8DZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O09 | sing | 1.43Å | 1.38Å | |
| O09 | C08 | sing | 1.36Å | 1.37Å | |
| O11 | C07 | sing | 1.36Å | 1.41Å | |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C03 | sing | 1.39Å | 1.43Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| O02 | C01 | sing | 1.43Å | 1.38Å | |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C13 | sing | 1.47Å | 1.52Å | |
| C13 | O15 | sing | 1.35Å | 1.36Å | |
| C13 | O14 | doub | 1.22Å | 1.14Å | |
| O15 | C16 | sing | 1.45Å | 1.37Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C41 | O40 | sing | 1.43Å | 1.37Å | |
| O40 | C35 | sing | 1.36Å | 1.35Å | |
| O42 | C43 | sing | 1.43Å | 1.36Å | |
| O42 | C34 | sing | 1.36Å | 1.37Å | |
| C18 | N19 | sing | 1.47Å | 1.26Å | |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.38Å | Aromatic |
| N19 | C20 | sing | 1.44Å | 1.34Å | |
| N19 | C25 | sing | 1.48Å | 1.35Å | |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.54Å | 1.50Å | |
| O38 | C36 | sing | 1.36Å | 1.39Å | |
| O38 | C39 | sing | 1.43Å | 1.38Å | |
| C36 | C37 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.46Å | 1.52Å | |
| C25 | C24 | sing | 1.54Å | 1.51Å | |
| C33 | C32 | doub | 1.40Å | 1.38Å | Aromatic |
| C37 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N23 | sing | 1.48Å | 1.36Å | |
| C32 | C30 | sing | 1.47Å | 1.57Å | |
| C24 | N23 | sing | 1.44Å | 1.35Å | |
| N23 | C26 | sing | 1.47Å | 1.24Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C30 | O29 | sing | 1.35Å | 1.38Å | |
| C30 | O31 | doub | 1.22Å | 1.13Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| O29 | C28 | sing | 1.45Å | 1.40Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | 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 | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O09 | C08 | 109.0° | 117.0° |
| O09 | C10 | H103 | 109.5° | 109.5° |
| O09 | C10 | H102 | 109.5° | 109.4° |
| O09 | C10 | H101 | 109.5° | 109.4° |
| O09 | C08 | C07 | 117.4° | 119.9° |
| O09 | C08 | C03 | 123.8° | 119.9° |
| C07 | O11 | C12 | 114.5° | 117.0° |
| O11 | C07 | C08 | 117.2° | 120.0° |
| O11 | C07 | C06 | 123.1° | 120.0° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H123 | 109.4° | 109.5° |
| C07 | C08 | C03 | 118.8° | 120.1° |
| C08 | C07 | C06 | 119.7° | 120.0° |
| C08 | C03 | O02 | 120.6° | 120.0° |
| C08 | C03 | C04 | 119.7° | 120.0° |
| C03 | O02 | C01 | 118.5° | 117.0° |
| O02 | C03 | C04 | 119.7° | 120.0° |
| O02 | C01 | H013 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.4° | 109.5° |
| O02 | C01 | H011 | 109.4° | 109.5° |
| C07 | C06 | C05 | 121.4° | 119.9° |
| C07 | C06 | H061 | 119.3° | 120.0° |
| C03 | C04 | C05 | 121.0° | 119.9° |
| C03 | C04 | H041 | 119.5° | 120.0° |
| C06 | C05 | C04 | 119.4° | 119.9° |
