L3M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C08 | C09 | sing | 1.53Å | 1.56Å | |
| O41 | S40 | doub | 1.42Å | 1.42Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| O43 | S40 | doub | 1.42Å | 1.44Å | |
| S40 | C42 | sing | 1.81Å | 1.57Å | |
| S40 | N36 | sing | 1.66Å | 1.69Å | |
| C05 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | N36 | sing | 1.40Å | 1.41Å | |
| C35 | C44 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| N36 | C37 | sing | 1.46Å | 1.55Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C44 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.53Å | 1.50Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| N32 | C02 | sing | 1.35Å | 1.39Å | |
| N32 | C16 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C02 | O01 | doub | 1.23Å | 1.25Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C19 | C27 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C27 | C29 | sing | 1.53Å | 1.54Å | |
| C20 | O26 | doub | 1.21Å | 1.27Å | |
| C20 | N21 | sing | 1.35Å | 1.36Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.53Å | 1.57Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N18 | H1 | sing | 1.01Å | 1.00Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| O28 | H281 | sing | 0.97Å | 0.95Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| N32 | H321 | sing | 0.99Å | 1.00Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H423 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 112.1° | 110.4° |
| C08 | C07 | C06 | 120.5° | 109.9° |
| C08 | C07 | H072 | 106.7° | 109.6° |
| C08 | C07 | H071 | 106.6° | 109.5° |
| C07 | C08 | H081 | 108.8° | 109.0° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| C08 | C09 | C10 | 113.9° | 110.3° |
| C09 | C08 | H081 | 108.8° | 108.9° |
| C09 | C08 | H082 | 108.8° | 109.5° |
| C08 | C09 | H092 | 108.4° | 109.4° |
| C08 | C09 | H091 | 108.4° | 109.3° |
| O41 | S40 | O43 | 112.1° | 121.0° |
| O41 | S40 | C42 | 112.1° | 110.5° |
| O41 | S40 | N36 | 109.0° | 104.3° |
| C07 | C06 | C05 | 118.2° | 110.3° |
| C07 | C06 | H061 | 107.2° | 109.5° |
| C07 | C06 | H062 | 107.2° | 109.0° |
| C06 | C07 | H072 | 106.7° | 109.8° |
| C06 | C07 | H071 | 106.7° | 109.2° |
| C06 | C05 | C34 | 120.4° | 119.7° |
| C06 | C05 | C04 | 122.5° | 120.2° |
| C05 | C06 | H061 | 107.3° | 109.6° |
| C05 | C06 | H062 | 107.3° | 108.9° |
| C09 | C10 | C33 | 121.4° | 119.7° |
| C09 | C10 | C11 | 121.3° | 120.7° |
| C10 | C09 | H092 | 108.3° | 109.3° |
| C10 | C09 | H091 | 108.4° | 109.6° |
| O43 | S40 | C42 | 107.2° | 110.6° |
| O43 | S40 | N36 | 109.6° | 104.3° |
| C42 | S40 | N36 | 106.7° | 104.5° |
| S40 | C42 | H421 | 109.5° | 109.5° |
| S40 | C42 | H422 | 109.5° | 109.5° |
| S40 | C42 | H423 | 109.5° | 109.5° |
| S40 | N36 | C35 | 120.7° | 120.0° |
| S40 | N36 | C37 | 120.7° | 120.0° |
| C34 | C05 | C04 | 117.2° | 120.1° |
| C05 | C34 | C35 | 122.6° | 120.1° |
| C05 | C34 | H341 | 118.7° | 119.9° |
| C05 | C04 | C03 | 121.1° | 120.7° |
