A1EUJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S02 | C01 | sing | 1.81Å | 1.80Å | |
| C04 | N03 | sing | 1.40Å | 1.45Å | |
| C05 | C04 | doub | 1.41Å | 1.42Å | Aromatic |
| N06 | C05 | sing | 1.34Å | 1.34Å | Aromatic |
| C07 | N06 | doub | 1.31Å | 1.30Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| N09 | C08 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | N09 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.40Å | 1.42Å | |
| C15 | N14 | sing | 1.39Å | 1.43Å | |
| N16 | C15 | doub | 1.33Å | 1.30Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.31Å | Aromatic |
| C19 | N18 | sing | 1.40Å | 1.44Å | |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.47Å | 1.43Å | |
| C25 | N23 | sing | 1.37Å | 1.32Å | Aromatic |
| C26 | C25 | doub | 1.34Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| N28 | C27 | sing | 1.47Å | 1.44Å | |
| C29 | N28 | sing | 1.47Å | 1.43Å | |
| C30 | N28 | sing | 1.47Å | 1.44Å | |
| N23 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C31 | C22 | sing | 1.41Å | 1.35Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| N18 | C17 | sing | 1.39Å | 1.43Å | |
| N33 | C17 | doub | 1.33Å | 1.30Å | Aromatic |
| C34 | N33 | sing | 1.33Å | 1.30Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.37Å | Aromatic |
| CL36 | C35 | sing | 1.74Å | 1.77Å | |
| N03 | S02 | sing | 1.66Å | 1.67Å | |
| O37 | S02 | doub | 1.42Å | 1.43Å | |
| O38 | S02 | doub | 1.42Å | 1.43Å | |
| C04 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.35Å | Aromatic |
| C15 | C35 | sing | 1.40Å | 1.37Å | Aromatic |
| C19 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C31 | sing | 1.47Å | 1.39Å | Aromatic |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | S02 | N03 | 115.7° | 104.5° |
| C01 | S02 | O37 | 111.9° | 110.5° |
| C01 | S02 | O38 | 110.6° | 110.5° |
| S02 | C01 | H011 | 109.5° | 109.5° |
| S02 | C01 | H012 | 109.5° | 109.5° |
| S02 | C01 | H013 | 109.5° | 109.5° |
| N03 | C04 | C05 | 120.3° | 120.3° |
| C04 | N03 | S02 | 121.2° | 120.0° |
| N03 | C04 | C13 | 120.5° | 120.2° |
| C04 | N03 | H031 | 106.4° | 119.9° |
| C04 | C05 | N06 | 118.6° | 121.0° |
| C05 | C04 | C13 | 119.2° | 119.4° |
| C04 | C05 | C10 | 119.9° | 119.3° |
| C05 | N06 | C07 | 119.2° | 119.7° |
| N06 | C05 | C10 | 121.4° | 119.7° |
| N06 | C07 | C08 | 120.1° | 120.7° |
| N06 | C07 | H071 | 120.0° | 119.7° |
| C07 | C08 | N09 | 121.0° | 120.7° |
| C08 | C07 | H071 | 120.0° | 119.6° |
| C07 | C08 | H081 | 119.5° | 119.6° |
| C08 | N09 | C10 | 118.8° | 119.7° |
| N09 | C08 | H081 | 119.5° | 119.7° |
| N09 | C10 | C11 | 120.0° | 120.9° |
| N09 | C10 | C05 | 119.5° | 119.5° |
| C10 | C11 | C12 | 119.8° | 120.1° |
| C11 | C10 | C05 | 120.5° | 119.6° |
| C10 | C11 | H111 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.3° | 121.0° |
| C12 | C11 | H111 | 120.1° | 119.9° |
| C11 | C12 | H121 | 120.3° | 119.5° |
