JA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.24Å | |
| C02 | C04 | sing | 1.41Å | 1.48Å | |
| C02 | N03 | sing | 1.34Å | 1.43Å | |
| C04 | C05 | doub | 1.36Å | 1.39Å | |
| N03 | C07 | sing | 1.38Å | 1.46Å | |
| C05 | C06 | sing | 1.46Å | 1.50Å | |
| C07 | C06 | doub | 1.41Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.46Å | Aromatic |
| C06 | C43 | sing | 1.40Å | 1.46Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C43 | C10 | doub | 1.37Å | 1.42Å | Aromatic |
| C38 | C37 | doub | 1.33Å | 1.37Å | Aromatic |
| C38 | S39 | sing | 1.76Å | 1.75Å | Aromatic |
| O22 | C21 | doub | 1.21Å | 1.28Å | |
| C09 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | S11 | sing | 1.76Å | 1.97Å | |
| C37 | C36 | sing | 1.38Å | 1.49Å | Aromatic |
| S39 | C35 | sing | 1.76Å | 1.77Å | Aromatic |
| O41 | S11 | doub | 1.42Å | 1.42Å | |
| C21 | O23 | sing | 1.34Å | 1.27Å | |
| C21 | C20 | sing | 1.51Å | 1.58Å | |
| O42 | S11 | doub | 1.42Å | 1.42Å | |
| S11 | N12 | sing | 1.66Å | 1.70Å | |
| C36 | C35 | doub | 1.33Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.57Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C30 | N29 | sing | 1.46Å | 1.51Å | |
| C30 | C31 | sing | 1.51Å | 1.59Å | |
| N12 | C13 | sing | 1.47Å | 1.54Å | |
| O40 | C28 | doub | 1.21Å | 1.25Å | |
| N29 | C28 | sing | 1.35Å | 1.41Å | |
| N29 | C34 | sing | 1.46Å | 1.52Å | |
| C28 | C13 | sing | 1.51Å | 1.65Å | |
| C19 | C18 | sing | 1.53Å | 1.59Å | |
| O33 | C31 | doub | 1.21Å | 1.26Å | |
| C13 | C14 | sing | 1.51Å | 1.57Å | |
| C31 | O32 | sing | 1.34Å | 1.27Å | |
| C18 | C17 | sing | 1.53Å | 1.60Å | |
| O16 | C17 | sing | 1.43Å | 1.47Å | |
| O16 | C15 | sing | 1.36Å | 1.39Å | |
| C14 | C15 | doub | 1.39Å | 1.45Å | Aromatic |
| C14 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| O32 | H2 | sing | 0.97Å | 0.95Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C04 | 122.7° | 119.2° |
| O01 | C02 | N03 | 118.9° | 119.2° |
| C04 | C02 | N03 | 118.4° | 121.6° |
| C02 | C04 | C05 | 119.9° | 120.3° |
| C02 | C04 | H041 | 120.1° | 119.9° |
| C02 | N03 | C07 | 121.9° | 121.0° |
| C02 | N03 | H031 | 119.1° | 119.5° |
| C04 | C05 | C06 | 122.1° | 118.5° |
| C05 | C04 | H041 | 120.1° | 119.8° |
| C04 | C05 | H051 | 119.0° | 120.7° |
| N03 | C07 | C06 | 119.9° | 119.6° |
| N03 | C07 | C08 | 122.3° | 121.0° |
| C07 | N03 | H031 | 119.0° | 119.5° |
| C05 | C06 | C07 | 117.9° | 119.0° |
| C05 | C06 | C43 | 124.3° | 121.2° |