| C05 | C04 | H041 | 119.5° | 117.8° |
| C34 | C35 | N36 | 120.3° | 120.1° |
| C34 | C35 | C44 | 117.8° | 119.8° |
| C35 | C34 | H341 | 118.7° | 120.0° |
| C33 | C10 | C11 | 117.2° | 119.6° |
| C10 | C33 | C14 | 125.1° | 120.6° |
| C10 | C33 | H331 | 117.5° | 118.8° |
| C10 | C11 | C12 | 120.6° | 120.0° |
| C10 | C11 | H111 | 119.7° | 120.0° |
| C04 | C03 | C44 | 117.8° | 118.2° |
| C04 | C03 | C02 | 119.5° | 124.3° |
| C03 | C04 | H041 | 119.4° | 121.4° |
| N36 | C35 | C44 | 121.9° | 120.1° |
| C35 | N36 | C37 | 118.6° | 120.0° |
| C35 | C44 | C03 | 123.5° | 120.6° |
| C35 | C44 | H441 | 118.3° | 120.3° |
| C33 | C14 | C15 | 122.2° | 120.1° |
| C33 | C14 | C13 | 116.2° | 119.7° |
| C14 | C33 | H331 | 117.5° | 120.6° |
| N36 | C37 | C38 | 114.8° | 109.5° |
| N36 | C37 | H371 | 108.1° | 109.5° |
| N36 | C37 | H372 | 108.1° | 109.5° |
| C11 | C12 | C13 | 120.7° | 120.3° |
| C12 | C11 | H111 | 119.7° | 120.0° |
| C11 | C12 | H121 | 119.7° | 119.8° |
| C44 | C03 | C02 | 122.7° | 117.5° |
| C03 | C44 | H441 | 118.2° | 119.1° |
| C03 | C02 | N32 | 124.0° | 127.9° |
| C03 | C02 | O01 | 118.2° | 116.3° |
| C15 | C14 | C13 | 121.5° | 120.2° |
| C14 | C15 | C16 | 112.9° | 109.2° |
| C14 | C15 | H152 | 108.6° | 109.1° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C13 | C12 | 120.1° | 119.8° |
| C14 | C13 | H131 | 119.9° | 120.2° |
| C39 | C38 | C37 | 115.3° | 109.5° |
| C39 | C38 | H382 | 108.0° | 109.5° |
| C39 | C38 | H381 | 108.0° | 109.5° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.4° |
| C38 | C37 | H371 | 108.1° | 109.5° |
| C38 | C37 | H372 | 108.1° | 109.5° |
| C37 | C38 | H382 | 108.0° | 109.5° |
| C37 | C38 | H381 | 108.0° | 109.5° |
| C02 | N32 | C16 | 129.7° | 121.7° |
| N32 | C02 | O01 | 117.8° | 115.7° |
| C02 | N32 | H321 | 115.1° | 119.0° |
| N32 | C16 | C15 | 105.0° | 109.6° |
| N32 | C16 | C17 | 112.3° | 109.7° |
| N32 | C16 | H161 | 108.5° | 110.4° |
| C16 | N32 | H321 | 115.1° | 119.3° |
| C13 | C12 | H121 | 119.6° | 119.9° |
| C12 | C13 | H131 | 119.9° | 120.0° |
| C15 | C16 | C17 | 116.0° | 108.9° |
| C16 | C15 | H152 | 108.6° | 109.4° |
| C16 | C15 | H151 | 108.6° | 109.8° |
| C15 | C16 | H161 | 107.5° | 107.8° |
| C16 | C17 | N18 | 109.8° | 109.5° |
| C17 | C16 | H161 | 107.3° | 110.3° |
| C16 | C17 | H171 | 109.4° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.5° |
| C17 | N18 | C19 | 112.6° | 111.0° |
| N18 | C17 | H171 | 109.4° | 109.4° |
| N18 | C17 | H172 | 109.4° | 109.5° |
| C17 | N18 | H1 | 108.7° | 111.0° |
| N18 | C19 | C27 | 106.3° | 109.5° |
| N18 | C19 | C20 | 110.4° | 109.5° |
| C19 | N18 | H1 | 108.7° | 111.0° |
| N18 | C19 | H191 | 110.4° | 109.5° |
| O28 | C27 | C19 | 105.0° | 109.5° |
| O28 | C27 | C29 | 107.2° | 109.5° |
| O28 | C27 | H271 | 111.2° | 109.4° |
| C27 | O28 | H281 | 109.5° | 114.0° |
| C27 | C19 | C20 | 110.2° | 109.5° |
| C19 | C27 | C29 | 114.3° | 109.5° |
| C27 | C19 | H191 | 109.5° | 109.5° |
| C19 | C27 | H271 | 109.5° | 109.5° |
