JAJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C02 | C07 | sing | 1.41Å | 1.49Å | |
| C02 | N03 | sing | 1.34Å | 1.45Å | |
| C07 | C06 | doub | 1.36Å | 1.47Å | |
| N03 | C04 | sing | 1.38Å | 1.52Å | |
| C06 | C05 | sing | 1.46Å | 1.53Å | |
| C04 | C05 | doub | 1.41Å | 1.41Å | Aromatic |
| C04 | C42 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.37Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.33Å | 1.40Å | Aromatic |
| C37 | S38 | sing | 1.76Å | 1.69Å | Aromatic |
| C41 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | S10 | sing | 1.76Å | 1.81Å | |
| C36 | C35 | sing | 1.38Å | 1.43Å | Aromatic |
| S38 | C34 | sing | 1.76Å | 1.69Å | Aromatic |
| O40 | S10 | doub | 1.42Å | 1.46Å | |
| O11 | S10 | doub | 1.42Å | 1.46Å | |
| S10 | N12 | sing | 1.66Å | 1.70Å | |
| C35 | C34 | doub | 1.33Å | 1.40Å | Aromatic |
| O22 | C20 | doub | 1.21Å | 1.26Å | |
| C34 | C33 | sing | 1.51Å | 1.53Å | |
| O21 | C20 | sing | 1.34Å | 1.26Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C29 | N28 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| O39 | C27 | doub | 1.21Å | 1.18Å | |
| N12 | C13 | sing | 1.46Å | 1.44Å | |
| N28 | C27 | sing | 1.35Å | 1.46Å | |
| N28 | C33 | sing | 1.47Å | 1.45Å | |
| C27 | C13 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| O32 | C30 | doub | 1.21Å | 1.26Å | |
| C30 | O31 | sing | 1.34Å | 1.26Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| O16 | C17 | sing | 1.43Å | 1.40Å | |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | 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 | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| O21 | H1 | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| O31 | H2 | sing | 0.97Å | 0.95Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C07 | 120.8° | 119.2° |
| O01 | C02 | N03 | 118.8° | 119.2° |
| C07 | C02 | N03 | 120.4° | 121.7° |
| C02 | C07 | C06 | 119.6° | 120.2° |
| C02 | C07 | H071 | 120.2° | 119.9° |
| C02 | N03 | C04 | 119.9° | 121.0° |
| C02 | N03 | H031 | 120.0° | 119.6° |
| C07 | C06 | C05 | 119.5° | 118.6° |
| C07 | C06 | H061 | 120.2° | 120.7° |
| C06 | C07 | H071 | 120.2° | 119.9° |
| N03 | C04 | C05 | 120.3° | 119.6° |
| N03 | C04 | C42 | 119.0° | 121.0° |
| C04 | N03 | H031 | 120.0° | 119.5° |
| C06 | C05 | C04 | 120.2° | 119.0° |
| C06 | C05 | C08 | 120.2° | 121.2° |
| C05 | C06 | H061 | 120.2° | 120.7° |
| C05 | C04 | C42 | 120.8° | 119.4° |
| C04 | C05 | C08 | 119.5° | 119.8° |
| C04 | C42 | C41 | 119.7° | 119.8° |
| C04 | C42 | H421 | 120.1° | 120.1° |
| C05 | C08 | C09 | 119.5° | 119.7° |
| C05 | C08 | H081 | 120.3° | 120.2° |
| C42 | C41 | C09 | 119.4° | 120.7° |
| C42 | C41 | H411 | 120.2° | 119.7° |
