X38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C05 | doub | 1.21Å | 1.19Å | |
| N06 | C05 | sing | 1.35Å | 1.45Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | N03 | sing | 1.46Å | 1.46Å | |
| C04 | C08 | sing | 1.53Å | 1.53Å | |
| O42 | C13 | doub | 1.22Å | 1.19Å | |
| O12 | C10 | doub | 1.21Å | 1.26Å | |
| N03 | C13 | sing | 1.35Å | 1.38Å | |
| N03 | C02 | sing | 1.35Å | 1.39Å | |
| C13 | C14 | sing | 1.48Å | 1.56Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C15 | sing | 1.47Å | 1.57Å | |
| C14 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.44Å | Aromatic |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C10 | O11 | sing | 1.34Å | 1.27Å | |
| C41 | C40 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | N17 | sing | 1.46Å | 1.45Å | |
| C40 | C39 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.45Å | |
| C19 | O20 | sing | 1.43Å | 1.41Å | |
| C25 | N26 | sing | 1.46Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| N26 | C27 | sing | 1.35Å | 1.45Å | |
| O23 | C24 | sing | 1.43Å | 1.41Å | |
| O23 | C22 | sing | 1.43Å | 1.41Å | |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| O38 | C27 | doub | 1.21Å | 1.18Å | |
| C27 | C28 | sing | 1.48Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | S32 | sing | 1.76Å | 1.81Å | |
| N33 | S32 | sing | 1.66Å | 1.70Å | |
| S32 | O34 | doub | 1.42Å | 1.46Å | |
| S32 | O35 | doub | 1.42Å | 1.47Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N06 | H062 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 0.97Å | 1.00Å | |
| N33 | H1 | sing | 0.97Å | 1.00Å | |
| O11 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C05 | N06 | 119.1° | 120.0° |
| O07 | C05 | C04 | 119.3° | 120.0° |
| N06 | C05 | C04 | 121.6° | 120.0° |
| C05 | N06 | H061 | 120.0° | 120.0° |
| C05 | N06 | H062 | 120.0° | 120.0° |
| C05 | C04 | N03 | 108.8° | 109.5° |
| C05 | C04 | C08 | 114.7° | 109.5° |
| C05 | C04 | H041 | 108.1° | 109.4° |
| N03 | C04 | C08 | 107.8° | 109.5° |
| C04 | N03 | C13 | 126.8° | 124.5° |
| C04 | N03 | C02 | 131.1° | 124.5° |
| N03 | C04 | H041 | 109.0° | 109.5° |
| C04 | C08 | C09 | 110.8° | 109.5° |
| C08 | C04 | H041 | 108.2° | 109.5° |
| C04 | C08 | H082 | 109.1° | 109.5° |
| C04 | C08 | H081 | 109.2° | 109.5° |
| O42 | C13 | N03 | 122.4° | 125.7° |
| O42 | C13 | C14 | 121.6° | 125.8° |
| O12 | C10 | C09 | 118.5° | 120.0° |
| O12 | C10 | O11 | 121.2° | 120.0° |
| C13 | N03 | C02 | 102.1° | 111.1° |