| C19 | C20 | O26 | 116.6° | 120.0° |
| C19 | C20 | N21 | 124.4° | 120.0° |
| C20 | C19 | H191 | 110.0° | 109.5° |
| C27 | C29 | C30 | 110.6° | 109.5° |
| C29 | C27 | H271 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.2° | 109.4° |
| C27 | C29 | H291 | 109.2° | 109.4° |
| O26 | C20 | N21 | 119.0° | 120.0° |
| C20 | N21 | C22 | 125.5° | 120.0° |
| C20 | N21 | H211 | 117.3° | 120.0° |
| C29 | C30 | C31 | 114.2° | 109.5° |
| C30 | C29 | H292 | 109.2° | 109.5° |
| C30 | C29 | H291 | 109.2° | 109.5° |
| C29 | C30 | H301 | 108.3° | 109.5° |
| C29 | C30 | H302 | 108.3° | 109.4° |
| C31 | C30 | H301 | 108.2° | 109.5° |
| C31 | C30 | H302 | 108.3° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.4° | 109.5° |
| N21 | C22 | C23 | 117.4° | 109.4° |
| C22 | N21 | H211 | 117.2° | 120.0° |
| N21 | C22 | H221 | 107.5° | 109.4° |
| N21 | C22 | H222 | 107.5° | 109.5° |
| C22 | C23 | C25 | 115.1° | 109.5° |
| C22 | C23 | C24 | 108.8° | 109.5° |
| C23 | C22 | H221 | 107.4° | 109.5° |
| C23 | C22 | H222 | 107.4° | 109.5° |
| C22 | C23 | H231 | 108.0° | 109.5° |
| C25 | C23 | C24 | 107.2° | 109.5° |
| C25 | C23 | H231 | 109.0° | 109.4° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.4° | 109.4° |
| C24 | C23 | H231 | 108.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.4° |
| C23 | C24 | H242 | 109.4° | 109.4° |
| C23 | C24 | H241 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 108.9° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.4° | 109.1° |
| H152 | C15 | H151 | 109.5° | 109.8° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.4° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| H391 | C39 | H393 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.4° |
| H421 | C42 | H423 | 109.5° | 109.5° |
| H422 | C42 | H423 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H081 | 120.4° | 119.7° |
| C07 | C08 | C09 | H082 | 120.4° | 120.6° |
| C08 | C07 | C06 | H072 | 121.6° | 120.6° |
| C08 | C07 | C06 | H071 | 121.5° | 120.1° |
| C08 | C07 | C06 | C05 | 83.8° | 124.4° |
| C07 | C08 | C09 | C10 | 65.6° | 97.9° |
| C08 | C07 | C06 | H061 | 37.5° | 3.6° |
| C08 | C07 | C06 | H062 | 154.9° | 116.1° |
| C08 | C07 | H072 | H071 | 115.0° | 119.7° |
| C07 | C08 | H081 | H082 | 118.8° | 119.7° |
| C07 | C08 | C09 | H092 | 55.0° | 141.9° |
| C07 | C08 | C09 | H091 | 173.7° | 22.6° |
| C09 | C08 | C07 | C06 | 160.0° | 175.9° |
| C08 | C09 | C10 | H092 | 120.7° | 120.3° |
| C08 | C09 | C10 | H091 | 120.7° | 120.3° |
| C08 | C09 | C10 | C33 | 73.3° | 32.7° |
| C08 | C09 | C10 | C11 | 104.0° | 148.2° |
| C09 | C08 | C07 | H072 | 78.5° | 63.4° |
| C09 | C08 | C07 | H071 | 38.4° | 56.1° |
| C09 | C08 | H081 | H082 | 118.8° | 119.7° |
| C08 | C09 | H092 | H091 | 118.0° | 119.5° |
| O41 | S40 | O43 | C42 | 123.4° | 131.5° |
| O41 | S40 | O43 | N36 | 121.2° | 116.7° |
| O41 | S40 | C42 | N36 | 119.3° | 111.6° |
| O41 | S40 | N36 | C35 | 28.8° | 26.1° |
| O41 | S40 | N36 | C37 | 150.7° | 153.9° |
