| O31 | C27 | C26 | H261 | 93.4° | 120.1° |
| O31 | C27 | C26 | H262 | 150.5° | 120.0° |
| C24 | C25 | C26 | H261 | 58.8° | 60.0° |
| C24 | C25 | H251 | H252 | 116.4° | 120.0° |
| C25 | C24 | N23 | H231 | 0.5° | 0.0° |
| C24 | C25 | C26 | H262 | 57.3° | 60.0° |
| O32 | C24 | C25 | H251 | 4.8° | 119.9° |
| O32 | C24 | N23 | H231 | 179.7° | 180.0° |
| O32 | C24 | C25 | H252 | 112.9° | 120.1° |
| N22 | C21 | C20 | H202 | 120.9° | 60.0° |
| N22 | C21 | C20 | H201 | 3.5° | 59.9° |
| C21 | N22 | N23 | H231 | 75.4° | 0.0° |
| O33 | C21 | C20 | H202 | 59.5° | 120.1° |
| O33 | C21 | C20 | H201 | 176.8° | 120.0° |
| O33 | C21 | N22 | H221 | 179.3° | 180.0° |
| C19 | C18 | C34 | C35 | 179.9° | 180.0° |
| C19 | C18 | C17 | C37 | 179.9° | 179.7° |
| C18 | C19 | C20 | H202 | 73.5° | 60.0° |
| C18 | C19 | C20 | H201 | 43.8° | 60.0° |
| C18 | C19 | H192 | H191 | 114.2° | 120.0° |
| C19 | C18 | C34 | H341 | 0.1° | 0.0° |
| C18 | C34 | C35 | H341 | 180.0° | 179.9° |
| C18 | C34 | C35 | C36 | 0.1° | 0.0° |
| C34 | C18 | C17 | C37 | 0.2° | 0.3° |
| C34 | C18 | C19 | H192 | 99.4° | 141.6° |
| C34 | C18 | C19 | H191 | 17.0° | 21.6° |
| C18 | C34 | C35 | H351 | 179.9° | 180.0° |
| C34 | C35 | C36 | H351 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.0° | 0.2° |
| C34 | C35 | C36 | H361 | 180.0° | 179.9° |
| C35 | C36 | C37 | H361 | 180.0° | 179.7° |
| C35 | C36 | C37 | C17 | 0.0° | 0.5° |
| C36 | C35 | C34 | H341 | 179.9° | 180.0° |
| C35 | C36 | C37 | H371 | 179.9° | 179.7° |
| C36 | C37 | C17 | H371 | 180.0° | 179.7° |
| C37 | C36 | C35 | H351 | 180.0° | 179.7° |
| C16 | C06 | C04 | H041 | 176.6° | 20.0° |
| C16 | C06 | C07 | H071 | 179.6° | 179.9° |
| C15 | C11 | C12 | H121 | 180.0° | 180.0° |
| C11 | C15 | C14 | H141 | 180.0° | 179.7° |
| C17 | C37 | C36 | H361 | 179.9° | 179.7° |
| H151 | C15 | C14 | H141 | 0.0° | 0.1° |
| H202 | C20 | C19 | H192 | 48.2° | 180.0° |
| H202 | C20 | C19 | H191 | 164.7° | 60.0° |
| H201 | C20 | C19 | H192 | 165.6° | 60.0° |
| H201 | C20 | C19 | H191 | 78.0° | 180.0° |
| H261 | C26 | C25 | H251 | 62.4° | 180.0° |
| H261 | C26 | C25 | H252 | 179.9° | 60.0° |
| H041 | C04 | C05 | H051 | 62.4° | 60.0° |
| H041 | C04 | C05 | H053 | 177.6° | 180.0° |
| H041 | C04 | C05 | H052 | 57.6° | 60.1° |
| H041 | C04 | N03 | H031 | 134.1° | 144.9° |
| H051 | C05 | H053 | H052 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 0.3° | 0.2° |
| H081 | C08 | C09 | H091 | 0.1° | 0.1° |
| H251 | C25 | C26 | H262 | 178.5° | 60.0° |
| H291 | C29 | C30 | H302 | 59.2° | 59.9° |
| H291 | C29 | C30 | H301 | 179.2° | 60.0° |
| H291 | C29 | C30 | H303 | 60.8° | 180.0° |
| H292 | C29 | C30 | H302 | 59.2° | 60.0° |
| H292 | C29 | C30 | H301 | 60.8° | 179.9° |
| H292 | C29 | C30 | H303 | 179.2° | 60.0° |
| H302 | C30 | H301 | H303 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.1° | 0.1° |
| H351 | C35 | C36 | H361 | 0.0° | 0.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.0° |
| H221 | N22 | N23 | H231 | 104.6° | 180.0° |
| H262 | C26 | C25 | H252 | 63.8° | NaN° |