| N03 | C13 | C14 | 116.1° | 108.5° |
| N03 | C02 | O01 | 122.4° | 125.7° |
| N03 | C02 | C15 | 115.7° | 108.7° |
| C13 | C14 | C41 | 137.0° | 134.3° |
| C13 | C14 | C15 | 103.0° | 105.8° |
| C08 | C09 | C10 | 110.3° | 109.5° |
| C09 | C08 | H082 | 109.1° | 109.4° |
| C09 | C08 | H081 | 109.1° | 109.5° |
| C08 | C09 | H091 | 109.2° | 109.5° |
| C08 | C09 | H092 | 109.3° | 109.5° |
| O01 | C02 | C15 | 121.9° | 125.7° |
| C02 | C15 | C14 | 103.1° | 106.0° |
| C02 | C15 | C16 | 137.3° | 134.4° |
| C41 | C14 | C15 | 120.0° | 119.9° |
| C14 | C41 | C40 | 120.2° | 120.0° |
| C14 | C41 | H411 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.5° | 119.7° |
| C09 | C10 | O11 | 120.3° | 120.0° |
| C10 | C09 | H091 | 109.3° | 109.5° |
| C10 | C09 | H092 | 109.3° | 109.5° |
| C10 | O11 | H2 | 109.5° | 117.0° |
| C41 | C40 | C39 | 119.9° | 120.6° |
| C41 | C40 | H401 | 120.0° | 119.7° |
| C40 | C41 | H411 | 119.9° | 120.0° |
| C15 | C16 | C39 | 120.5° | 119.5° |
| C15 | C16 | N17 | 119.9° | 120.2° |
| C19 | C18 | N17 | 105.9° | 109.5° |
| C18 | C19 | O20 | 107.7° | 109.5° |
| C19 | C18 | H182 | 110.3° | 109.5° |
| C19 | C18 | H181 | 110.4° | 109.5° |
| C18 | C19 | H192 | 109.9° | 109.5° |
| C18 | C19 | H191 | 109.9° | 109.5° |
| C18 | N17 | C16 | 122.8° | 120.0° |
| N17 | C18 | H182 | 110.3° | 109.5° |
| N17 | C18 | H181 | 110.3° | 109.5° |
| C18 | N17 | H171 | 106.1° | 119.9° |
| C40 | C39 | C16 | 119.9° | 120.4° |
| C40 | C39 | H391 | 120.1° | 119.8° |
| C39 | C40 | H401 | 120.0° | 119.7° |
| C39 | C16 | N17 | 119.6° | 120.3° |
| C16 | C39 | H391 | 120.1° | 119.8° |
| C16 | N17 | H171 | 106.0° | 120.1° |
| C19 | O20 | C21 | 112.9° | 114.0° |
| O20 | C19 | H192 | 109.9° | 109.4° |
| O20 | C19 | H191 | 109.9° | 109.5° |
| N26 | C25 | C24 | 105.9° | 109.5° |
| C25 | N26 | C27 | 118.9° | 120.0° |
| N26 | C25 | H251 | 110.3° | 109.5° |
| N26 | C25 | H252 | 110.3° | 109.5° |
| C25 | N26 | H261 | 120.5° | 120.0° |
| C25 | C24 | O23 | 112.0° | 109.5° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.9° | 109.4° |
| C24 | C25 | H251 | 110.4° | 109.5° |
| C24 | C25 | H252 | 110.3° | 109.5° |
| N26 | C27 | O38 | 120.0° | 120.0° |
| N26 | C27 | C28 | 120.9° | 120.0° |
| C27 | N26 | H261 | 120.6° | 120.0° |
| C24 | O23 | C22 | 113.8° | 114.0° |
| O23 | C24 | H241 | 108.8° | 109.5° |
| O23 | C24 | H242 | 108.8° | 109.5° |
| O23 | C22 | C21 | 109.0° | 109.4° |
| O23 | C22 | H221 | 109.6° | 109.5° |