| O41 | S40 | C42 | H421 | 180.0° | 180.0° |
| O41 | S40 | C42 | H422 | 60.0° | 60.0° |
| O41 | S40 | C42 | H423 | 60.0° | 60.0° |
| C07 | C06 | C05 | H061 | 121.2° | 120.7° |
| C07 | C06 | C05 | H062 | 121.3° | 119.5° |
| C07 | C06 | C05 | C34 | 168.7° | 106.8° |
| C07 | C06 | C05 | C04 | 10.9° | 71.5° |
| C07 | C06 | H061 | H062 | 116.0° | 119.5° |
| C06 | C07 | H072 | H071 | 115.0° | 119.5° |
| C06 | C07 | C08 | H081 | 79.6° | 56.3° |
| C06 | C07 | C08 | H082 | 39.6° | 63.5° |
| C06 | C05 | C34 | C04 | 179.6° | 178.2° |
| C06 | C05 | C34 | C35 | 180.0° | 176.5° |
| C06 | C05 | C04 | C03 | 178.9° | 171.7° |
| C06 | C05 | C04 | H041 | 1.1° | 9.4° |
| C05 | C06 | H061 | H062 | 116.1° | 119.4° |
| C05 | C06 | C07 | H072 | 154.6° | 115.0° |
| C05 | C06 | C07 | H071 | 37.7° | 4.3° |
| C06 | C05 | C34 | H341 | 0.0° | 4.2° |
| C09 | C10 | C33 | C11 | 177.5° | 179.1° |
| C09 | C10 | C33 | C14 | 179.8° | 177.8° |
| C09 | C10 | C11 | C12 | 178.9° | 179.4° |
| C10 | C09 | C08 | H081 | 174.0° | 21.8° |
| C10 | C09 | C08 | H082 | 54.8° | 141.5° |
| C10 | C09 | H092 | H091 | 118.0° | 119.7° |
| C09 | C10 | C11 | H111 | 1.1° | 0.7° |
| C09 | C10 | C33 | H331 | 0.2° | 4.0° |
| O43 | S40 | C42 | N36 | 117.3° | 111.6° |
| O43 | S40 | N36 | C35 | 94.2° | 153.9° |
| O43 | S40 | N36 | C37 | 86.2° | 26.1° |
| O43 | S40 | C42 | H421 | 56.6° | 43.3° |
| O43 | S40 | C42 | H422 | 176.6° | 76.7° |
| O43 | S40 | C42 | H423 | 63.4° | 163.3° |
| C42 | S40 | N36 | C35 | 150.1° | 90.0° |
| C42 | S40 | N36 | C37 | 29.5° | 90.0° |
| S40 | C42 | H421 | H422 | 120.0° | 120.0° |
| S40 | C42 | H421 | H423 | 120.0° | 120.0° |
| S40 | C42 | H422 | H423 | 120.0° | 120.0° |
| S40 | N36 | C35 | C34 | 38.2° | 25.0° |
| S40 | N36 | C35 | C37 | 179.6° | 180.0° |
| S40 | N36 | C35 | C44 | 142.6° | 154.4° |
| S40 | N36 | C37 | C38 | 115.5° | 95.0° |
| S40 | N36 | C37 | H371 | 123.7° | 25.0° |
| S40 | N36 | C37 | H372 | 5.3° | 145.0° |
| N36 | S40 | C42 | H421 | 60.8° | 68.4° |
| N36 | S40 | C42 | H422 | 59.3° | 171.6° |
| N36 | S40 | C42 | H423 | 179.3° | 51.7° |
| C05 | C34 | C35 | H341 | 180.0° | 179.3° |
| C34 | C05 | C04 | C03 | 1.5° | 6.6° |
| C05 | C34 | C35 | N36 | 179.4° | 178.5° |
| C05 | C34 | C35 | C44 | 0.1° | 2.2° |
| C34 | C05 | C04 | H041 | 178.5° | 172.4° |
| C34 | C05 | C06 | H061 | 70.1° | 132.6° |
| C34 | C05 | C06 | H062 | 47.4° | 12.8° |
| C04 | C05 | C34 | C35 | 0.4° | 1.7° |
| C05 | C04 | C03 | H041 | 180.0° | 178.9° |
| C05 | C04 | C03 | C44 | 2.3° | 7.3° |
| C05 | C04 | C03 | C02 | 178.8° | 173.4° |
| C04 | C05 | C06 | H061 | 110.3° | 49.2° |
| C04 | C05 | C06 | H062 | 132.2° | 169.0° |
| C04 | C05 | C34 | H341 | 179.6° | 177.5° |
| C34 | C35 | N36 | C44 | 179.2° | 179.4° |
| C34 | C35 | N36 | C37 | 142.2° | 155.0° |
| C34 | C35 | C44 | C03 | 1.0° | 1.3° |
| C34 | C35 | C44 | H441 | 179.0° | 178.9° |
| C10 | C33 | C14 | H331 | 180.0° | 178.2° |
| C33 | C10 | C11 | C12 | 1.4° | 1.4° |