| C06 | C05 | H051 | 119.0° | 120.8° |
| C06 | C07 | C08 | 117.8° | 119.4° |
| C07 | C06 | C43 | 117.8° | 119.8° |
| C07 | C08 | C09 | 121.8° | 119.8° |
| C07 | C08 | H081 | 119.1° | 120.1° |
| C06 | C43 | C10 | 125.6° | 119.7° |
| C06 | C43 | H431 | 117.2° | 120.1° |
| C08 | C09 | C10 | 122.1° | 120.7° |
| C09 | C08 | H081 | 119.1° | 120.1° |
| C08 | C09 | H091 | 119.0° | 119.7° |
| C43 | C10 | C09 | 114.9° | 120.6° |
| C43 | C10 | S11 | 122.4° | 119.7° |
| C10 | C43 | H431 | 117.2° | 120.2° |
| C37 | C38 | S39 | 108.1° | 109.6° |
| C38 | C37 | C36 | 113.6° | 114.9° |
| C38 | C37 | H371 | 123.2° | 122.6° |
| C37 | C38 | H381 | 126.0° | 125.2° |
| C38 | S39 | C35 | 97.0° | 91.0° |
| S39 | C38 | H381 | 126.0° | 125.2° |
| O22 | C21 | O23 | 121.5° | 120.0° |
| O22 | C21 | C20 | 120.0° | 120.0° |
| C09 | C10 | S11 | 122.7° | 119.7° |
| C10 | C09 | H091 | 118.9° | 119.6° |
| C10 | S11 | O41 | 108.6° | 106.4° |
| C10 | S11 | O42 | 107.2° | 106.4° |
| C10 | S11 | N12 | 104.7° | 107.2° |
| C37 | C36 | C35 | 115.7° | 114.9° |
| C37 | C36 | H361 | 122.2° | 122.5° |
| C36 | C37 | H371 | 123.2° | 122.5° |
| S39 | C35 | C36 | 105.7° | 109.6° |
| S39 | C35 | C34 | 121.8° | 125.2° |
| O41 | S11 | O42 | 111.2° | 123.1° |
| O41 | S11 | N12 | 113.2° | 106.4° |
| O23 | C21 | C20 | 118.5° | 120.0° |
| C21 | O23 | H1 | 109.5° | 117.0° |
| C21 | C20 | C19 | 116.3° | 109.5° |
| C21 | C20 | H201 | 107.7° | 109.5° |
| C21 | C20 | H202 | 107.8° | 109.5° |
| O42 | S11 | N12 | 111.5° | 106.4° |
| S11 | N12 | C13 | 120.9° | 120.0° |
| S11 | N12 | H121 | 106.5° | 120.0° |
| C36 | C35 | C34 | 132.5° | 125.2° |
| C35 | C36 | H361 | 122.2° | 122.6° |
| C35 | C34 | N29 | 118.1° | 109.5° |
| C35 | C34 | H341 | 107.3° | 109.5° |
| C35 | C34 | H342 | 107.3° | 109.5° |
| C20 | C19 | C18 | 114.3° | 109.5° |
| C19 | C20 | H201 | 107.8° | 109.5° |
| C19 | C20 | H202 | 107.7° | 109.4° |
| C20 | C19 | H191 | 108.3° | 109.5° |
| C20 | C19 | H192 | 108.3° | 109.5° |
| N29 | C30 | C31 | 116.9° | 109.5° |
| C30 | N29 | C28 | 121.1° | 120.0° |
| C30 | N29 | C34 | 116.5° | 120.0° |
| N29 | C30 | H302 | 107.6° | 109.5° |
| N29 | C30 | H301 | 107.6° | 109.5° |
| C30 | C31 | O33 | 119.9° | 120.0° |
| C30 | C31 | O32 | 116.2° | 120.0° |
| C31 | C30 | H302 | 107.6° | 109.4° |
| C31 | C30 | H301 | 107.6° | 109.5° |
| N12 | C13 | C28 | 113.5° | 109.5° |
| N12 | C13 | C14 | 113.1° | 109.5° |
| C13 | N12 | H121 | 106.5° | 120.0° |