| C06 | C05 | C13 | 120.8° | 120.0° |
| C05 | C06 | H061 | 119.3° | 120.1° |
| C04 | C05 | C13 | 119.8° | 120.1° |
| C05 | C04 | H041 | 119.5° | 120.0° |
| C05 | C13 | O15 | 119.9° | 120.0° |
| C05 | C13 | O14 | 121.3° | 120.0° |
| O15 | C13 | O14 | 118.7° | 120.0° |
| C13 | O15 | C16 | 120.6° | 117.0° |
| O15 | C16 | C17 | 109.8° | 109.5° |
| O15 | C16 | H162 | 109.4° | 109.5° |
| O15 | C16 | H161 | 109.4° | 109.5° |
| C16 | C17 | C18 | 114.8° | 109.5° |
| C17 | C16 | H162 | 109.4° | 109.5° |
| C17 | C16 | H161 | 109.4° | 109.5° |
| C16 | C17 | H172 | 108.1° | 109.5° |
| C16 | C17 | H171 | 108.1° | 109.4° |
| C17 | C18 | N19 | 114.3° | 109.5° |
| C18 | C17 | H172 | 108.1° | 109.5° |
| C18 | C17 | H171 | 108.1° | 109.5° |
| C17 | C18 | H182 | 108.3° | 109.5° |
| C17 | C18 | H181 | 108.2° | 109.4° |
| C41 | O40 | C35 | 117.4° | 117.0° |
| O40 | C41 | H411 | 109.5° | 109.5° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| O40 | C41 | H412 | 109.4° | 109.5° |
| O40 | C35 | C34 | 118.0° | 120.0° |
| O40 | C35 | C36 | 120.1° | 119.9° |
| C43 | O42 | C34 | 117.4° | 117.0° |
| O42 | C43 | H432 | 109.5° | 109.5° |
| O42 | C43 | H431 | 109.5° | 109.5° |
| O42 | C43 | H433 | 109.5° | 109.5° |
| O42 | C34 | C35 | 118.5° | 120.0° |
| O42 | C34 | C33 | 121.9° | 120.0° |
| C18 | N19 | C20 | 113.2° | 111.0° |
| C18 | N19 | C25 | 111.7° | 111.0° |
| N19 | C18 | H182 | 108.2° | 109.5° |
| N19 | C18 | H181 | 108.3° | 109.5° |
| C34 | C35 | C36 | 121.9° | 120.1° |
| C35 | C34 | C33 | 119.6° | 120.1° |
| C35 | C36 | O38 | 122.0° | 120.0° |
| C35 | C36 | C37 | 118.2° | 120.0° |
| C20 | N19 | C25 | 116.5° | 114.2° |
| N19 | C20 | C21 | 113.4° | 108.6° |
| N19 | C20 | H202 | 108.5° | 109.6° |
| N19 | C20 | H201 | 108.5° | 109.6° |
| N19 | C25 | C24 | 114.5° | 112.8° |
| N19 | C25 | H251 | 108.2° | 108.8° |
| N19 | C25 | H252 | 108.2° | 108.8° |
| C34 | C33 | C32 | 118.8° | 120.0° |
| C34 | C33 | H331 | 120.6° | 120.0° |
| C20 | C21 | C22 | 117.7° | 111.9° |
| C21 | C20 | H202 | 108.5° | 109.6° |
| C21 | C20 | H201 | 108.5° | 109.6° |
| C20 | C21 | H211 | 107.4° | 109.0° |
| C20 | C21 | H212 | 107.4° | 109.0° |
| C36 | O38 | C39 | 118.1° | 117.0° |
| O38 | C36 | C37 | 119.8° | 120.0° |
| O38 | C39 | H391 | 109.5° | 109.5° |
| O38 | C39 | H392 | 109.5° | 109.5° |
| O38 | C39 | H393 | 109.5° | 109.5° |
| C36 | C37 | C32 | 120.8° | 120.0° |
| C36 | C37 | H371 | 119.6° | 120.0° |
| C21 | C22 | N23 | 116.8° | 112.2° |
| C22 | C21 | H211 | 107.4° | 109.0° |
| C22 | C21 | H212 | 107.4° | 109.0° |
| C21 | C22 | H221 | 107.6° | 108.9° |
| C21 | C22 | H222 | 107.6° | 108.9° |
| C25 | C24 | N23 | 117.0° | 112.5° |
| C25 | C24 | H241 | 107.6° | 108.8° |
| C25 | C24 | H242 | 107.6° | 108.8° |
| C24 | C25 | H251 | 108.2° | 108.8° |