| C10 | C33 | C14 | C15 | 179.2° | 177.4° |
| C10 | C33 | C14 | C13 | 3.4° | 3.0° |
| C33 | C10 | C09 | H092 | 166.0° | 152.9° |
| C33 | C10 | C09 | H091 | 47.3° | 87.7° |
| C33 | C10 | C11 | H111 | 178.5° | 178.4° |
| C11 | C10 | C33 | C14 | 2.7° | 3.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 1.1° | 0.3° |
| C11 | C10 | C09 | H092 | 16.6° | 27.9° |
| C11 | C10 | C09 | H091 | 135.3° | 91.5° |
| C10 | C11 | C12 | H121 | 178.9° | 179.1° |
| C11 | C10 | C33 | H331 | 177.3° | 175.1° |
| C04 | C03 | C44 | C35 | 2.0° | 3.4° |
| C04 | C03 | C44 | C02 | 176.4° | 179.3° |
| C04 | C03 | C02 | N32 | 33.9° | 25.4° |
| C04 | C03 | C02 | O01 | 143.8° | 158.3° |
| C04 | C03 | C44 | H441 | 178.0° | 176.4° |
| N36 | C35 | C44 | C03 | 179.8° | 179.3° |
| C35 | N36 | C37 | C38 | 64.9° | 85.0° |
| N36 | C35 | C34 | H341 | 0.6° | 0.8° |
| C35 | N36 | C37 | H371 | 55.9° | 155.0° |
| C35 | N36 | C37 | H372 | 174.3° | 35.0° |
| N36 | C35 | C44 | H441 | 0.2° | 0.4° |
| C44 | C35 | N36 | C37 | 37.0° | 25.6° |
| C35 | C44 | C03 | H441 | 180.0° | 179.8° |
| C35 | C44 | C03 | C02 | 178.5° | 177.3° |
| C44 | C35 | C34 | H341 | 179.9° | 178.6° |
| C33 | C14 | C15 | C13 | 175.6° | 179.6° |
| C33 | C14 | C13 | C12 | 2.8° | 1.2° |
| C33 | C14 | C15 | C16 | 103.3° | 32.7° |
| C33 | C14 | C13 | H131 | 177.2° | 178.8° |
| C33 | C14 | C15 | H152 | 136.2° | 152.3° |
| C33 | C14 | C15 | H151 | 17.2° | 87.6° |
| N36 | C37 | C38 | C39 | 41.8° | 180.0° |
| N36 | C37 | C38 | H371 | 120.8° | 120.0° |
| N36 | C37 | C38 | H372 | 120.8° | 120.0° |
| N36 | C37 | H371 | H372 | 117.6° | 120.0° |
| N36 | C37 | C38 | H382 | 162.7° | 60.0° |
| N36 | C37 | C38 | H381 | 79.0° | 60.0° |
| C11 | C12 | C13 | C14 | 1.8° | 0.4° |
| C11 | C12 | C13 | H121 | 180.0° | 179.4° |
| C11 | C12 | C13 | H131 | 178.2° | 179.6° |
| C44 | C03 | C02 | N32 | 149.7° | 155.3° |
| C44 | C03 | C02 | O01 | 32.6° | 21.0° |
| C44 | C03 | C04 | H041 | 177.7° | 171.6° |
| C03 | C02 | N32 | O01 | 177.7° | 176.4° |
| C03 | C02 | N32 | C16 | 174.0° | 7.7° |
| C02 | C03 | C04 | H041 | 1.1° | 7.7° |
| C03 | C02 | N32 | H321 | 6.0° | 172.3° |
| C02 | C03 | C44 | H441 | 1.5° | 2.9° |
| C14 | C15 | C16 | N32 | 41.8° | 162.9° |
| C15 | C14 | C13 | C12 | 178.6° | 179.2° |
| C14 | C15 | C16 | H152 | 120.5° | 119.3° |
| C14 | C15 | C16 | H151 | 120.5° | 120.1° |
| C14 | C15 | C16 | C17 | 166.4° | 77.1° |
| C15 | C14 | C13 | H131 | 1.3° | 0.8° |
| C14 | C15 | H152 | H151 | 118.4° | 120.0° |
| C14 | C15 | C16 | H161 | 73.6° | 42.7° |
| C15 | C14 | C33 | H331 | 0.8° | 4.4° |
| C14 | C13 | C12 | H131 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 72.3° | 147.6° |
| C14 | C13 | C12 | H121 | 178.2° | 179.0° |
| C13 | C14 | C15 | H152 | 48.3° | 28.1° |
| C13 | C14 | C15 | H151 | 167.2° | 92.1° |
| C13 | C14 | C33 | H331 | 176.6° | 175.2° |
| C39 | C38 | C37 | H382 | 120.9° | 120.1° |
| C39 | C38 | C37 | H381 | 120.9° | 120.0° |
| C39 | C38 | C37 | H371 | 162.6° | 59.9° |
| C39 | C38 | C37 | H372 | 79.0° | 60.0° |