| O23 | C22 | H222 | 109.6° | 109.5° |
| O20 | C21 | C22 | 109.4° | 109.5° |
| O20 | C21 | H211 | 109.5° | 109.5° |
| O20 | C21 | H212 | 109.5° | 109.5° |
| O38 | C27 | C28 | 119.0° | 120.0° |
| C27 | C28 | C29 | 120.3° | 120.2° |
| C27 | C28 | C37 | 119.2° | 120.2° |
| C22 | C21 | H211 | 109.5° | 109.4° |
| C22 | C21 | H212 | 109.5° | 109.4° |
| C21 | C22 | H221 | 109.6° | 109.5° |
| C21 | C22 | H222 | 109.6° | 109.4° |
| C29 | C28 | C37 | 120.2° | 119.7° |
| C28 | C29 | C30 | 119.7° | 119.9° |
| C28 | C29 | H291 | 120.1° | 120.0° |
| C28 | C37 | C36 | 120.0° | 119.9° |
| C28 | C37 | H371 | 119.9° | 120.1° |
| C29 | C30 | C31 | 119.6° | 120.2° |
| C30 | C29 | H291 | 120.2° | 120.1° |
| C29 | C30 | H301 | 120.2° | 119.9° |
| C37 | C36 | C31 | 119.4° | 120.1° |
| C37 | C36 | H361 | 120.3° | 119.9° |
| C36 | C37 | H371 | 120.0° | 120.1° |
| C30 | C31 | C36 | 120.9° | 120.3° |
| C30 | C31 | S32 | 120.6° | 119.9° |
| C31 | C30 | H301 | 120.2° | 119.9° |
| C36 | C31 | S32 | 118.4° | 119.8° |
| C31 | C36 | H361 | 120.3° | 120.0° |
| C31 | S32 | N33 | 111.7° | 107.2° |
| C31 | S32 | O34 | 109.2° | 106.4° |
| C31 | S32 | O35 | 106.8° | 106.4° |
| N33 | S32 | O34 | 111.9° | 106.4° |
| N33 | S32 | O35 | 111.5° | 106.3° |
| S32 | N33 | H331 | 109.5° | 120.0° |
| S32 | N33 | H1 | 109.5° | 120.0° |
| O34 | S32 | O35 | 105.3° | 123.2° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H061 | N06 | H062 | 120.0° | 120.0° |
| H331 | N33 | H1 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C05 | N06 | C04 | 179.3° | 180.0° |
| O07 | C05 | C04 | N03 | 51.3° | 0.0° |
| O07 | C05 | C04 | C08 | 172.2° | 120.0° |
| O07 | C05 | C04 | H041 | 67.0° | 120.0° |
| O07 | C05 | N06 | H061 | 0.0° | 180.0° |
| O07 | C05 | N06 | H062 | 180.0° | 0.0° |
| N06 | C05 | C04 | N03 | 129.4° | 180.0° |
| N06 | C05 | C04 | C08 | 8.5° | 60.0° |
| N06 | C05 | C04 | H041 | 112.3° | 60.0° |
| C05 | N06 | H061 | H062 | 180.0° | 180.0° |
| C05 | C04 | N03 | C08 | 125.0° | 120.0° |
| C05 | C04 | N03 | H041 | 117.7° | 120.0° |
| C05 | C04 | C08 | H041 | 120.8° | 119.9° |
| C05 | C04 | N03 | C13 | 44.5° | 60.1° |
| C05 | C04 | N03 | C02 | 136.5° | 120.0° |
| C05 | C04 | C08 | C09 | 161.3° | 175.0° |
| C05 | C04 | C08 | H082 | 78.5° | 65.0° |
| C05 | C04 | C08 | H081 | 41.1° | 55.0° |
| C04 | C05 | N06 | H061 | 179.3° | 0.0° |
| C04 | C05 | N06 | H062 | 0.7° | 180.0° |
| N03 | C04 | C08 | H041 | 117.8° | 120.1° |