| C24 | C25 | H252 | 108.2° | 108.9° |
| C33 | C32 | C37 | 120.8° | 119.8° |
| C33 | C32 | C30 | 120.0° | 120.1° |
| C32 | C33 | H331 | 120.6° | 120.0° |
| C37 | C32 | C30 | 119.2° | 120.1° |
| C32 | C37 | H371 | 119.6° | 120.0° |
| C22 | N23 | C24 | 114.8° | 110.0° |
| C22 | N23 | C26 | 113.6° | 111.0° |
| N23 | C22 | H221 | 107.6° | 108.9° |
| N23 | C22 | H222 | 107.6° | 108.9° |
| C32 | C30 | O29 | 116.5° | 120.0° |
| C32 | C30 | O31 | 123.2° | 120.0° |
| C24 | N23 | C26 | 107.1° | 111.0° |
| N23 | C24 | H241 | 107.6° | 108.9° |
| N23 | C24 | H242 | 107.5° | 108.9° |
| N23 | C26 | C27 | 115.6° | 109.5° |
| N23 | C26 | H261 | 107.9° | 109.4° |
| N23 | C26 | H262 | 107.9° | 109.5° |
| C26 | C27 | C28 | 117.3° | 109.5° |
| C27 | C26 | H261 | 107.9° | 109.5° |
| C27 | C26 | H262 | 107.9° | 109.5° |
| C26 | C27 | H272 | 107.5° | 109.5° |
| C26 | C27 | H271 | 107.5° | 109.5° |
| O29 | C30 | O31 | 120.1° | 120.0° |
| C30 | O29 | C28 | 126.2° | 117.0° |
| C27 | C28 | O29 | 103.5° | 109.5° |
| C28 | C27 | H272 | 107.5° | 109.4° |
| C28 | C27 | H271 | 107.5° | 109.5° |
| C27 | C28 | H281 | 111.0° | 109.4° |
| C27 | C28 | H282 | 111.0° | 109.5° |
| O29 | C28 | H281 | 110.9° | 109.5° |
| O29 | C28 | H282 | 111.0° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.4° | 109.6° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.7° |
| H211 | C21 | H212 | 109.4° | 108.9° |
| H221 | C22 | H222 | 109.5° | 108.9° |
| H241 | C24 | H242 | 109.5° | 108.8° |
| H251 | C25 | H252 | 109.5° | 108.7° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H391 | C39 | H393 | 109.4° | 109.4° |
| H392 | C39 | H393 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H413 | C41 | H412 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | O09 | C08 | C07 | 98.1° | 89.9° |
| C10 | O09 | C08 | C03 | 78.6° | 90.5° |
| O09 | C10 | H103 | H102 | 120.0° | 120.0° |
| O09 | C10 | H103 | H101 | 120.0° | 119.9° |
| O09 | C10 | H102 | H101 | 120.0° | 119.9° |
| O09 | C08 | C07 | O11 | 2.9° | 0.2° |
| O09 | C08 | C07 | C03 | 176.9° | 179.6° |
| O09 | C08 | C03 | O02 | 1.9° | 0.2° |
| O09 | C08 | C07 | C06 | 177.8° | 180.0° |
| O09 | C08 | C03 | C04 | 177.1° | 180.0° |
| C08 | O09 | C10 | H103 | 180.0° | 60.0° |
| C08 | O09 | C10 | H102 | 60.0° | 60.0° |
| C08 | O09 | C10 | H101 | 60.0° | 180.0° |
| O11 | C07 | C08 | C06 | 179.3° | 179.8° |
| O11 | C07 | C08 | C03 | 179.8° | 179.7° |
| O11 | C07 | C06 | C05 | 179.9° | 179.9° |
| O11 | C07 | C06 | H061 | 0.1° | 0.0° |
| C07 | O11 | C12 | H121 | 180.0° | 60.1° |
| C07 | O11 | C12 | H122 | 60.0° | 60.0° |
| C07 | O11 | C12 | H123 | 60.0° | 180.0° |
| C12 | O11 | C07 | C08 | 171.6° | 179.8° |
| C12 | O11 | C07 | C06 | 7.7° | 0.0° |
| O11 | C12 | H121 | H122 | 120.0° | 120.1° |