| C39 | C38 | H382 | H381 | 117.4° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H393 | H392 | 120.0° | 119.9° |
| C38 | C37 | H371 | H372 | 117.5° | 120.0° |
| C37 | C38 | H382 | H381 | 117.3° | 120.0° |
| C37 | C38 | C39 | H391 | 180.0° | 60.0° |
| C37 | C38 | C39 | H393 | 60.0° | 60.1° |
| C37 | C38 | C39 | H392 | 60.0° | 180.0° |
| C02 | N32 | C16 | H321 | 180.0° | 179.9° |
| C02 | N32 | C16 | C15 | 148.2° | 133.9° |
| C02 | N32 | C16 | C17 | 84.9° | 106.5° |
| C02 | N32 | C16 | H161 | 33.5° | 15.3° |
| C16 | N32 | C02 | O01 | 3.8° | 175.9° |
| N32 | C16 | C15 | C17 | 124.6° | 120.0° |
| N32 | C16 | C15 | H161 | 115.4° | 120.2° |
| N32 | C16 | C17 | H161 | 119.1° | 121.8° |
| N32 | C16 | C17 | N18 | 53.5° | 55.1° |
| N32 | C16 | C15 | H152 | 162.3° | 77.8° |
| N32 | C16 | C15 | H151 | 78.7° | 42.8° |
| N32 | C16 | C17 | H171 | 173.5° | 175.0° |
| N32 | C16 | C17 | H172 | 66.6° | 64.9° |
| C13 | C12 | C11 | H111 | 178.9° | 179.8° |
| O01 | C02 | N32 | H321 | 176.2° | 4.0° |
| C15 | C16 | C17 | H161 | 120.1° | 118.2° |
| C15 | C16 | C17 | N18 | 174.2° | 175.0° |
| C16 | C15 | H152 | H151 | 118.4° | 120.6° |
| C15 | C16 | C17 | H171 | 65.7° | 65.0° |
| C15 | C16 | C17 | H172 | 54.2° | 55.1° |
| C15 | C16 | N32 | H321 | 31.8° | 46.1° |
| C16 | C17 | N18 | H171 | 120.0° | 120.0° |
| C16 | C17 | N18 | H172 | 120.1° | 120.0° |
| C16 | C17 | N18 | C19 | 134.3° | 175.4° |
| C17 | C16 | C15 | H152 | 73.1° | 42.3° |
| C17 | C16 | C15 | H151 | 45.9° | 162.8° |
| C16 | C17 | H171 | H172 | 119.8° | 120.0° |
| C16 | C17 | N18 | H1 | 105.2° | 60.6° |
| C17 | C16 | N32 | H321 | 95.1° | 73.4° |
| C17 | N18 | C19 | H1 | 120.5° | 124.0° |
| C17 | N18 | C19 | C27 | 167.0° | 152.7° |
| C17 | N18 | C19 | C20 | 73.4° | 87.3° |
| N18 | C17 | C16 | H161 | 65.7° | 66.8° |
| N18 | C17 | H171 | H172 | 119.9° | 120.0° |
| C17 | N18 | C19 | H191 | 48.4° | 32.7° |
| N18 | C19 | C27 | O28 | 46.3° | 176.3° |
| N18 | C19 | C27 | C20 | 119.7° | 120.0° |
| N18 | C19 | C27 | H191 | 119.2° | 120.0° |
| N18 | C19 | C20 | H191 | 122.1° | 120.0° |
| N18 | C19 | C27 | C29 | 163.6° | 63.7° |
| N18 | C19 | C20 | O26 | 43.8° | 0.0° |
| N18 | C19 | C20 | N21 | 135.6° | 180.0° |
| C19 | N18 | C17 | H171 | 14.3° | 55.4° |
| C19 | N18 | C17 | H172 | 105.7° | 64.6° |
| N18 | C19 | C27 | H271 | 73.2° | 56.3° |
| O28 | C27 | C19 | C29 | 117.3° | 120.0° |
| O28 | C27 | C19 | H271 | 119.5° | 120.0° |
| O28 | C27 | C19 | C20 | 73.4° | 56.3° |
| O28 | C27 | C29 | H271 | 120.7° | 119.9° |
| O28 | C27 | C29 | C30 | 63.5° | 63.0° |
| O28 | C27 | C19 | H191 | 165.5° | 63.7° |
| O28 | C27 | C29 | H292 | 56.6° | 57.1° |
| O28 | C27 | C29 | H291 | 176.3° | 177.0° |
| C27 | C19 | C20 | H191 | 120.8° | 120.0° |
| C19 | C27 | C29 | H271 | 123.3° | 120.1° |
| C27 | C19 | C20 | O26 | 73.3° | 120.0° |
| C27 | C19 | C20 | N21 | 107.2° | 60.0° |
| C19 | C27 | C29 | C30 | 179.5° | 177.0° |
| C27 | C19 | N18 | H1 | 46.6° | 28.8° |