| C41 | C42 | H421 | 120.1° | 120.1° |
| C08 | C09 | C41 | 121.1° | 120.6° |
| C08 | C09 | S10 | 119.7° | 119.7° |
| C09 | C08 | H081 | 120.2° | 120.1° |
| C36 | C37 | S38 | 105.9° | 109.6° |
| C37 | C36 | C35 | 114.9° | 114.9° |
| C37 | C36 | H361 | 122.6° | 122.5° |
| C36 | C37 | H371 | 127.0° | 125.2° |
| C37 | S38 | C34 | 99.3° | 90.9° |
| S38 | C37 | H371 | 127.0° | 125.2° |
| C41 | C09 | S10 | 119.2° | 119.7° |
| C09 | C41 | H411 | 120.3° | 119.7° |
| C09 | S10 | O40 | 112.0° | 106.4° |
| C09 | S10 | O11 | 110.6° | 106.4° |
| C09 | S10 | N12 | 107.1° | 107.2° |
| C36 | C35 | C34 | 113.2° | 114.9° |
| C36 | C35 | H351 | 123.4° | 122.5° |
| C35 | C36 | H361 | 122.6° | 122.6° |
| S38 | C34 | C35 | 106.7° | 109.6° |
| S38 | C34 | C33 | 126.5° | 125.2° |
| O40 | S10 | O11 | 104.2° | 123.2° |
| O40 | S10 | N12 | 112.2° | 106.4° |
| O11 | S10 | N12 | 110.8° | 106.4° |
| S10 | N12 | C13 | 117.5° | 120.0° |
| S10 | N12 | H121 | 107.4° | 120.0° |
| C35 | C34 | C33 | 126.8° | 125.2° |
| C34 | C35 | H351 | 123.4° | 122.6° |
| O22 | C20 | O21 | 120.3° | 120.0° |
| O22 | C20 | C19 | 120.8° | 120.0° |
| C34 | C33 | N28 | 111.8° | 109.5° |
| C34 | C33 | H331 | 108.9° | 109.5° |
| C34 | C33 | H332 | 108.9° | 109.5° |
| O21 | C20 | C19 | 118.9° | 120.0° |
| C20 | O21 | H1 | 109.5° | 117.0° |
| C20 | C19 | C18 | 110.1° | 109.5° |
| C20 | C19 | H192 | 109.3° | 109.4° |
| C20 | C19 | H191 | 109.3° | 109.5° |
| N28 | C29 | C30 | 111.0° | 109.5° |
| C29 | N28 | C27 | 119.5° | 120.0° |
| C29 | N28 | C33 | 119.2° | 120.0° |
| N28 | C29 | H291 | 109.1° | 109.5° |
| N28 | C29 | H292 | 109.1° | 109.5° |
| C29 | C30 | O32 | 119.5° | 120.0° |
| C29 | C30 | O31 | 120.2° | 120.0° |
| C30 | C29 | H291 | 109.1° | 109.5° |
| C30 | C29 | H292 | 109.1° | 109.5° |
| O39 | C27 | N28 | 119.5° | 120.0° |
| O39 | C27 | C13 | 119.3° | 120.0° |
| N12 | C13 | C27 | 109.1° | 109.5° |
| N12 | C13 | C14 | 107.5° | 109.5° |
| C13 | N12 | H121 | 107.4° | 120.0° |
| N12 | C13 | H131 | 110.5° | 109.5° |
| C27 | N28 | C33 | 121.4° | 120.0° |
| N28 | C27 | C13 | 121.1° | 120.0° |
| N28 | C33 | H331 | 108.9° | 109.4° |
| N28 | C33 | H332 | 108.9° | 109.5° |
| C27 | C13 | C14 | 111.2° | 109.5° |
| C27 | C13 | H131 | 109.2° | 109.5° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C13 | C14 | C26 | 120.0° | 120.1° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C19 | C18 | C17 | 113.3° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.4° |
| C19 | C18 | H181 | 108.5° | 109.5° |
| C18 | C19 | H192 | 109.3° | 109.5° |
| C18 | C19 | H191 | 109.3° | 109.4° |
| O32 | C30 | O31 | 120.3° | 120.0° |
| C30 | O31 | H2 | 109.5° | 117.0° |
| C18 | C17 | O16 | 108.0° | 109.4° |
| C18 | C17 | H172 | 109.8° | 109.5° |