| O11 | C12 | H121 | H123 | 120.0° | 119.9° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C07 | C08 | C03 | O02 | 178.6° | 179.7° |
| C07 | C08 | C03 | C04 | 0.4° | 0.4° |
| C08 | C07 | C06 | C05 | 0.7° | 0.3° |
| C08 | C07 | C06 | H061 | 179.4° | 179.8° |
| C08 | C03 | O02 | C04 | 179.0° | 179.8° |
| C08 | C03 | O02 | C01 | 145.7° | 179.8° |
| C03 | C08 | C07 | C06 | 0.9° | 0.5° |
| C08 | C03 | C04 | C05 | 0.4° | 0.2° |
| C08 | C03 | C04 | H041 | 179.6° | 179.8° |
| O02 | C03 | C04 | C05 | 179.4° | 179.9° |
| C03 | O02 | C01 | H013 | 180.0° | 59.9° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 179.9° |
| O02 | C03 | C04 | H041 | 0.6° | 0.0° |
| C01 | O02 | C03 | C04 | 35.3° | 0.1° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.1° |
| O02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C04 | 0.1° | 0.0° |
| C07 | C06 | C05 | C13 | 178.9° | 180.0° |
| C03 | C04 | C05 | C06 | 0.7° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C13 | 179.5° | 180.0° |
| C06 | C05 | C04 | C13 | 178.8° | 179.9° |
| C06 | C05 | C13 | O15 | 25.0° | 0.1° |
| C06 | C05 | C13 | O14 | 157.1° | 180.0° |
| C06 | C05 | C04 | H041 | 179.3° | 180.0° |
| C04 | C05 | C13 | O15 | 153.7° | 180.0° |
| C04 | C05 | C13 | O14 | 24.1° | 0.1° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C05 | C13 | O15 | O14 | 177.9° | 179.9° |
| C05 | C13 | O15 | C16 | 170.5° | 180.0° |
| C13 | C05 | C04 | H041 | 0.5° | 0.1° |
| C13 | C05 | C06 | H061 | 1.1° | 0.1° |
| C13 | O15 | C16 | C17 | 80.2° | 179.9° |
| C13 | O15 | C16 | H162 | 159.8° | 60.0° |
| C13 | O15 | C16 | H161 | 39.9° | 59.9° |
| O14 | C13 | O15 | C16 | 7.4° | 0.1° |
| O15 | C16 | C17 | H162 | 120.1° | 120.0° |
| O15 | C16 | C17 | H161 | 120.0° | 120.0° |
| O15 | C16 | C17 | C18 | 169.7° | 180.0° |
| O15 | C16 | H162 | H161 | 119.9° | 120.0° |
| O15 | C16 | C17 | H172 | 48.9° | 60.0° |
| O15 | C16 | C17 | H171 | 69.5° | 60.0° |
| C16 | C17 | C18 | H172 | 120.8° | 120.1° |
| C16 | C17 | C18 | H171 | 120.8° | 120.0° |
| C16 | C17 | C18 | N19 | 32.4° | 180.0° |
| C17 | C16 | H162 | H161 | 119.8° | 120.0° |
| C16 | C17 | H172 | H171 | 117.6° | 119.9° |
| C16 | C17 | C18 | H182 | 153.0° | 60.0° |
| C16 | C17 | C18 | H181 | 88.3° | 60.1° |
| C17 | C18 | N19 | H182 | 120.7° | 120.0° |
| C17 | C18 | N19 | H181 | 120.7° | 119.9° |
| C17 | C18 | N19 | C20 | 115.2° | 66.1° |
| C17 | C18 | N19 | C25 | 110.9° | 165.7° |
| C18 | C17 | C16 | H162 | 70.2° | 60.0° |
| C18 | C17 | C16 | H161 | 49.7° | 60.0° |
| C18 | C17 | H172 | H171 | 117.6° | 120.0° |
| C17 | C18 | H182 | H181 | 117.8° | 120.0° |
| C41 | O40 | C35 | C34 | 98.8° | 90.0° |
| C41 | O40 | C35 | C36 | 80.4° | 90.1° |
| O40 | C41 | H411 | H413 | 120.0° | 120.0° |
| O40 | C41 | H411 | H412 | 120.0° | 120.0° |
| O40 | C41 | H413 | H412 | 120.0° | 120.0° |