| C19 | C27 | O28 | H281 | 35.7° | 60.0° |
| C19 | C27 | C29 | H292 | 59.3° | 62.9° |
| C19 | C27 | C29 | H291 | 60.3° | 57.0° |
| C20 | C19 | C27 | C29 | 43.9° | 176.3° |
| C19 | C20 | O26 | N21 | 179.5° | 180.0° |
| C19 | C20 | N21 | C22 | 177.8° | 180.0° |
| C20 | C19 | N18 | H1 | 166.1° | 148.8° |
| C19 | C20 | N21 | H211 | 2.2° | 0.0° |
| C20 | C19 | C27 | H271 | 167.1° | 63.7° |
| C27 | C29 | C30 | H292 | 120.2° | 120.0° |
| C27 | C29 | C30 | H291 | 120.2° | 120.0° |
| C27 | C29 | C30 | C31 | 167.7° | 180.0° |
| C29 | C27 | C19 | H191 | 77.2° | 56.3° |
| C29 | C27 | O28 | H281 | 86.3° | 60.0° |
| C27 | C29 | H292 | H291 | 119.4° | 119.9° |
| C27 | C29 | C30 | H301 | 47.1° | 60.0° |
| C27 | C29 | C30 | H302 | 71.6° | 60.0° |
| O26 | C20 | N21 | C22 | 2.7° | 0.0° |
| O26 | C20 | C19 | H191 | 165.9° | 120.0° |
| O26 | C20 | N21 | H211 | 177.3° | 180.0° |
| C20 | N21 | C22 | H211 | 180.0° | 180.0° |
| C20 | N21 | C22 | C23 | 178.9° | 180.0° |
| N21 | C20 | C19 | H191 | 13.6° | 60.0° |
| C20 | N21 | C22 | H221 | 60.0° | 60.0° |
| C20 | N21 | C22 | H222 | 57.7° | 60.0° |
| C29 | C30 | C31 | H301 | 120.7° | 120.0° |
| C29 | C30 | C31 | H302 | 120.7° | 119.9° |
| C30 | C29 | C27 | H271 | 57.2° | 57.0° |
| C30 | C29 | H292 | H291 | 119.5° | 120.0° |
| C29 | C30 | H301 | H302 | 117.9° | 119.9° |
| C29 | C30 | C31 | H311 | 180.0° | 180.0° |
| C29 | C30 | C31 | H313 | 60.0° | 60.0° |
| C29 | C30 | C31 | H312 | 60.0° | 60.0° |
| C31 | C30 | C29 | H292 | 72.1° | 60.0° |
| C31 | C30 | C29 | H291 | 47.5° | 60.0° |
| C31 | C30 | H301 | H302 | 117.8° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H313 | H312 | 120.0° | 120.0° |
| N21 | C22 | C23 | H221 | 121.2° | 119.9° |
| N21 | C22 | C23 | H222 | 121.1° | 120.0° |
| N21 | C22 | C23 | C25 | 32.7° | 175.0° |
| N21 | C22 | C23 | C24 | 153.0° | 65.0° |
| N21 | C22 | H221 | H222 | 116.4° | 120.0° |
| N21 | C22 | C23 | H231 | 89.4° | 55.1° |
| C22 | C23 | C25 | C24 | 121.2° | 120.0° |
| C22 | C23 | C25 | H231 | 121.5° | 120.0° |
| C22 | C23 | C24 | H231 | 117.3° | 120.1° |
| C23 | C22 | N21 | H211 | 1.1° | 0.0° |
| C23 | C22 | H221 | H222 | 116.4° | 120.1° |
| C22 | C23 | C24 | H243 | 180.0° | 180.0° |
| C22 | C23 | C24 | H242 | 60.0° | 60.0° |
| C22 | C23 | C24 | H241 | 60.0° | 60.0° |
| C22 | C23 | C25 | H253 | 180.0° | 59.9° |
| C22 | C23 | C25 | H251 | 60.0° | 180.0° |
| C22 | C23 | C25 | H252 | 60.0° | 60.0° |
| C25 | C23 | C24 | H231 | 117.6° | 119.9° |
| C25 | C23 | C22 | H221 | 88.5° | 65.1° |
| C25 | C23 | C22 | H222 | 153.9° | 55.0° |
| C25 | C23 | C24 | H243 | 54.9° | 60.0° |
| C25 | C23 | C24 | H242 | 65.1° | 180.0° |
| C25 | C23 | C24 | H241 | 174.9° | 60.0° |
| C23 | C25 | H253 | H251 | 120.0° | 120.1° |
| C23 | C25 | H253 | H252 | 120.0° | 119.9° |
| C23 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C23 | C22 | H221 | 31.8° | 54.9° |
| C24 | C23 | C22 | H222 | 85.9° | 175.0° |