| C04 | N03 | C13 | O42 | 0.7° | 0.1° |
| C04 | N03 | C13 | C02 | 179.2° | 179.9° |
| C04 | N03 | C13 | C14 | 179.6° | 179.9° |
| N03 | C04 | C08 | C09 | 77.3° | 65.0° |
| C04 | N03 | C02 | O01 | 0.6° | 0.1° |
| C04 | N03 | C02 | C15 | 179.6° | 179.8° |
| N03 | C04 | C08 | H082 | 42.9° | 55.0° |
| N03 | C04 | C08 | H081 | 162.5° | 175.0° |
| C08 | C04 | N03 | C13 | 80.5° | 59.9° |
| C08 | C04 | N03 | C02 | 98.5° | 120.0° |
| C04 | C08 | C09 | H082 | 120.2° | 120.0° |
| C04 | C08 | C09 | H081 | 120.2° | 120.1° |
| C04 | C08 | C09 | C10 | 89.3° | 180.0° |
| C04 | C08 | H082 | H081 | 119.4° | 120.1° |
| C04 | C08 | C09 | H091 | 30.8° | 60.0° |
| C04 | C08 | C09 | H092 | 150.6° | 59.9° |
| O42 | C13 | N03 | C14 | 179.7° | 179.9° |
| O42 | C13 | N03 | C02 | 179.9° | 180.0° |
| O42 | C13 | C14 | C41 | 0.1° | 0.1° |
| O42 | C13 | C14 | C15 | 179.9° | 179.8° |
| O12 | C10 | C09 | C08 | 30.0° | 0.0° |
| O12 | C10 | C09 | O11 | 180.0° | 180.0° |
| O12 | C10 | C09 | H091 | 90.1° | 120.0° |
| O12 | C10 | C09 | H092 | 150.1° | 120.0° |
| O12 | C10 | O11 | H2 | 0.0° | 0.0° |
| C13 | N03 | C02 | O01 | 179.8° | 180.0° |
| C13 | N03 | C02 | C15 | 0.4° | 0.2° |
| N03 | C13 | C14 | C41 | 179.8° | 179.8° |
| N03 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | N03 | C04 | H041 | 162.2° | 180.0° |
| C02 | N03 | C13 | C14 | 0.4° | 0.1° |
| N03 | C02 | O01 | C15 | 179.8° | 179.7° |
| N03 | C02 | C15 | C14 | 0.3° | 0.2° |
| N03 | C02 | C15 | C16 | 179.3° | 179.7° |
| C02 | N03 | C04 | H041 | 18.8° | 0.1° |
| C13 | C14 | C15 | C02 | 0.0° | 0.2° |
| C13 | C14 | C41 | C15 | 179.9° | 179.7° |
| C13 | C14 | C41 | C40 | 179.9° | 179.7° |
| C13 | C14 | C15 | C16 | 179.6° | 179.8° |
| C13 | C14 | C41 | H411 | 0.0° | 0.2° |
| C08 | C09 | C10 | H091 | 120.1° | 120.0° |
| C08 | C09 | C10 | H092 | 120.1° | 120.0° |
| C08 | C09 | C10 | O11 | 150.0° | 180.0° |
| C09 | C08 | C04 | H041 | 40.5° | 55.1° |
| C09 | C08 | H082 | H081 | 119.3° | 119.9° |
| C08 | C09 | H091 | H092 | 119.6° | 120.0° |
| O01 | C02 | C15 | C14 | 179.9° | 180.0° |
| O01 | C02 | C15 | C16 | 0.6° | 0.0° |
| C02 | C15 | C14 | C41 | 179.9° | 180.0° |
| C02 | C15 | C14 | C16 | 179.6° | 180.0° |
| C02 | C15 | C16 | C39 | 179.8° | 179.9° |
| C02 | C15 | C16 | N17 | 1.3° | 0.1° |
| C14 | C41 | C40 | H411 | 180.0° | 180.0° |
| C41 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C41 | C40 | C39 | 0.1° | 0.0° |
| C14 | C41 | C40 | H401 | 179.8° | 179.9° |