| O40 | C35 | C34 | O42 | 0.4° | 0.0° |
| O40 | C35 | C34 | C36 | 179.1° | 179.9° |
| O40 | C35 | C34 | C33 | 180.0° | 180.0° |
| O40 | C35 | C36 | O38 | 0.6° | 0.0° |
| O40 | C35 | C36 | C37 | 179.8° | 179.7° |
| C35 | O40 | C41 | H411 | 180.0° | 180.0° |
| C35 | O40 | C41 | H413 | 60.0° | 60.0° |
| C35 | O40 | C41 | H412 | 60.0° | 60.0° |
| C43 | O42 | C34 | C35 | 178.0° | 180.0° |
| C43 | O42 | C34 | C33 | 1.6° | 0.0° |
| O42 | C43 | H432 | H431 | 120.0° | 120.0° |
| O42 | C43 | H432 | H433 | 120.0° | 120.0° |
| O42 | C43 | H431 | H433 | 120.0° | 120.0° |
| O42 | C34 | C35 | C33 | 179.6° | 179.9° |
| O42 | C34 | C35 | C36 | 178.7° | 179.9° |
| O42 | C34 | C33 | C32 | 179.4° | 180.0° |
| O42 | C34 | C33 | H331 | 0.6° | 0.0° |
| C34 | O42 | C43 | H432 | 180.0° | 180.0° |
| C34 | O42 | C43 | H431 | 60.0° | 60.0° |
| C34 | O42 | C43 | H433 | 60.0° | 60.0° |
| C18 | N19 | C20 | C25 | 131.6° | 126.5° |
| C18 | N19 | C20 | C21 | 145.7° | 140.1° |
| C18 | N19 | C25 | C24 | 156.8° | 168.3° |
| N19 | C18 | C17 | H172 | 88.4° | 60.0° |
| N19 | C18 | C17 | H171 | 153.2° | 60.0° |
| N19 | C18 | H182 | H181 | 117.8° | 120.0° |
| C18 | N19 | C20 | H202 | 25.2° | 20.4° |
| C18 | N19 | C20 | H201 | 93.7° | 100.1° |
| C18 | N19 | C25 | H251 | 36.1° | 47.5° |
| C18 | N19 | C25 | H252 | 82.4° | 70.8° |
| C34 | C35 | C36 | O38 | 179.7° | 179.9° |
| C34 | C35 | C36 | C37 | 1.1° | 0.3° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C35 | C34 | C33 | H331 | 179.9° | 180.0° |
| C36 | C35 | C34 | C33 | 0.9° | 0.0° |
| C35 | C36 | O38 | C37 | 179.2° | 179.7° |
| C35 | C36 | O38 | C39 | 166.9° | 180.0° |
| C35 | C36 | C37 | C32 | 0.6° | 0.6° |
| C35 | C36 | C37 | H371 | 179.4° | 179.9° |
| N19 | C20 | C21 | H202 | 120.6° | 119.7° |
| N19 | C20 | C21 | H201 | 120.6° | 119.8° |
| N19 | C20 | C21 | C22 | 70.9° | 78.7° |
| C20 | N19 | C25 | C24 | 24.6° | 41.8° |
| C20 | N19 | C18 | H182 | 5.5° | 53.9° |
| C20 | N19 | C18 | H181 | 124.1° | 174.0° |
| N19 | C20 | H202 | H201 | 118.2° | 120.4° |
| N19 | C20 | C21 | H211 | 50.3° | 42.0° |
| N19 | C20 | C21 | H212 | 167.9° | 160.7° |
| C20 | N19 | C25 | H251 | 96.1° | 79.0° |
| C20 | N19 | C25 | H252 | 145.3° | 162.7° |
| C25 | N19 | C20 | C21 | 82.7° | 93.4° |
| N19 | C25 | C24 | H251 | 120.7° | 120.8° |
| N19 | C25 | C24 | H252 | 120.7° | 120.9° |
| N19 | C25 | C24 | N23 | 59.9° | 41.7° |
| C25 | N19 | C18 | H182 | 128.4° | 74.3° |
| C25 | N19 | C18 | H181 | 9.8° | 45.7° |
| C25 | N19 | C20 | H202 | 156.7° | 146.9° |
| C25 | N19 | C20 | H201 | 37.8° | 26.4° |
| N19 | C25 | C24 | H241 | 61.1° | 162.4° |
| N19 | C25 | C24 | H242 | 179.0° | 79.1° |
| N19 | C25 | H251 | H252 | 117.7° | 118.4° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | C37 | 0.3° | 0.2° |
| C34 | C33 | C32 | C30 | 179.3° | 180.0° |