| C23 | C24 | H243 | H242 | 120.0° | 119.9° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C23 | C24 | H242 | H241 | 120.0° | 120.0° |
| C24 | C23 | C25 | H253 | 58.8° | 179.9° |
| C24 | C23 | C25 | H251 | 178.8° | 60.0° |
| C24 | C23 | C25 | H252 | 61.2° | 60.0° |
| H061 | C06 | C07 | H072 | 84.1° | 124.2° |
| H061 | C06 | C07 | H071 | 159.0° | 116.4° |
| H062 | C06 | C07 | H072 | 33.4° | 4.5° |
| H062 | C06 | C07 | H071 | 83.5° | 123.8° |
| H072 | C07 | C08 | H081 | 41.9° | 177.0° |
| H072 | C07 | C08 | H082 | 161.1° | 57.2° |
| H071 | C07 | C08 | H081 | 158.8° | 63.6° |
| H071 | C07 | C08 | H082 | 82.0° | 176.6° |
| H081 | C08 | C09 | H092 | 65.4° | 98.4° |
| H081 | C08 | C09 | H091 | 53.3° | 142.3° |
| H082 | C08 | C09 | H092 | 175.4° | 21.3° |
| H082 | C08 | C09 | H091 | 65.9° | 98.0° |
| H111 | C11 | C12 | H121 | 1.1° | 0.7° |
| H121 | C12 | C13 | H131 | 1.9° | 1.0° |
| H152 | C15 | C16 | H161 | 46.9° | 162.0° |
| H151 | C15 | C16 | H161 | 165.9° | 77.4° |
| H161 | C16 | C17 | H171 | 54.4° | 53.2° |
| H161 | C16 | C17 | H172 | 174.3° | 173.3° |
| H161 | C16 | N32 | H321 | 146.5° | 164.8° |
| H171 | C17 | N18 | H1 | 134.7° | 179.3° |
| H172 | C17 | N18 | H1 | 14.8° | 59.3° |
| H1 | N18 | C19 | H191 | 72.0° | 91.2° |
| H191 | C19 | C27 | H271 | 46.1° | 176.3° |
| H211 | N21 | C22 | H221 | 120.0° | 120.0° |
| H211 | N21 | C22 | H222 | 122.3° | 120.0° |
| H221 | C22 | C23 | H231 | 149.5° | 175.0° |
| H222 | C22 | C23 | H231 | 31.8° | 65.0° |
| H231 | C23 | C24 | H243 | 62.7° | 59.9° |
| H231 | C23 | C24 | H242 | 177.3° | 60.0° |
| H231 | C23 | C24 | H241 | 57.3° | 180.0° |
| H231 | C23 | C25 | H253 | 58.5° | 60.1° |
| H231 | C23 | C25 | H251 | 61.6° | 60.0° |
| H231 | C23 | C25 | H252 | 178.5° | 180.0° |
| H243 | C24 | H242 | H241 | 120.0° | 120.1° |
| H253 | C25 | H251 | H252 | 120.0° | 120.0° |
| H271 | C27 | O28 | H281 | 154.1° | 180.0° |
| H271 | C27 | C29 | H292 | 177.4° | 177.0° |
| H271 | C27 | C29 | H291 | 63.0° | 63.0° |
| H292 | C29 | C30 | H301 | 167.2° | 180.0° |
| H292 | C29 | C30 | H302 | 48.6° | 60.0° |
| H291 | C29 | C30 | H301 | 73.1° | 60.0° |
| H291 | C29 | C30 | H302 | 168.3° | 180.0° |
| H301 | C30 | C31 | H311 | 59.3° | 60.0° |
| H301 | C30 | C31 | H313 | 179.3° | 180.0° |
| H301 | C30 | C31 | H312 | 60.7° | 60.0° |
| H302 | C30 | C31 | H311 | 59.3° | 60.0° |
| H302 | C30 | C31 | H313 | 60.7° | 59.9° |
| H302 | C30 | C31 | H312 | 179.3° | 180.0° |
| H311 | C31 | H313 | H312 | 120.0° | 120.0° |
| H371 | C37 | C38 | H382 | 76.5° | 180.0° |
| H371 | C37 | C38 | H381 | 41.8° | 60.1° |
| H372 | C37 | C38 | H382 | 41.9° | 60.1° |
| H372 | C37 | C38 | H381 | 160.2° | 180.0° |
| H382 | C38 | C39 | H391 | 59.1° | 180.0° |
| H382 | C38 | C39 | H393 | 60.9° | 60.0° |
| H382 | C38 | C39 | H392 | 179.1° | 60.0° |
| H381 | C38 | C39 | H391 | 59.2° | 60.0° |
| H381 | C38 | C39 | H393 | 179.2° | 179.9° |
| H381 | C38 | C39 | H392 | 60.9° | 60.0° |
| H391 | C39 | H393 | H392 | 120.0° | 120.0° |
| H421 | C42 | H422 | H423 | 120.0° | 120.0° |