| N12 | C13 | H131 | 105.6° | 109.5° |
| O40 | C28 | N29 | 123.5° | 120.0° |
| O40 | C28 | C13 | 111.7° | 120.0° |
| C28 | N29 | C34 | 122.4° | 120.0° |
| N29 | C28 | C13 | 124.8° | 120.0° |
| N29 | C34 | H341 | 107.3° | 109.5° |
| N29 | C34 | H342 | 107.3° | 109.5° |
| C28 | C13 | C14 | 113.7° | 109.5° |
| C28 | C13 | H131 | 104.6° | 109.5° |
| C19 | C18 | C17 | 115.7° | 109.5° |
| C19 | C18 | H182 | 107.9° | 109.5° |
| C19 | C18 | H181 | 107.9° | 109.5° |
| C18 | C19 | H191 | 108.2° | 109.4° |
| C18 | C19 | H192 | 108.2° | 109.4° |
| O33 | C31 | O32 | 123.9° | 120.0° |
| C13 | C14 | C15 | 122.5° | 120.0° |
| C13 | C14 | C27 | 119.8° | 120.0° |
| C14 | C13 | H131 | 105.3° | 109.5° |
| C31 | O32 | H2 | 109.5° | 117.0° |
| C18 | C17 | O16 | 114.6° | 109.5° |
| C18 | C17 | H171 | 108.2° | 109.5° |
| C18 | C17 | H172 | 108.2° | 109.5° |
| C17 | C18 | H182 | 107.9° | 109.5° |
| C17 | C18 | H181 | 107.9° | 109.5° |
| C17 | O16 | C15 | 122.3° | 117.0° |
| O16 | C17 | H171 | 108.2° | 109.5° |
| O16 | C17 | H172 | 108.2° | 109.5° |
| O16 | C15 | C14 | 119.2° | 120.1° |
| O16 | C15 | C24 | 121.9° | 120.1° |
| C15 | C14 | C27 | 117.7° | 119.9° |
| C14 | C15 | C24 | 119.0° | 119.8° |
| C14 | C27 | C26 | 122.6° | 120.1° |
| C14 | C27 | H271 | 118.7° | 120.0° |
| C15 | C24 | C25 | 121.9° | 120.0° |
| C15 | C24 | H241 | 119.1° | 120.0° |
| C27 | C26 | C25 | 118.5° | 120.1° |
| C27 | C26 | H261 | 120.8° | 120.0° |
| C26 | C27 | H271 | 118.7° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.1° |
| C25 | C24 | H241 | 119.0° | 120.1° |
| C24 | C25 | H251 | 119.8° | 120.0° |
| C25 | C26 | H261 | 120.8° | 119.9° |
| C26 | C25 | H251 | 119.8° | 120.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C04 | N03 | 179.8° | 180.0° |
| O01 | C02 | C04 | C05 | 179.9° | 180.0° |
| O01 | C02 | N03 | C07 | 180.0° | 180.0° |
| O01 | C02 | N03 | H031 | 0.0° | 0.0° |
| O01 | C02 | C04 | H041 | 0.1° | 0.0° |
| C02 | C04 | C05 | H041 | 180.0° | 180.0° |
| C04 | C02 | N03 | C07 | 0.2° | 0.0° |
| C02 | C04 | C05 | C06 | 0.1° | 0.1° |
| C04 | C02 | N03 | H031 | 179.8° | 180.0° |
| C02 | C04 | C05 | H051 | 179.9° | 180.0° |
| N03 | C02 | C04 | C05 | 0.0° | 0.0° |
| C02 | N03 | C07 | H031 | 180.0° | 180.0° |
| C02 | N03 | C07 | C06 | 0.1° | 0.0° |
| C02 | N03 | C07 | C08 | 179.7° | 179.7° |
| N03 | C02 | C04 | H041 | 179.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.2° | 0.1° |