| C18 | C17 | H171 | 109.8° | 109.5° |
| C17 | C18 | H182 | 108.5° | 109.5° |
| C17 | C18 | H181 | 108.5° | 109.5° |
| C17 | O16 | C15 | 116.6° | 117.0° |
| O16 | C17 | H172 | 109.9° | 109.5° |
| O16 | C17 | H171 | 109.8° | 109.5° |
| O16 | C15 | C14 | 118.6° | 120.1° |
| O16 | C15 | C23 | 121.8° | 120.1° |
| C15 | C14 | C26 | 120.5° | 119.9° |
| C14 | C15 | C23 | 119.6° | 119.9° |
| C14 | C26 | C25 | 119.8° | 120.1° |
| C14 | C26 | H261 | 120.1° | 120.0° |
| C15 | C23 | C24 | 120.0° | 119.9° |
| C15 | C23 | H231 | 120.0° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.1° |
| C25 | C26 | H261 | 120.1° | 119.9° |
| C26 | C25 | H251 | 120.1° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.1° |
| C23 | C24 | H241 | 119.9° | 120.0° |
| C24 | C23 | H231 | 120.0° | 120.1° |
| C25 | C24 | H241 | 119.8° | 119.9° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| H172 | C17 | H171 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C07 | N03 | 180.0° | 179.8° |
| O01 | C02 | C07 | C06 | 179.8° | 179.7° |
| O01 | C02 | N03 | C04 | 180.0° | 180.0° |
| O01 | C02 | N03 | H031 | 0.0° | 0.0° |
| O01 | C02 | C07 | H071 | 0.3° | 0.0° |
| C02 | C07 | C06 | H071 | 180.0° | 179.7° |
| C07 | C02 | N03 | C04 | 0.0° | 0.3° |
| C02 | C07 | C06 | C05 | 0.2° | 0.5° |
| C07 | C02 | N03 | H031 | 180.0° | 179.7° |
| C02 | C07 | C06 | H061 | 179.8° | 179.7° |
| N03 | C02 | C07 | C06 | 0.2° | 0.5° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 0.2° | 0.0° |
| C02 | N03 | C04 | C42 | 179.8° | 180.0° |
| N03 | C02 | C07 | H071 | 179.8° | 179.7° |
| C07 | C06 | C05 | H061 | 180.0° | 179.7° |
| C07 | C06 | C05 | C04 | 0.1° | 0.3° |
| C07 | C06 | C05 | C08 | 179.5° | 179.8° |
| N03 | C04 | C05 | C06 | 0.3° | 0.0° |
| N03 | C04 | C05 | C42 | 180.0° | 180.0° |
| N03 | C04 | C05 | C08 | 179.7° | 179.9° |
| N03 | C04 | C42 | C41 | 179.9° | 180.0° |
| N03 | C04 | C42 | H421 | 0.1° | 0.0° |
| C06 | C05 | C04 | C08 | 179.4° | 179.9° |
| C06 | C05 | C04 | C42 | 179.7° | 180.0° |
| C06 | C05 | C08 | C09 | 179.9° | 180.0° |
| C05 | C06 | C07 | H071 | 179.8° | 179.7° |
| C06 | C05 | C08 | H081 | 0.1° | 0.1° |
| C05 | C04 | C42 | C41 | 0.1° | 0.0° |
| C04 | C05 | C08 | C09 | 0.7° | 0.1° |
| C05 | C04 | N03 | H031 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C04 | C05 | C08 | H081 | 179.3° | 180.0° |
| C05 | C04 | C42 | H421 | 179.9° | 180.0° |
| C42 | C04 | C05 | C08 | 0.4° | 0.1° |
| C04 | C42 | C41 | H421 | 180.0° | 180.0° |
| C04 | C42 | C41 | C09 | 0.2° | 0.0° |
| C42 | C04 | N03 | H031 | 0.2° | 0.0° |
| C04 | C42 | C41 | H411 | 179.8° | 180.0° |
| C05 | C08 | C09 | H081 | 180.0° | 179.9° |
| C05 | C08 | C09 | C41 | 0.6° | 0.1° |