| C15 | C14 | C41 | C40 | 0.1° | 0.0° |
| C14 | C15 | C16 | C39 | 0.7° | 0.0° |
| C14 | C15 | C16 | N17 | 179.2° | 180.0° |
| C15 | C14 | C41 | H411 | 179.9° | 180.0° |
| C10 | C09 | C08 | H082 | 150.5° | 60.0° |
| C10 | C09 | C08 | H081 | 30.9° | 59.9° |
| C10 | C09 | H091 | H092 | 119.6° | 120.0° |
| C09 | C10 | O11 | H2 | 180.0° | 180.0° |
| O11 | C10 | C09 | H091 | 89.9° | 60.0° |
| O11 | C10 | C09 | H092 | 29.9° | 60.0° |
| C41 | C40 | C39 | H401 | 180.0° | 179.9° |
| C41 | C40 | C39 | C16 | 0.4° | 0.0° |
| C41 | C40 | C39 | H391 | 179.6° | 180.0° |
| C15 | C16 | N17 | C18 | 80.4° | 180.0° |
| C15 | C16 | C39 | C40 | 0.7° | 0.0° |
| C15 | C16 | C39 | N17 | 178.5° | 180.0° |
| C15 | C16 | C39 | H391 | 179.3° | 180.0° |
| C15 | C16 | N17 | H171 | 41.4° | 0.0° |
| C19 | C18 | N17 | H182 | 119.4° | 120.0° |
| C19 | C18 | N17 | H181 | 119.4° | 120.0° |
| C19 | C18 | N17 | C16 | 177.3° | 180.0° |
| C18 | C19 | O20 | H192 | 119.7° | 120.0° |
| C18 | C19 | O20 | H191 | 119.7° | 120.0° |
| C18 | C19 | O20 | C21 | 142.5° | 180.0° |
| C19 | C18 | H182 | H181 | 121.7° | 120.0° |
| C18 | C19 | H192 | H191 | 120.8° | 120.0° |
| C19 | C18 | N17 | H171 | 60.9° | 0.0° |
| C18 | N17 | C16 | C39 | 101.0° | 0.0° |
| C18 | N17 | C16 | H171 | 121.8° | 180.0° |
| N17 | C18 | C19 | O20 | 11.5° | 65.0° |
| N17 | C18 | H182 | H181 | 121.6° | 120.0° |
| N17 | C18 | C19 | H192 | 108.2° | 175.0° |
| N17 | C18 | C19 | H191 | 131.2° | 55.0° |
| C40 | C39 | C16 | H391 | 180.0° | 179.9° |
| C40 | C39 | C16 | N17 | 179.2° | 180.0° |
| C39 | C40 | C41 | H411 | 179.9° | 180.0° |
| C16 | C39 | C40 | H401 | 179.6° | 179.9° |
| C39 | C16 | N17 | H171 | 137.1° | 180.0° |
| C16 | N17 | C18 | H182 | 57.8° | 60.0° |
| C16 | N17 | C18 | H181 | 63.3° | 60.0° |
| N17 | C16 | C39 | H391 | 0.8° | 0.1° |
| C19 | O20 | C21 | C22 | 102.6° | 180.0° |
| O20 | C19 | C18 | H182 | 108.0° | 175.0° |
| O20 | C19 | C18 | H181 | 130.9° | 55.0° |
| O20 | C19 | H192 | H191 | 120.8° | 120.0° |
| C19 | O20 | C21 | H211 | 17.4° | 60.0° |
| C19 | O20 | C21 | H212 | 137.4° | 60.1° |
| N26 | C25 | C24 | H251 | 119.4° | 120.0° |
| N26 | C25 | C24 | H252 | 119.4° | 120.0° |
| C25 | N26 | C27 | H261 | 180.0° | 180.0° |
| N26 | C25 | C24 | O23 | 162.0° | 65.0° |
| C25 | N26 | C27 | O38 | 1.9° | 0.0° |
| C25 | N26 | C27 | C28 | 176.3° | 180.0° |
| N26 | C25 | C24 | H241 | 41.7° | 175.0° |
| N26 | C25 | C24 | H242 | 77.6° | 55.0° |