| C04 | C05 | C06 | C43 | 179.7° | 179.9° |
| N03 | C07 | C06 | C05 | 0.0° | 0.1° |
| N03 | C07 | C06 | C08 | 179.8° | 179.7° |
| N03 | C07 | C06 | C43 | 179.9° | 179.9° |
| N03 | C07 | C08 | C09 | 179.7° | 180.0° |
| N03 | C07 | C08 | H081 | 0.3° | 0.1° |
| C05 | C06 | C07 | C43 | 179.9° | 179.9° |
| C05 | C06 | C07 | C08 | 179.9° | 179.7° |
| C05 | C06 | C43 | C10 | 179.5° | 180.0° |
| C06 | C05 | C04 | H041 | 179.9° | 179.9° |
| C05 | C06 | C43 | H431 | 0.5° | 0.2° |
| C06 | C07 | C08 | C09 | 0.4° | 0.3° |
| C07 | C06 | C43 | C10 | 0.4° | 0.1° |
| C06 | C07 | N03 | H031 | 179.9° | 180.0° |
| C07 | C06 | C05 | H051 | 179.8° | 180.0° |
| C06 | C07 | C08 | H081 | 179.5° | 179.8° |
| C07 | C06 | C43 | H431 | 179.6° | 180.0° |
| C08 | C07 | C06 | C43 | 0.1° | 0.2° |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 1.2° | 0.0° |
| C08 | C07 | N03 | H031 | 0.3° | 0.3° |
| C07 | C08 | C09 | H091 | 178.8° | 180.0° |
| C06 | C43 | C10 | H431 | 180.0° | 179.9° |
| C06 | C43 | C10 | C09 | 1.1° | 0.3° |
| C06 | C43 | C10 | S11 | 178.8° | 180.0° |
| C43 | C06 | C05 | H051 | 0.3° | 0.2° |
| C08 | C09 | C10 | C43 | 1.5° | 0.3° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | S11 | 179.2° | 180.0° |
| C43 | C10 | C09 | S11 | 177.7° | 179.7° |
| C43 | C10 | S11 | O41 | 124.4° | 23.9° |
| C43 | C10 | S11 | O42 | 4.2° | 156.7° |
| C43 | C10 | S11 | N12 | 114.4° | 89.7° |
| C43 | C10 | C09 | H091 | 178.5° | 179.7° |
| C37 | C38 | S39 | H381 | 180.0° | 179.8° |
| C38 | C37 | C36 | H371 | 180.0° | 180.0° |
| C37 | C38 | S39 | C35 | 0.4° | 0.3° |
| C38 | C37 | C36 | C35 | 0.2° | 0.0° |
| C38 | C37 | C36 | H361 | 179.9° | 180.0° |
| S39 | C38 | C37 | C36 | 0.4° | 0.2° |
| C38 | S39 | C35 | C36 | 0.3° | 0.3° |
| C38 | S39 | C35 | C34 | 179.5° | 180.0° |
| S39 | C38 | C37 | H371 | 179.7° | 179.8° |
| O22 | C21 | O23 | C20 | 179.9° | 180.0° |
| O22 | C21 | C20 | C19 | 143.9° | 0.0° |
| O22 | C21 | C20 | H201 | 95.1° | 120.0° |
| O22 | C21 | C20 | H202 | 22.9° | 120.0° |
| O22 | C21 | O23 | H1 | 0.0° | 0.0° |
| C09 | C10 | S11 | O41 | 58.0° | 156.5° |
| C09 | C10 | S11 | O42 | 178.3° | 23.6° |
| C09 | C10 | S11 | N12 | 63.1° | 90.0° |
| C10 | C09 | C08 | H081 | 178.8° | 180.0° |
| C09 | C10 | C43 | H431 | 178.9° | 179.8° |
| C10 | S11 | O41 | O42 | 117.7° | 122.9° |
| C10 | S11 | O41 | N12 | 115.8° | 114.1° |
| C10 | S11 | O42 | N12 | 114.0° | 114.1° |
| C10 | S11 | N12 | C13 | 70.1° | 65.0° |