| C05 | C08 | C09 | S10 | 179.5° | 180.0° |
| C08 | C05 | C06 | H061 | 0.5° | 0.1° |
| C42 | C41 | C09 | C08 | 0.2° | 0.0° |
| C42 | C41 | C09 | H411 | 180.0° | 180.0° |
| C42 | C41 | C09 | S10 | 179.0° | 180.0° |
| C08 | C09 | C41 | S10 | 178.9° | 179.9° |
| C08 | C09 | S10 | O40 | 124.6° | 156.5° |
| C08 | C09 | S10 | O11 | 8.8° | 23.6° |
| C08 | C09 | S10 | N12 | 112.0° | 90.0° |
| C08 | C09 | C41 | H411 | 179.9° | 179.9° |
| C36 | C37 | S38 | H371 | 180.0° | 179.8° |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C36 | C37 | S38 | C34 | 0.3° | 0.3° |
| C37 | C36 | C35 | C34 | 0.3° | 0.0° |
| C37 | C36 | C35 | H351 | 179.7° | 180.0° |
| S38 | C37 | C36 | C35 | 0.0° | 0.2° |
| C37 | S38 | C34 | C35 | 0.4° | 0.3° |
| C37 | S38 | C34 | C33 | 179.4° | 180.0° |
| S38 | C37 | C36 | H361 | 180.0° | 179.8° |
| C41 | C09 | S10 | O40 | 56.6° | 23.6° |
| C41 | C09 | S10 | O11 | 172.3° | 156.5° |
| C41 | C09 | S10 | N12 | 66.9° | 90.0° |
| C41 | C09 | C08 | H081 | 179.4° | 180.0° |
| C09 | C41 | C42 | H421 | 179.8° | 180.0° |
| C09 | S10 | O40 | O11 | 119.5° | 122.9° |
| C09 | S10 | O40 | N12 | 120.5° | 114.1° |
| C09 | S10 | O11 | N12 | 118.5° | 114.1° |
| C09 | S10 | N12 | C13 | 69.2° | 65.0° |
| C09 | S10 | N12 | H121 | 51.9° | 114.8° |
| S10 | C09 | C08 | H081 | 0.6° | 0.1° |
| S10 | C09 | C41 | H411 | 1.0° | 0.0° |
| C36 | C35 | C34 | S38 | 0.5° | 0.3° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 179.5° | 179.9° |
| C35 | C36 | C37 | H371 | 180.0° | 179.9° |
| S38 | C34 | C35 | C33 | 179.0° | 179.7° |
| S38 | C34 | C33 | N28 | 71.7° | 90.3° |
| S38 | C34 | C33 | H331 | 167.9° | 149.7° |
| S38 | C34 | C33 | H332 | 48.6° | 29.7° |
| S38 | C34 | C35 | H351 | 179.5° | 179.8° |
| C34 | S38 | C37 | H371 | 179.8° | 179.9° |
| O40 | S10 | O11 | N12 | 120.9° | 123.0° |
| O40 | S10 | N12 | C13 | 167.5° | 48.5° |
| O40 | S10 | N12 | H121 | 71.3° | 131.7° |
| O11 | S10 | N12 | C13 | 51.4° | 178.5° |
| O11 | S10 | N12 | H121 | 172.6° | 1.3° |
| S10 | N12 | C13 | H121 | 121.1° | 179.8° |
| S10 | N12 | C13 | C27 | 88.5° | 99.0° |
| S10 | N12 | C13 | C14 | 150.9° | 141.0° |
| S10 | N12 | C13 | H131 | 31.6° | 21.0° |
| C35 | C34 | C33 | N28 | 109.5° | 90.0° |
| C35 | C34 | C33 | H331 | 10.9° | 29.9° |
| C35 | C34 | C33 | H332 | 130.2° | 150.0° |
| C34 | C35 | C36 | H361 | 179.6° | 179.9° |
| O22 | C20 | O21 | C19 | 179.2° | 180.0° |
| O22 | C20 | C19 | C18 | 162.0° | 0.0° |
| O22 | C20 | C19 | H192 | 78.0° | 120.0° |
| O22 | C20 | C19 | H191 | 41.9° | 120.0° |
| O22 | C20 | O21 | H1 | 0.0° | 0.1° |
| C34 | C33 | N28 | C29 | 81.5° | 90.0° |
| C34 | C33 | N28 | C27 | 98.1° | 90.0° |
| C34 | C33 | N28 | H331 | 120.4° | 120.0° |
| C34 | C33 | N28 | H332 | 120.3° | 120.0° |