| C12 | C13 | N14 | 121.1° | 119.7° |
| C12 | C13 | C04 | 121.4° | 120.6° |
| C13 | C12 | H121 | 120.4° | 119.5° |
| C13 | N14 | C15 | 126.3° | 120.0° |
| N14 | C13 | C04 | 117.5° | 119.7° |
| C13 | N14 | H141 | 116.8° | 120.0° |
| N14 | C15 | N16 | 123.4° | 120.5° |
| N14 | C15 | C35 | 115.5° | 120.5° |
| C15 | N14 | H141 | 116.9° | 120.0° |
| C15 | N16 | C17 | 118.6° | 120.6° |
| N16 | C15 | C35 | 121.1° | 119.1° |
| N16 | C17 | N18 | 122.8° | 119.2° |
| N16 | C17 | N33 | 123.1° | 121.7° |
| N18 | C19 | C20 | 115.2° | 119.9° |
| C19 | N18 | C17 | 129.4° | 120.0° |
| N18 | C19 | C32 | 124.0° | 119.9° |
| C19 | N18 | H181 | 115.3° | 120.1° |
| C19 | C20 | C21 | 120.5° | 120.6° |
| C20 | C19 | C32 | 120.8° | 120.2° |
| C19 | C20 | H201 | 119.7° | 119.7° |
| C20 | C21 | C22 | 119.1° | 120.0° |
| C21 | C20 | H201 | 119.7° | 119.6° |
| C20 | C21 | H211 | 120.5° | 120.0° |
| C21 | C22 | N23 | 130.9° | 133.3° |
| C21 | C22 | C31 | 121.1° | 119.6° |
| C22 | C21 | H211 | 120.4° | 120.0° |
| C24 | N23 | C25 | 125.2° | 125.1° |
| C24 | N23 | C22 | 124.6° | 125.1° |
| N23 | C24 | H241 | 109.5° | 109.5° |
| N23 | C24 | H242 | 109.5° | 109.5° |
| N23 | C24 | H243 | 109.5° | 109.5° |
| N23 | C25 | C26 | 107.7° | 110.0° |
| C25 | N23 | C22 | 110.1° | 109.9° |
| N23 | C25 | H251 | 126.2° | 125.0° |
| C25 | C26 | C27 | 124.7° | 126.5° |
| C25 | C26 | C31 | 107.8° | 107.0° |
| C26 | C25 | H251 | 126.2° | 125.0° |
| C26 | C27 | N28 | 106.6° | 109.5° |
| C27 | C26 | C31 | 127.4° | 126.5° |
| C26 | C27 | H271 | 110.2° | 109.5° |
| C26 | C27 | H272 | 110.2° | 109.4° |
| C27 | N28 | C29 | 109.7° | 111.0° |
| C27 | N28 | C30 | 109.7° | 111.0° |
| N28 | C27 | H271 | 110.2° | 109.5° |
| N28 | C27 | H272 | 110.2° | 109.4° |
| C29 | N28 | C30 | 106.5° | 111.0° |
| N28 | C29 | H291 | 109.5° | 109.4° |
| N28 | C29 | H292 | 109.5° | 109.5° |
| N28 | C29 | H293 | 109.4° | 109.4° |
| N28 | C30 | H301 | 109.5° | 109.4° |
| N28 | C30 | H302 | 109.5° | 109.5° |
| N28 | C30 | H303 | 109.4° | 109.5° |
| N23 | C22 | C31 | 108.0° | 107.1° |
| C22 | C31 | C32 | 120.0° | 120.0° |
| C22 | C31 | C26 | 106.4° | 106.1° |
| C31 | C32 | C19 | 118.5° | 119.6° |
| C32 | C31 | C26 | 133.6° | 133.9° |
| C31 | C32 | H321 | 120.7° | 120.2° |
| N18 | C17 | N33 | 114.1° | 119.1° |
| C17 | N18 | H181 | 115.3° | 119.9° |
| C17 | N33 | C34 | 120.4° | 120.9° |
| N33 | C34 | C35 | 119.8° | 119.3° |
| N33 | C34 | H341 | 120.1° | 120.4° |
| C34 | C35 | CL36 | 121.2° | 120.8° |
| C34 | C35 | C15 | 117.0° | 118.4° |
| C35 | C34 | H341 | 120.1° | 120.3° |
| CL36 | C35 | C15 | 121.8° | 120.8° |
| N03 | S02 | O37 | 109.7° | 104.3° |
| N03 | S02 | O38 | 107.3° | 104.3° |
| S02 | N03 | H031 | 106.5° | 120.1° |
| O37 | S02 | O38 | 100.5° | 121.0° |
| C19 | C32 | H321 | 120.8° | 120.2° |
| H241 | C24 | H242 | 109.5° | 109.4° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.5° |