| C10 | S11 | N12 | H121 | 51.4° | 115.0° |
| S11 | C10 | C09 | H091 | 0.8° | 0.0° |
| S11 | C10 | C43 | H431 | 1.2° | 0.1° |
| C37 | C36 | C35 | S39 | 0.1° | 0.2° |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 179.7° | 180.0° |
| C36 | C37 | C38 | H381 | 179.7° | 179.9° |
| S39 | C35 | C36 | C34 | 179.8° | 179.7° |
| S39 | C35 | C34 | N29 | 66.7° | 90.3° |
| S39 | C35 | C34 | H341 | 172.0° | 149.7° |
| S39 | C35 | C34 | H342 | 54.5° | 29.7° |
| S39 | C35 | C36 | H361 | 179.9° | 179.7° |
| C35 | S39 | C38 | H381 | 179.6° | 179.9° |
| O41 | S11 | O42 | N12 | 127.4° | 122.9° |
| O41 | S11 | N12 | C13 | 171.8° | 48.6° |
| O41 | S11 | N12 | H121 | 66.6° | 131.4° |
| O23 | C21 | C20 | C19 | 36.2° | 180.0° |
| O23 | C21 | C20 | H201 | 84.8° | 60.0° |
| O23 | C21 | C20 | H202 | 157.2° | 60.0° |
| C21 | C20 | C19 | H201 | 121.0° | 120.0° |
| C21 | C20 | C19 | H202 | 121.0° | 120.0° |
| C21 | C20 | C19 | C18 | 173.9° | 180.0° |
| C21 | C20 | H201 | H202 | 116.9° | 120.0° |
| C21 | C20 | C19 | H191 | 65.4° | 60.0° |
| C21 | C20 | C19 | H192 | 53.2° | 60.0° |
| C20 | C21 | O23 | H1 | 179.9° | 180.0° |
| O42 | S11 | N12 | C13 | 45.4° | 178.6° |
| O42 | S11 | N12 | H121 | 167.0° | 1.5° |
| S11 | N12 | C13 | H121 | 121.6° | 180.0° |
| S11 | N12 | C13 | C28 | 86.1° | 99.1° |
| S11 | N12 | C13 | C14 | 142.5° | 140.9° |
| S11 | N12 | C13 | H131 | 27.9° | 20.9° |
| C36 | C35 | C34 | N29 | 113.1° | 90.0° |
| C36 | C35 | C34 | H341 | 8.2° | 30.0° |
| C36 | C35 | C34 | H342 | 125.7° | 150.0° |
| C35 | C36 | C37 | H371 | 179.9° | 180.0° |
| C35 | C34 | N29 | C30 | 78.2° | 90.0° |
| C35 | C34 | N29 | C28 | 100.7° | 90.0° |
| C35 | C34 | N29 | H341 | 121.2° | 120.0° |
| C35 | C34 | N29 | H342 | 121.3° | 120.0° |
| C35 | C34 | H341 | H342 | 116.1° | 120.0° |
| C34 | C35 | C36 | H361 | 0.3° | 0.0° |
| C20 | C19 | C18 | H191 | 120.7° | 120.0° |
| C20 | C19 | C18 | H192 | 120.7° | 120.0° |
| C20 | C19 | C18 | C17 | 176.3° | 180.0° |
| C19 | C20 | H201 | H202 | 116.9° | 120.0° |
| C20 | C19 | C18 | H182 | 62.8° | 59.9° |
| C20 | C19 | C18 | H181 | 55.4° | 60.0° |
| C20 | C19 | H191 | H192 | 117.8° | 120.0° |
| N29 | C30 | C31 | H302 | 121.1° | 120.0° |
| N29 | C30 | C31 | H301 | 121.1° | 120.1° |
| C30 | N29 | C28 | O40 | 0.7° | 175.0° |
| C30 | N29 | C28 | C34 | 178.9° | 179.9° |
| C30 | N29 | C28 | C13 | 179.8° | 5.0° |
| N29 | C30 | C31 | O33 | 177.6° | 0.0° |
| N29 | C30 | C31 | O32 | 2.3° | 180.0° |