| C34 | C33 | H331 | H332 | 118.9° | 120.1° |
| C33 | C34 | C35 | H351 | 0.5° | 0.1° |
| O21 | C20 | C19 | C18 | 17.2° | 180.0° |
| O21 | C20 | C19 | H192 | 102.8° | 60.0° |
| O21 | C20 | C19 | H191 | 137.3° | 60.0° |
| C20 | C19 | C18 | H192 | 120.1° | 120.0° |
| C20 | C19 | C18 | H191 | 120.1° | 120.0° |
| C20 | C19 | C18 | C17 | 177.4° | 180.0° |
| C20 | C19 | C18 | H182 | 56.8° | 60.0° |
| C20 | C19 | C18 | H181 | 62.0° | 60.0° |
| C20 | C19 | H192 | H191 | 119.7° | 120.0° |
| C19 | C20 | O21 | H1 | 179.2° | 180.0° |
| N28 | C29 | C30 | H291 | 120.2° | 120.0° |
| N28 | C29 | C30 | H292 | 120.2° | 120.0° |
| C29 | N28 | C27 | O39 | 0.2° | 175.0° |
| C29 | N28 | C27 | C33 | 179.6° | 180.0° |
| C29 | N28 | C27 | C13 | 179.5° | 5.0° |
| N28 | C29 | C30 | O32 | 165.1° | 0.0° |
| N28 | C29 | C30 | O31 | 14.4° | 180.0° |
| N28 | C29 | H291 | H292 | 119.3° | 120.0° |
| C29 | N28 | C33 | H331 | 158.2° | 30.0° |
| C29 | N28 | C33 | H332 | 38.9° | 150.0° |
| C30 | C29 | N28 | C27 | 80.9° | 94.6° |
| C30 | C29 | N28 | C33 | 99.5° | 85.4° |
| C29 | C30 | O32 | O31 | 179.5° | 179.9° |
| C30 | C29 | H291 | H292 | 119.3° | 120.0° |
| C29 | C30 | O31 | H2 | 179.5° | 180.0° |
| O39 | C27 | C13 | N12 | 24.8° | 25.4° |
| O39 | C27 | N28 | C13 | 179.7° | 180.0° |
| O39 | C27 | N28 | C33 | 179.8° | 5.0° |
| O39 | C27 | C13 | C14 | 93.6° | 94.6° |
| O39 | C27 | C13 | H131 | 145.6° | 145.4° |
| N12 | C13 | C27 | N28 | 154.9° | 154.6° |
| N12 | C13 | C27 | C14 | 118.4° | 120.0° |
| N12 | C13 | C27 | H131 | 120.9° | 120.0° |
| N12 | C13 | C14 | H131 | 120.0° | 120.0° |
| N12 | C13 | C14 | C15 | 112.5° | 47.9° |
| N12 | C13 | C14 | C26 | 66.5° | 132.2° |
| N28 | C27 | C13 | C14 | 86.7° | 85.3° |
| N28 | C27 | C13 | H131 | 34.0° | 34.7° |
| C27 | N28 | C29 | H291 | 158.9° | 145.4° |
| C27 | N28 | C29 | H292 | 39.3° | 25.4° |
| C27 | N28 | C33 | H331 | 22.2° | 150.0° |
| C27 | N28 | C33 | H332 | 141.5° | 30.0° |
| C33 | N28 | C27 | C13 | 0.1° | 175.0° |
| C33 | N28 | C29 | H291 | 20.7° | 34.6° |
| C33 | N28 | C29 | H292 | 140.3° | 154.6° |
| N28 | C33 | H331 | H332 | 118.9° | 120.0° |
| C27 | C13 | C14 | H131 | 120.7° | 120.0° |
| C27 | C13 | C14 | C15 | 128.2° | 72.2° |
| C27 | C13 | C14 | C26 | 52.8° | 107.8° |
| C27 | C13 | N12 | H121 | 32.7° | 81.2° |
| C13 | C14 | C15 | O16 | 0.5° | 0.3° |
| C13 | C14 | C15 | C26 | 179.0° | 180.0° |
| C13 | C14 | C15 | C23 | 179.5° | 179.9° |
| C13 | C14 | C26 | C25 | 179.4° | 180.0° |
| C14 | C13 | N12 | H121 | 88.0° | 38.8° |
| C13 | C14 | C26 | H261 | 0.7° | 0.0° |
| C19 | C18 | C17 | H182 | 120.5° | 120.0° |
| C19 | C18 | C17 | H181 | 120.6° | 120.0° |
| C19 | C18 | C17 | O16 | 51.6° | 175.0° |