| H291 | C29 | H293 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.5° | 109.6° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | S02 | N03 | C04 | 151.4° | 62.2° |
| C01 | S02 | N03 | O37 | 127.8° | 116.1° |
| C01 | S02 | N03 | O38 | 124.0° | 116.1° |
| C01 | S02 | O37 | O38 | 117.4° | 131.5° |
| S02 | C01 | H011 | H012 | 120.0° | 120.0° |
| S02 | C01 | H011 | H013 | 120.0° | 120.0° |
| S02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | S02 | N03 | H031 | 87.0° | 117.9° |
| N03 | C04 | C05 | C13 | 178.5° | 179.9° |
| N03 | C04 | C05 | N06 | 1.5° | 0.0° |
| N03 | C04 | C13 | C12 | 178.8° | 180.0° |
| N03 | C04 | C13 | N14 | 2.1° | 0.4° |
| C04 | N03 | S02 | H031 | 121.6° | 179.9° |
| C04 | N03 | S02 | O37 | 80.8° | 178.3° |
| C04 | N03 | S02 | O38 | 27.4° | 53.9° |
| N03 | C04 | C05 | C10 | 178.8° | 180.0° |
| C04 | C05 | N06 | C10 | 179.6° | 180.0° |
| C04 | C05 | N06 | C07 | 179.6° | 180.0° |
| C04 | C05 | C10 | N09 | 179.9° | 180.0° |
| C04 | C05 | C10 | C11 | 0.3° | 0.0° |
| C05 | C04 | C13 | C12 | 0.3° | 0.1° |
| C05 | C04 | C13 | N14 | 179.4° | 179.7° |
| C05 | C04 | N03 | S02 | 103.6° | 62.1° |
| C05 | C04 | N03 | H031 | 18.1° | 117.8° |
| C05 | N06 | C07 | C08 | 0.6° | 0.1° |
| N06 | C05 | C10 | N09 | 0.5° | 0.0° |
| N06 | C05 | C10 | C11 | 179.9° | 180.0° |
| N06 | C05 | C04 | C13 | 180.0° | 179.9° |
| C05 | N06 | C07 | H071 | 179.4° | 180.0° |
| N06 | C07 | C08 | H071 | 180.0° | 179.9° |
| N06 | C07 | C08 | N09 | 0.1° | 0.2° |
| C07 | N06 | C05 | C10 | 0.8° | 0.0° |
| N06 | C07 | C08 | H081 | 179.8° | 180.0° |
| C07 | C08 | N09 | H081 | 180.0° | 179.8° |
| C07 | C08 | N09 | C10 | 0.1° | 0.1° |
| C08 | N09 | C10 | C11 | 179.6° | 180.0° |
| C08 | N09 | C10 | C05 | 0.1° | 0.0° |
| N09 | C08 | C07 | H071 | 179.9° | 180.0° |
| N09 | C10 | C11 | C05 | 179.6° | 180.0° |
| N09 | C10 | C11 | C12 | 179.8° | 180.0° |
| C10 | N09 | C08 | H081 | 179.9° | 179.9° |
| N09 | C10 | C11 | H111 | 0.2° | 0.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | N14 | 179.3° | 179.7° |
| C11 | C12 | C13 | C04 | 0.3° | 0.1° |
| C12 | C11 | C10 | C05 | 0.3° | 0.0° |
| C12 | C13 | N14 | C04 | 179.0° | 179.6° |
| C12 | C13 | N14 | C15 | 32.2° | 22.8° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C12 | C13 | N14 | H141 | 147.9° | 157.1° |
| C13 | N14 | C15 | H141 | 180.0° | 179.9° |
| C13 | N14 | C15 | N16 | 5.3° | 6.2° |
| C13 | N14 | C15 | C35 | 174.4° | 174.1° |
| N14 | C13 | C12 | H121 | 0.7° | 0.3° |
| N14 | C15 | N16 | C35 | 179.6° | 179.7° |
| N14 | C15 | N16 | C17 | 179.8° | 180.0° |
| N14 | C15 | C35 | C34 | 179.8° | 180.0° |
| N14 | C15 | C35 | CL36 | 0.2° | 0.0° |
| C15 | N14 | C13 | C04 | 148.8° | 156.8° |
| C15 | N16 | C17 | N18 | 179.4° | 180.0° |
| C15 | N16 | C17 | N33 | 0.5° | 0.0° |
| N16 | C15 | C35 | C34 | 0.5° | 0.3° |
| N16 | C15 | C35 | CL36 | 179.5° | 179.7° |
| N16 | C15 | N14 | H141 | 174.7° | 173.9° |
| N16 | C17 | N18 | C19 | 21.4° | 176.1° |