| N29 | C30 | H302 | H301 | 116.6° | 120.0° |
| C30 | N29 | C34 | H341 | 160.6° | 30.0° |
| C30 | N29 | C34 | H342 | 43.1° | 150.0° |
| C31 | C30 | N29 | C28 | 86.4° | 94.7° |
| C31 | C30 | N29 | C34 | 94.7° | 85.3° |
| C30 | C31 | O33 | O32 | 179.9° | 180.0° |
| C31 | C30 | H302 | H301 | 116.6° | 120.0° |
| C30 | C31 | O32 | H2 | 179.9° | 180.0° |
| N12 | C13 | C28 | O40 | 36.2° | 25.3° |
| N12 | C13 | C28 | N29 | 144.3° | 154.8° |
| N12 | C13 | C28 | C14 | 131.2° | 120.0° |
| N12 | C13 | C28 | H131 | 114.6° | 120.0° |
| N12 | C13 | C14 | H131 | 114.8° | 120.0° |
| N12 | C13 | C14 | C15 | 113.0° | 47.8° |
| N12 | C13 | C14 | C27 | 66.4° | 132.2° |
| O40 | C28 | N29 | C13 | 179.5° | 179.9° |
| O40 | C28 | N29 | C34 | 179.6° | 4.9° |
| O40 | C28 | C13 | C14 | 95.0° | 94.7° |
| O40 | C28 | C13 | H131 | 150.8° | 145.3° |
| N29 | C28 | C13 | C14 | 84.5° | 85.2° |
| N29 | C28 | C13 | H131 | 29.7° | 34.8° |
| C28 | N29 | C30 | H302 | 152.6° | 145.3° |
| C28 | N29 | C30 | H301 | 34.7° | 25.4° |
| C28 | N29 | C34 | H341 | 20.5° | 150.0° |
| C28 | N29 | C34 | H342 | 138.0° | 30.0° |
| C34 | N29 | C28 | C13 | 1.0° | 175.0° |
| C34 | N29 | C30 | H302 | 26.4° | 34.7° |
| C34 | N29 | C30 | H301 | 144.2° | 154.7° |
| N29 | C34 | H341 | H342 | 116.1° | 120.0° |
| C28 | C13 | C14 | H131 | 113.8° | 120.0° |
| C28 | C13 | C14 | C15 | 115.7° | 72.2° |
| C28 | C13 | C14 | C27 | 64.9° | 107.8° |
| C28 | C13 | N12 | H121 | 35.5° | 80.9° |
| C19 | C18 | C17 | H182 | 120.9° | 120.1° |
| C19 | C18 | C17 | H181 | 120.9° | 120.0° |
| C19 | C18 | C17 | O16 | 82.0° | 175.0° |
| C19 | C18 | C17 | H171 | 38.7° | 64.9° |
| C19 | C18 | C17 | H172 | 157.2° | 55.0° |
| C18 | C19 | C20 | H201 | 52.9° | 60.0° |
| C18 | C19 | C20 | H202 | 65.1° | 60.0° |
| C19 | C18 | H182 | H181 | 117.2° | 120.0° |
| C18 | C19 | H191 | H192 | 117.8° | 120.0° |
| O33 | C31 | C30 | H302 | 61.3° | 120.0° |
| O33 | C31 | C30 | H301 | 56.5° | 120.0° |
| O33 | C31 | O32 | H2 | 0.0° | 0.0° |
| C13 | C14 | C15 | O16 | 0.7° | 0.2° |
| C13 | C14 | C15 | C27 | 179.4° | 180.0° |
| C13 | C14 | C15 | C24 | 179.5° | 180.0° |
| C13 | C14 | C27 | C26 | 179.5° | 180.0° |
| C14 | C13 | N12 | H121 | 95.9° | 39.2° |
| C13 | C14 | C27 | H271 | 0.5° | 0.0° |
| O32 | C31 | C30 | H302 | 118.8° | 60.0° |
| O32 | C31 | C30 | H301 | 123.4° | 59.9° |
| C18 | C17 | O16 | H171 | 120.7° | 120.0° |
| C18 | C17 | O16 | H172 | 120.8° | 120.0° |
| C18 | C17 | O16 | C15 | 178.7° | 175.0° |