| C20 | C21 | C22 | H211 | 121.2° | 120.6° |
| C20 | C21 | C22 | H212 | 121.2° | 120.6° |
| C20 | C21 | C22 | N23 | 39.5° | 60.9° |
| C21 | C20 | H202 | H201 | 118.2° | 120.4° |
| C20 | C21 | H211 | H212 | 116.2° | 118.8° |
| C20 | C21 | C22 | H221 | 160.5° | 178.4° |
| C20 | C21 | C22 | H222 | 81.6° | 59.8° |
| O38 | C36 | C37 | C32 | 179.8° | 179.7° |
| O38 | C36 | C37 | H371 | 0.2° | 0.2° |
| C36 | O38 | C39 | H391 | 180.0° | 180.0° |
| C36 | O38 | C39 | H392 | 60.0° | 60.0° |
| C36 | O38 | C39 | H393 | 60.0° | 60.1° |
| C39 | O38 | C36 | C37 | 12.3° | 0.2° |
| O38 | C39 | H391 | H392 | 120.0° | 120.1° |
| O38 | C39 | H391 | H393 | 120.0° | 119.9° |
| O38 | C39 | H392 | H393 | 120.0° | 120.1° |
| C36 | C37 | C32 | C33 | 0.1° | 0.5° |
| C36 | C37 | C32 | H371 | 180.0° | 179.5° |
| C36 | C37 | C32 | C30 | 179.5° | 179.7° |
| C21 | C22 | N23 | H221 | 121.1° | 120.7° |
| C21 | C22 | N23 | H222 | 121.1° | 120.7° |
| C21 | C22 | N23 | C24 | 52.8° | 80.3° |
| C21 | C22 | N23 | C26 | 176.5° | 156.5° |
| C22 | C21 | C20 | H202 | 168.5° | 161.6° |
| C22 | C21 | C20 | H201 | 49.7° | 41.1° |
| C22 | C21 | H211 | H212 | 116.3° | 118.8° |
| C21 | C22 | H221 | H222 | 116.7° | 118.7° |
| C25 | C24 | N23 | C22 | 88.5° | 93.9° |
| C25 | C24 | N23 | H241 | 121.1° | 120.8° |
| C25 | C24 | N23 | H242 | 121.1° | 120.7° |
| C25 | C24 | N23 | C26 | 144.4° | 142.8° |
| C25 | C24 | H241 | H242 | 116.6° | 118.4° |
| C24 | C25 | H251 | H252 | 117.7° | 118.4° |
| C33 | C32 | C37 | C30 | 179.6° | 179.8° |
| C33 | C32 | C30 | O29 | 6.2° | 180.0° |
| C33 | C32 | C30 | O31 | 179.2° | 0.0° |
| C33 | C32 | C37 | H371 | 179.9° | 180.0° |
| C37 | C32 | C30 | O29 | 173.4° | 0.2° |
| C37 | C32 | C30 | O31 | 1.2° | 179.8° |
| C37 | C32 | C33 | H331 | 179.7° | 179.8° |
| C22 | N23 | C24 | C26 | 127.1° | 123.2° |
| C22 | N23 | C26 | C27 | 60.8° | 66.0° |
| N23 | C22 | C21 | H211 | 81.7° | 59.7° |
| N23 | C22 | C21 | H212 | 160.6° | 178.5° |
| N23 | C22 | H221 | H222 | 116.7° | 118.7° |
| C22 | N23 | C24 | H241 | 32.6° | 145.3° |
| C22 | N23 | C24 | H242 | 150.4° | 26.8° |
| C22 | N23 | C26 | H261 | 60.1° | 53.9° |
| C22 | N23 | C26 | H262 | 178.3° | 173.9° |
| C32 | C30 | O29 | O31 | 174.7° | 180.0° |
| C32 | C30 | O29 | C28 | 159.1° | 180.0° |
| C30 | C32 | C33 | H331 | 0.7° | 0.0° |
| C30 | C32 | C37 | H371 | 0.5° | 0.2° |
| C24 | N23 | C26 | C27 | 171.4° | 171.3° |
| C24 | N23 | C22 | H221 | 173.8° | 159.0° |
| C24 | N23 | C22 | H222 | 68.3° | 40.4° |
| N23 | C24 | H241 | H242 | 116.6° | 118.6° |
| N23 | C24 | C25 | H251 | 179.3° | 162.5° |
| N23 | C24 | C25 | H252 | 60.8° | 79.3° |
| C24 | N23 | C26 | H261 | 67.7° | 68.7° |
| C24 | N23 | C26 | H262 | 50.5° | 51.3° |
| N23 | C26 | C27 | H261 | 120.9° | 119.9° |
| N23 | C26 | C27 | H262 | 120.9° | 120.1° |