| N16 | C17 | N18 | N33 | 179.0° | 180.0° |
| N16 | C17 | N33 | C34 | 0.3° | 0.3° |
| C17 | N16 | C15 | C35 | 0.6° | 0.3° |
| N16 | C17 | N18 | H181 | 158.6° | 3.8° |
| N18 | C19 | C20 | C32 | 180.0° | 179.7° |
| N18 | C19 | C20 | C21 | 179.7° | 179.7° |
| N18 | C19 | C32 | C31 | 179.9° | 179.7° |
| C19 | N18 | C17 | H181 | 180.0° | 179.9° |
| C19 | N18 | C17 | N33 | 159.6° | 3.9° |
| N18 | C19 | C20 | H201 | 0.3° | 0.0° |
| N18 | C19 | C32 | H321 | 0.0° | 0.3° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C19 | C32 | C31 | 0.1° | 0.0° |
| C20 | C19 | N18 | C17 | 170.8° | 32.9° |
| C20 | C19 | N18 | H181 | 9.3° | 147.1° |
| C19 | C20 | C21 | H211 | 179.5° | 180.0° |
| C20 | C19 | C32 | H321 | 179.9° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 179.8° | 180.0° |
| C20 | C21 | C22 | C31 | 0.4° | 0.0° |
| C21 | C20 | C19 | C32 | 0.3° | 0.0° |
| C21 | C22 | N23 | C24 | 0.6° | 0.0° |
| C21 | C22 | N23 | C25 | 179.5° | 180.0° |
| C21 | C22 | N23 | C31 | 179.5° | 180.0° |
| C21 | C22 | C31 | C32 | 0.1° | 0.0° |
| C21 | C22 | C31 | C26 | 179.8° | 180.0° |
| C22 | C21 | C20 | H201 | 179.5° | 179.8° |
| C24 | N23 | C25 | C22 | 179.9° | 180.0° |
| C24 | N23 | C25 | C26 | 179.7° | 180.0° |
| C24 | N23 | C22 | C31 | 179.9° | 180.0° |
| N23 | C24 | H241 | H242 | 120.0° | 120.0° |
| N23 | C24 | H241 | H243 | 120.0° | 120.0° |
| N23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | N23 | C25 | H251 | 0.3° | 0.0° |
| N23 | C25 | C26 | H251 | 180.0° | 180.0° |
| N23 | C25 | C26 | C27 | 178.9° | 180.0° |
| C25 | N23 | C22 | C31 | 0.1° | 0.0° |
| N23 | C25 | C26 | C31 | 0.3° | 0.0° |
| C25 | N23 | C24 | H241 | 180.0° | 90.0° |
| C25 | N23 | C24 | H242 | 60.0° | 150.0° |
| C25 | N23 | C24 | H243 | 60.0° | 30.1° |
| C25 | C26 | C27 | C31 | 178.3° | 180.0° |
| C25 | C26 | C27 | N28 | 94.4° | 100.0° |
| C26 | C25 | N23 | C22 | 0.2° | 0.0° |
| C25 | C26 | C31 | C22 | 0.3° | 0.0° |
| C25 | C26 | C31 | C32 | 179.5° | 180.0° |
| C25 | C26 | C27 | H271 | 146.0° | 20.0° |
| C25 | C26 | C27 | H272 | 25.1° | 140.0° |
| C26 | C27 | N28 | H271 | 119.6° | 120.0° |
| C26 | C27 | N28 | H272 | 119.5° | 120.0° |
| C26 | C27 | N28 | C29 | 154.1° | 170.0° |
| C26 | C27 | N28 | C30 | 89.3° | 66.0° |
| C27 | C26 | C31 | C22 | 178.9° | 180.0° |
| C27 | C26 | C31 | C32 | 1.0° | 0.0° |
| C27 | C26 | C25 | H251 | 1.1° | 0.0° |
| C26 | C27 | H271 | H272 | 121.3° | 120.0° |
| C27 | N28 | C29 | C30 | 118.6° | 124.0° |
| N28 | C27 | C26 | C31 | 83.9° | 80.0° |
| N28 | C27 | H271 | H272 | 121.3° | 120.0° |
| C27 | N28 | C29 | H291 | 180.0° | 180.0° |
| C27 | N28 | C29 | H292 | 60.0° | 60.0° |
| C27 | N28 | C29 | H293 | 60.0° | 60.1° |
| C27 | N28 | C30 | H301 | 180.0° | 64.0° |
| C27 | N28 | C30 | H302 | 60.0° | 56.0° |
| C27 | N28 | C30 | H303 | 60.0° | 176.1° |
| C29 | N28 | C27 | H271 | 86.4° | 50.0° |
| C29 | N28 | C27 | H272 | 34.5° | 70.0° |