| C19 | C18 | C17 | H172 | 68.2° | 65.0° |
| C19 | C18 | C17 | H171 | 171.3° | 55.0° |
| C19 | C18 | H182 | H181 | 118.3° | 120.0° |
| C18 | C19 | H192 | H191 | 119.7° | 120.0° |
| O32 | C30 | C29 | H291 | 74.7° | 120.0° |
| O32 | C30 | C29 | H292 | 44.9° | 120.0° |
| O32 | C30 | O31 | H2 | 0.0° | 0.1° |
| O31 | C30 | C29 | H291 | 105.8° | 60.0° |
| O31 | C30 | C29 | H292 | 134.7° | 59.9° |
| C18 | C17 | O16 | H172 | 119.8° | 120.0° |
| C18 | C17 | O16 | H171 | 119.8° | 120.0° |
| C18 | C17 | O16 | C15 | 177.6° | 175.1° |
| C18 | C17 | H172 | H171 | 120.6° | 120.0° |
| C17 | C18 | H182 | H181 | 118.3° | 120.0° |
| C17 | C18 | C19 | H192 | 62.5° | 60.0° |
| C17 | C18 | C19 | H191 | 57.3° | 60.0° |
| C17 | O16 | C15 | C14 | 167.4° | 174.4° |
| C17 | O16 | C15 | C23 | 12.6° | 5.2° |
| O16 | C17 | H172 | H171 | 120.7° | 120.0° |
| O16 | C17 | C18 | H182 | 172.1° | 55.1° |
| O16 | C17 | C18 | H181 | 69.0° | 65.0° |
| O16 | C15 | C14 | C23 | 180.0° | 179.6° |
| O16 | C15 | C14 | C26 | 179.5° | 179.7° |
| O16 | C15 | C23 | C24 | 179.8° | 179.7° |
| C15 | O16 | C17 | H172 | 57.7° | 55.1° |
| C15 | O16 | C17 | H171 | 62.7° | 64.9° |
| O16 | C15 | C23 | H231 | 0.2° | 0.4° |
| C15 | C14 | C26 | C25 | 0.4° | 0.1° |
| C14 | C15 | C23 | C24 | 0.2° | 0.1° |
| C15 | C14 | C13 | H131 | 7.5° | 167.8° |
| C15 | C14 | C26 | H261 | 179.6° | 180.0° |
| C14 | C15 | C23 | H231 | 179.8° | 180.0° |
| C26 | C14 | C15 | C23 | 0.5° | 0.1° |
| C14 | C26 | C25 | H261 | 180.0° | 180.0° |
| C14 | C26 | C25 | C24 | 0.0° | 0.0° |
| C26 | C14 | C13 | H131 | 173.5° | 12.2° |
| C14 | C26 | C25 | H251 | 180.0° | 180.0° |
| C15 | C23 | C24 | H231 | 180.0° | 179.9° |
| C15 | C23 | C24 | C25 | 0.2° | 0.0° |
| C15 | C23 | C24 | H241 | 179.8° | 179.9° |
| C26 | C25 | C24 | C23 | 0.3° | 0.0° |
| C26 | C25 | C24 | H251 | 180.0° | 180.0° |
| C26 | C25 | C24 | H241 | 179.7° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | H251 | 179.7° | 180.0° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C25 | C24 | C23 | H231 | 179.8° | 179.9° |
| H121 | N12 | C13 | H131 | 152.8° | 158.8° |
| H172 | C17 | C18 | H182 | 52.3° | 175.0° |
| H172 | C17 | C18 | H181 | 171.2° | 55.0° |
| H171 | C17 | C18 | H182 | 68.1° | 65.0° |
| H171 | C17 | C18 | H181 | 50.8° | 175.0° |
| H241 | C24 | C23 | H231 | 0.2° | 0.0° |
| H241 | C24 | C25 | H251 | 0.3° | 0.0° |
| H261 | C26 | C25 | H251 | 0.1° | 0.1° |
| H061 | C06 | C07 | H071 | 0.2° | 0.0° |
| H182 | C18 | C19 | H192 | 176.9° | 60.0° |
| H182 | C18 | C19 | H191 | 63.3° | 180.0° |
| H181 | C18 | C19 | H192 | 58.1° | 180.0° |
| H181 | C18 | C19 | H191 | 177.8° | 60.0° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.0° |
| H411 | C41 | C42 | H421 | 0.2° | 0.0° |