| N26 | C25 | H251 | H252 | 121.6° | 120.0° |
| C24 | C25 | N26 | C27 | 93.5° | 180.0° |
| C25 | C24 | O23 | H241 | 120.4° | 120.0° |
| C25 | C24 | O23 | H242 | 120.4° | 120.0° |
| C25 | C24 | O23 | C22 | 160.0° | 180.0° |
| C25 | C24 | H241 | H242 | 118.9° | 120.0° |
| C24 | C25 | H251 | H252 | 121.7° | 120.0° |
| C24 | C25 | N26 | H261 | 86.5° | 0.0° |
| N26 | C27 | O38 | C28 | 178.2° | 180.0° |
| N26 | C27 | C28 | C29 | 7.4° | 180.0° |
| N26 | C27 | C28 | C37 | 178.4° | 0.3° |
| C27 | N26 | C25 | H251 | 147.1° | 60.0° |
| C27 | N26 | C25 | H252 | 26.0° | 60.0° |
| C24 | O23 | C22 | C21 | 121.2° | 180.0° |
| C24 | O23 | C22 | H221 | 118.9° | 60.0° |
| C24 | O23 | C22 | H222 | 1.3° | 60.1° |
| O23 | C24 | H241 | H242 | 118.9° | 120.0° |
| O23 | C24 | C25 | H251 | 78.6° | 175.0° |
| O23 | C24 | C25 | H252 | 42.6° | 55.0° |
| O23 | C22 | C21 | O20 | 83.0° | 65.0° |
| O23 | C22 | C21 | H221 | 119.9° | 120.0° |
| O23 | C22 | C21 | H222 | 119.9° | 120.0° |
| O23 | C22 | C21 | H211 | 37.0° | 175.0° |
| O23 | C22 | C21 | H212 | 157.0° | 55.0° |
| O23 | C22 | H221 | H222 | 120.2° | 120.0° |
| C22 | O23 | C24 | H241 | 39.6° | 60.0° |
| C22 | O23 | C24 | H242 | 79.6° | 60.0° |
| O20 | C21 | C22 | H211 | 120.0° | 120.0° |
| O20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C21 | O20 | C19 | H192 | 22.8° | 60.0° |
| C21 | O20 | C19 | H191 | 97.8° | 60.0° |
| O20 | C21 | H211 | H212 | 120.0° | 120.0° |
| O20 | C21 | C22 | H221 | 36.9° | 175.0° |
| O20 | C21 | C22 | H222 | 157.0° | 55.0° |
| O38 | C27 | C28 | C29 | 170.8° | 0.0° |
| O38 | C27 | C28 | C37 | 3.4° | 179.7° |
| O38 | C27 | N26 | H261 | 178.1° | 180.0° |
| C27 | C28 | C29 | C37 | 174.1° | 179.7° |
| C27 | C28 | C29 | C30 | 177.4° | 180.0° |
| C27 | C28 | C37 | C36 | 177.9° | 179.7° |
| C27 | C28 | C29 | H291 | 2.6° | 0.0° |
| C27 | C28 | C37 | H371 | 2.2° | 0.0° |
| C28 | C27 | N26 | H261 | 3.7° | 0.0° |
| C22 | C21 | H211 | H212 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.3° | 120.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C29 | C28 | C37 | C36 | 3.7° | 0.6° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C28 | C29 | C30 | H301 | 179.2° | 180.0° |
| C29 | C28 | C37 | H371 | 176.4° | 179.7° |
| C37 | C28 | C29 | C30 | 3.3° | 0.3° |
| C28 | C37 | C36 | H371 | 180.0° | 179.7° |
| C28 | C37 | C36 | C31 | 1.5° | 0.6° |
| C37 | C28 | C29 | H291 | 176.7° | 179.7° |