| N28 | C29 | H291 | H292 | 120.0° | 120.0° |
| N28 | C29 | H291 | H293 | 120.0° | 119.9° |
| N28 | C29 | H292 | H293 | 120.0° | 120.0° |
| C29 | N28 | C30 | H301 | 61.4° | 60.0° |
| C29 | N28 | C30 | H302 | 178.6° | 179.9° |
| C29 | N28 | C30 | H303 | 58.6° | 60.0° |
| C30 | N28 | C27 | H271 | 30.2° | 174.0° |
| C30 | N28 | C27 | H272 | 151.1° | 53.9° |
| C30 | N28 | C29 | H291 | 61.4° | 56.0° |
| C30 | N28 | C29 | H292 | 58.6° | 176.0° |
| C30 | N28 | C29 | H293 | 178.6° | 63.9° |
| N28 | C30 | H301 | H302 | 120.0° | 119.9° |
| N28 | C30 | H301 | H303 | 120.0° | 120.0° |
| N28 | C30 | H302 | H303 | 120.0° | 120.0° |
| N23 | C22 | C31 | C32 | 179.7° | 180.0° |
| N23 | C22 | C31 | C26 | 0.2° | 0.0° |
| N23 | C22 | C21 | H211 | 0.2° | 0.0° |
| C22 | N23 | C24 | H241 | 0.1° | 90.0° |
| C22 | N23 | C24 | H242 | 120.1° | 30.0° |
| C22 | N23 | C24 | H243 | 119.9° | 149.9° |
| C22 | N23 | C25 | H251 | 179.8° | 180.0° |
| C22 | C31 | C32 | C26 | 179.9° | 180.0° |
| C22 | C31 | C32 | C19 | 0.0° | 0.0° |
| C31 | C22 | C21 | H211 | 179.6° | 180.0° |
| C22 | C31 | C32 | H321 | 180.0° | 180.0° |
| C31 | C32 | C19 | H321 | 180.0° | 180.0° |
| N18 | C17 | N33 | C34 | 179.3° | 179.7° |
| C17 | N18 | C19 | C32 | 9.2° | 147.4° |
| C17 | N33 | C34 | C35 | 0.2° | 0.3° |
| N33 | C17 | N18 | H181 | 20.4° | 176.2° |
| C17 | N33 | C34 | H341 | 179.7° | 180.0° |
| N33 | C34 | C35 | H341 | 180.0° | 179.7° |
| N33 | C34 | C35 | CL36 | 179.7° | 180.0° |
| N33 | C34 | C35 | C15 | 0.3° | 0.0° |
| C34 | C35 | CL36 | C15 | 180.0° | 179.9° |
| CL36 | C35 | C34 | H341 | 0.3° | 0.4° |
| N03 | S02 | O37 | O38 | 112.7° | 116.8° |
| S02 | N03 | C04 | C13 | 78.0° | 117.8° |
| N03 | S02 | C01 | H011 | 180.0° | 55.1° |
| N03 | S02 | C01 | H012 | 60.0° | 64.9° |
| N03 | S02 | C01 | H013 | 60.0° | 175.1° |
| O37 | S02 | C01 | H011 | 53.3° | 166.7° |
| O37 | S02 | C01 | H012 | 66.7° | 46.7° |
| O37 | S02 | C01 | H013 | 173.3° | 73.3° |
| O37 | S02 | N03 | H031 | 40.8° | 1.8° |
| O38 | S02 | C01 | H011 | 57.8° | 56.6° |
| O38 | S02 | C01 | H012 | 177.8° | 176.6° |
| O38 | S02 | C01 | H013 | 62.2° | 63.4° |
| O38 | S02 | N03 | H031 | 149.1° | 126.0° |
| C13 | C04 | C05 | C10 | 0.4° | 0.1° |
| C04 | C13 | C12 | H121 | 179.7° | 180.0° |
| C13 | C04 | N03 | H031 | 160.4° | 62.3° |
| C04 | C13 | N14 | H141 | 31.2° | 23.2° |
| C05 | C10 | C11 | H111 | 179.7° | 180.0° |
| C15 | C35 | C34 | H341 | 179.6° | 179.7° |
| C35 | C15 | N14 | H141 | 5.6° | 5.8° |
| C19 | C32 | C31 | C26 | 179.9° | 180.0° |
| C32 | C19 | N18 | H181 | 170.7° | 32.6° |
| C32 | C19 | C20 | H201 | 179.7° | 179.7° |
| C31 | C26 | C25 | H251 | 179.7° | 180.0° |
| C31 | C26 | C27 | H271 | 35.7° | 160.0° |
| C31 | C26 | C27 | H272 | 156.6° | 39.9° |
| C26 | C31 | C32 | H321 | 0.1° | 0.0° |
| H201 | C20 | C21 | H211 | 0.5° | 0.3° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 0.1° | 0.2° |
| H111 | C11 | C12 | H121 | 0.2° | 0.0° |