| C18 | C17 | H171 | H172 | 117.7° | 120.0° |
| C17 | C18 | H182 | H181 | 117.2° | 120.0° |
| C17 | C18 | C19 | H191 | 55.6° | 60.0° |
| C17 | C18 | C19 | H192 | 63.0° | 60.0° |
| C17 | O16 | C15 | C14 | 158.6° | 174.4° |
| C17 | O16 | C15 | C24 | 21.7° | 5.3° |
| O16 | C17 | H171 | H172 | 117.7° | 120.0° |
| O16 | C17 | C18 | H182 | 157.0° | 55.0° |
| O16 | C17 | C18 | H181 | 38.9° | 64.9° |
| O16 | C15 | C14 | C24 | 179.8° | 179.8° |
| O16 | C15 | C14 | C27 | 179.8° | 179.8° |
| O16 | C15 | C24 | C25 | 179.6° | 179.8° |
| C15 | O16 | C17 | H171 | 60.6° | 55.0° |
| C15 | O16 | C17 | H172 | 57.9° | 64.9° |
| O16 | C15 | C24 | H241 | 0.4° | 0.2° |
| C15 | C14 | C27 | C26 | 0.1° | 0.0° |
| C14 | C15 | C24 | C25 | 0.1° | 0.0° |
| C15 | C14 | C13 | H131 | 1.9° | 167.8° |
| C14 | C15 | C24 | H241 | 179.8° | 180.0° |
| C15 | C14 | C27 | H271 | 179.9° | 180.0° |
| C27 | C14 | C15 | C24 | 0.1° | 0.0° |
| C14 | C27 | C26 | H271 | 180.0° | 180.0° |
| C14 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C14 | C13 | H131 | 178.7° | 12.2° |
| C14 | C27 | C26 | H261 | 179.8° | 180.0° |
| C15 | C24 | C25 | H241 | 180.0° | 180.0° |
| C15 | C24 | C25 | C26 | 0.4° | 0.0° |
| C15 | C24 | C25 | H251 | 179.6° | 180.0° |
| C27 | C26 | C25 | C24 | 0.4° | 0.0° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | H251 | 179.6° | 180.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | H261 | 179.6° | 180.0° |
| C26 | C25 | C24 | H241 | 179.6° | 180.0° |
| C25 | C26 | C27 | H271 | 179.8° | 180.0° |
| H121 | N12 | C13 | H131 | 149.5° | 159.2° |
| H171 | C17 | C18 | H182 | 82.2° | 175.0° |
| H171 | C17 | C18 | H181 | 159.6° | 55.1° |
| H172 | C17 | C18 | H182 | 36.3° | 65.0° |
| H172 | C17 | C18 | H181 | 81.9° | 175.1° |
| H201 | C20 | C19 | H191 | 173.6° | 179.9° |
| H201 | C20 | C19 | H192 | 67.8° | 60.0° |
| H202 | C20 | C19 | H191 | 55.6° | 60.0° |
| H202 | C20 | C19 | H192 | 174.2° | 180.0° |
| H241 | C24 | C25 | H251 | 0.4° | 0.0° |
| H261 | C26 | C25 | H251 | 0.4° | 0.0° |
| H261 | C26 | C27 | H271 | 0.2° | 0.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H081 | C08 | C09 | H091 | 1.2° | 0.0° |
| H182 | C18 | C19 | H191 | 176.5° | 60.0° |
| H182 | C18 | C19 | H192 | 58.0° | 179.9° |
| H181 | C18 | C19 | H191 | 65.3° | 180.0° |
| H181 | C18 | C19 | H192 | 176.1° | 60.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.0° |
| H371 | C37 | C38 | H381 | 0.3° | 0.1° |