| N23 | C26 | C27 | C28 | 149.7° | 180.0° |
| C26 | N23 | C22 | H221 | 62.5° | 35.8° |
| C26 | N23 | C22 | H222 | 55.4° | 82.9° |
| C26 | N23 | C24 | H241 | 94.6° | 22.1° |
| C26 | N23 | C24 | H242 | 23.3° | 96.5° |
| N23 | C26 | H261 | H262 | 117.2° | 120.0° |
| N23 | C26 | C27 | H272 | 28.5° | 60.1° |
| N23 | C26 | C27 | H271 | 89.2° | 60.0° |
| C26 | C27 | C28 | H272 | 121.1° | 120.0° |
| C26 | C27 | C28 | H271 | 121.2° | 120.0° |
| C26 | C27 | C28 | O29 | 88.6° | 180.0° |
| C27 | C26 | H261 | H262 | 117.2° | 120.0° |
| C26 | C27 | H272 | H271 | 116.4° | 120.1° |
| C26 | C27 | C28 | H281 | 152.4° | 60.0° |
| C26 | C27 | C28 | H282 | 30.4° | 60.0° |
| C30 | O29 | C28 | C27 | 127.5° | 180.0° |
| C30 | O29 | C28 | H281 | 8.4° | 60.0° |
| C30 | O29 | C28 | H282 | 113.5° | 60.1° |
| O31 | C30 | O29 | C28 | 26.1° | 0.0° |
| C27 | C28 | O29 | H281 | 119.0° | 120.0° |
| C27 | C28 | O29 | H282 | 119.1° | 120.0° |
| C28 | C27 | C26 | H261 | 89.5° | 60.1° |
| C28 | C27 | C26 | H262 | 28.8° | 59.9° |
| C28 | C27 | H272 | H271 | 116.4° | 120.0° |
| C27 | C28 | H281 | H282 | 122.8° | 120.0° |
| O29 | C28 | C27 | H272 | 32.5° | 60.0° |
| O29 | C28 | C27 | H271 | 150.2° | 60.0° |
| O29 | C28 | H281 | H282 | 122.8° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H103 | C10 | H102 | H101 | 120.0° | 120.1° |
| H121 | C12 | H122 | H123 | 120.0° | 119.9° |
| H162 | C16 | C17 | H172 | 169.0° | 180.0° |
| H162 | C16 | C17 | H171 | 50.6° | 60.0° |
| H161 | C16 | C17 | H172 | 71.1° | 60.1° |
| H161 | C16 | C17 | H171 | 170.5° | 180.0° |
| H172 | C17 | C18 | H182 | 32.3° | 179.9° |
| H172 | C17 | C18 | H181 | 150.9° | 60.0° |
| H171 | C17 | C18 | H182 | 86.2° | 60.0° |
| H171 | C17 | C18 | H181 | 32.5° | 180.0° |
| H202 | C20 | C21 | H211 | 70.3° | 77.7° |
| H202 | C20 | C21 | H212 | 47.3° | 41.0° |
| H201 | C20 | C21 | H211 | 170.9° | 161.8° |
| H201 | C20 | C21 | H212 | 71.5° | 79.5° |
| H211 | C21 | C22 | H221 | 39.3° | 60.9° |
| H211 | C21 | C22 | H222 | 157.2° | 179.6° |
| H212 | C21 | C22 | H221 | 78.3° | 57.9° |
| H212 | C21 | C22 | H222 | 39.6° | 60.8° |
| H241 | C24 | C25 | H251 | 59.6° | 76.7° |
| H241 | C24 | C25 | H252 | 178.1° | 41.5° |
| H242 | C24 | C25 | H251 | 58.3° | 41.7° |
| H242 | C24 | C25 | H252 | 60.2° | 160.0° |
| H261 | C26 | C27 | H272 | 149.4° | 180.0° |
| H261 | C26 | C27 | H271 | 31.7° | 59.9° |
| H262 | C26 | C27 | H272 | 92.4° | 60.0° |
| H262 | C26 | C27 | H271 | 149.9° | 179.9° |
| H272 | C27 | C28 | H281 | 86.5° | NaN° |
| H272 | C27 | C28 | H282 | 151.6° | 60.0° |
| H271 | C27 | C28 | H281 | 31.2° | 60.0° |
| H271 | C27 | C28 | H282 | 90.7° | 180.0° |
| H391 | C39 | H392 | H393 | 120.0° | 119.9° |
| H411 | C41 | H413 | H412 | 120.0° | 120.0° |
| H432 | C43 | H431 | H433 | 120.0° | 120.0° |