| C28 | C37 | C36 | H361 | 178.5° | 179.6° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C36 | 1.4° | 0.0° |
| C29 | C30 | C31 | S32 | 179.3° | 180.0° |
| C37 | C36 | C31 | C30 | 1.1° | 0.3° |
| C37 | C36 | C31 | H361 | 180.0° | 179.7° |
| C37 | C36 | C31 | S32 | 179.7° | 179.7° |
| C30 | C31 | C36 | S32 | 179.3° | 180.0° |
| C30 | C31 | S32 | N33 | 39.7° | 90.0° |
| C30 | C31 | S32 | O34 | 164.1° | 156.4° |
| C30 | C31 | S32 | O35 | 82.5° | 23.5° |
| C31 | C30 | C29 | H291 | 179.2° | 180.0° |
| C30 | C31 | C36 | H361 | 178.9° | 179.9° |
| C36 | C31 | S32 | N33 | 141.0° | 90.1° |
| C36 | C31 | S32 | O34 | 16.7° | 23.5° |
| C36 | C31 | S32 | O35 | 96.8° | 156.5° |
| C36 | C31 | C30 | H301 | 178.6° | 180.0° |
| C31 | C36 | C37 | H371 | 178.6° | 179.7° |
| C31 | S32 | N33 | O34 | 122.8° | 113.6° |
| C31 | S32 | N33 | O35 | 119.5° | 113.5° |
| C31 | S32 | O34 | O35 | 114.4° | 123.0° |
| S32 | C31 | C30 | H301 | 0.6° | 0.0° |
| S32 | C31 | C36 | H361 | 0.3° | 0.0° |
| C31 | S32 | N33 | H331 | 180.0° | 0.1° |
| C31 | S32 | N33 | H1 | 60.0° | 179.9° |
| N33 | S32 | O34 | O35 | 121.4° | 122.9° |
| S32 | N33 | H331 | H1 | 120.0° | 179.9° |
| O34 | S32 | N33 | H331 | 57.2° | 113.5° |
| O34 | S32 | N33 | H1 | 62.8° | 66.4° |
| O35 | S32 | N33 | H331 | 60.5° | 113.6° |
| O35 | S32 | N33 | H1 | 179.5° | 66.6° |
| H041 | C04 | C08 | H082 | 160.8° | 175.0° |
| H041 | C04 | C08 | H081 | 79.7° | 65.0° |
| H082 | C08 | C09 | H091 | 89.4° | 180.0° |
| H082 | C08 | C09 | H092 | 30.3° | 60.1° |
| H081 | C08 | C09 | H091 | 151.1° | 60.0° |
| H081 | C08 | C09 | H092 | 89.2° | 180.0° |
| H182 | C18 | C19 | H192 | 132.3° | 55.0° |
| H182 | C18 | C19 | H191 | 11.8° | 65.0° |
| H182 | C18 | N17 | H171 | 179.6° | 120.0° |
| H181 | C18 | C19 | H192 | 11.2° | 64.9° |
| H181 | C18 | C19 | H191 | 109.4° | 175.1° |
| H181 | C18 | N17 | H171 | 58.5° | 120.1° |
| H211 | C21 | C22 | H221 | 156.9° | 55.0° |
| H211 | C21 | C22 | H222 | 83.0° | 65.0° |
| H212 | C21 | C22 | H221 | 83.1° | 65.0° |
| H212 | C21 | C22 | H222 | 37.0° | 175.0° |
| H241 | C24 | C25 | H251 | 161.1° | 55.0° |
| H241 | C24 | C25 | H252 | 77.8° | 65.0° |
| H242 | C24 | C25 | H251 | 41.8° | 65.0° |
| H242 | C24 | C25 | H252 | 163.0° | 175.0° |
| H251 | C25 | N26 | H261 | 32.9° | 120.0° |
| H252 | C25 | N26 | H261 | 154.1° | 120.0° |
| H291 | C29 | C30 | H301 | 0.8° | 0.0° |
| H361 | C36 | C37 | H371 | 1.5° | 0.0° |
| H391 | C39 | C40 | H401 | 0.4° | 0.0° |
| H401 | C40 | C41 | H411 | 0.1° | 0.1° |
