6TB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C22 | C21 | sing | 1.55Å | 1.54Å | |
| C23 | C24 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.54Å | 1.55Å | |
| C20 | C24 | sing | 1.54Å | 1.54Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| N19 | C25 | sing | 1.47Å | 1.47Å | |
| N19 | C18 | sing | 1.38Å | 1.39Å | |
| C15 | N14 | sing | 1.47Å | 1.44Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | C28 | sing | 1.51Å | 1.49Å | |
| N17 | C18 | sing | 1.33Å | 1.37Å | Aromatic |
| N17 | C16 | doub | 1.32Å | 1.37Å | Aromatic |
| C18 | C32 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | O31 | doub | 1.21Å | 1.25Å | |
| C28 | N29 | sing | 1.35Å | 1.35Å | |
| N14 | C16 | sing | 1.39Å | 1.38Å | |
| N14 | C13 | sing | 1.39Å | 1.38Å | |
| C16 | N34 | sing | 1.32Å | 1.34Å | Aromatic |
| C32 | N29 | sing | 1.40Å | 1.38Å | |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| N29 | C30 | sing | 1.46Å | 1.46Å | |
| C13 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| N34 | C33 | doub | 1.33Å | 1.34Å | Aromatic |
| O11 | C10 | sing | 1.36Å | 1.38Å | |
| O11 | C12 | sing | 1.43Å | 1.46Å | |
| C10 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C36 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.42Å | |
| O37 | C07 | doub | 1.22Å | 1.27Å | |
| C07 | N06 | sing | 1.35Å | 1.36Å | |
| N06 | C05 | sing | 1.46Å | 1.43Å | |
| C38 | C05 | sing | 1.53Å | 1.55Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C39 | N02 | sing | 1.47Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.55Å | |
| N02 | C03 | sing | 1.47Å | 1.50Å | |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | 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 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 106.4° | 102.8° |
| C22 | C23 | C24 | 105.3° | 104.2° |
| C23 | C22 | H222 | 110.3° | 110.7° |
| C23 | C22 | H221 | 110.2° | 110.7° |
| C22 | C23 | H232 | 110.5° | 110.5° |
| C22 | C23 | H231 | 110.5° | 110.5° |
| C22 | C21 | C20 | 106.2° | 104.2° |
| C22 | C21 | H211 | 110.3° | 110.5° |
| C22 | C21 | H212 | 110.3° | 110.6° |
| C21 | C22 | H222 | 110.2° | 110.8° |
| C21 | C22 | H221 | 110.2° | 110.8° |
| C23 | C24 | C20 | 103.5° | 106.6° |
| C23 | C24 | H242 | 110.9° | 110.0° |
| C23 | C24 | H241 | 110.9° | 110.1° |
| C24 | C23 | H232 | 110.5° | 110.4° |
| C24 | C23 | H231 | 110.5° | 110.5° |
| C21 | C20 | C24 | 105.1° | 106.6° |
| C21 | C20 | N19 | 111.8° | 110.0° |
| C21 | C20 | H201 | 106.1° | 110.1° |
| C20 | C21 | H211 | 110.3° | 110.5° |
| C20 | C21 | H212 | 110.3° | 110.5° |
| C24 | C20 | N19 | 119.7° | 110.0° |
| C24 | C20 | H201 | 106.2° | 110.0° |
| C20 | C24 | H242 | 110.9° | 110.0° |
| C20 | C24 | H241 | 110.9° | 110.1° |
| C20 | N19 | C25 | 116.3° | 111.0° |
| C20 | N19 | C18 | 123.3° | 111.0° |
| N19 | C20 | H201 | 107.2° | 110.0° |
| C25 | N19 | C18 | 116.8° | 112.3° |
| N19 | C25 | C26 | 117.6° | 109.4° |
| N19 | C25 | C28 | 113.3° | 110.3° |
| N19 | C25 | H251 | 106.4° | 109.3° |
| N19 | C18 | N17 | 124.7° | 120.6° |
| N19 | C18 | C32 | 118.7° | 120.5° |
| C15 | N14 | C16 | 117.1° | 120.0° |
| C15 | N14 | C13 | 117.0° | 120.0° |
| N14 | C15 | H151 | 109.5° | 109.5° |
| N14 | C15 | H153 | 109.5° | 109.5° |
| N14 | C15 | H152 | 109.5° | 109.4° |
| C26 | C25 | C28 | 107.1° | 109.3° |
| C25 | C26 | C27 | 113.4° | 109.4° |
| C25 | C26 | H262 | 108.5° | 109.5° |
| C25 | C26 | H261 | 108.5° | 109.5° |
| C26 | C25 | H251 | 105.4° | 109.2° |
| C25 | C28 | O31 | 118.8° | 120.3° |
| C25 | C28 | N29 | 120.3° | 119.4° |
| C28 | C25 | H251 | 106.2° | 109.4° |
| C18 | N17 | C16 | 124.4° | 120.4° |
| N17 | C18 | C32 | 116.6° | 118.8° |
| N17 | C16 | N14 | 122.7° | 119.0° |
| N17 | C16 | N34 | 117.6° | 122.0° |
| C18 | C32 | N29 | 122.4° | 120.0° |
| C18 | C32 | C33 | 118.1° | 118.9° |
| C27 | C26 | H262 | 108.5° | 109.5° |
| C27 | C26 | H261 | 108.5° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.4° |
| C26 | C27 | H271 | 109.4° | 109.5° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| O31 | C28 | N29 | 121.0° | 120.3° |
| C28 | N29 | C32 | 119.0° | 118.5° |
| C28 | N29 | C30 | 120.7° | 120.7° |
| C16 | N14 | C13 | 121.8° | 120.0° |
| N14 | C16 | N34 | 119.6° | 119.0° |
| N14 | C13 | C35 | 120.3° | 120.0° |
| N14 | C13 | C10 | 120.2° | 119.9° |
| C16 | N34 | C33 | 121.7° | 120.9° |
| N29 | C32 | C33 | 119.4° | 121.1° |
| C32 | N29 | C30 | 120.3° | 120.7° |
| C32 | C33 | N34 | 121.5° | 118.8° |
| C32 | C33 | H331 | 119.3° | 120.6° |
| N29 | C30 | H302 | 109.5° | 109.5° |
| N29 | C30 | H303 | 109.5° | 109.5° |
| N29 | C30 | H301 | 109.5° | 109.5° |
| C35 | C13 | C10 | 119.5° | 120.1° |
| C13 | C35 | C36 | 120.5° | 120.1° |
| C13 | C35 | H351 | 119.7° | 119.9° |
| C13 | C10 | O11 | 117.2° | 120.0° |
| C13 | C10 | C09 | 119.3° | 120.0° |
| C35 | C36 | C08 | 121.1° | 120.0° |
| C36 | C35 | H351 | 119.8° | 119.9° |
| C35 | C36 | H361 | 119.4° | 120.0° |
| N34 | C33 | H331 | 119.2° | 120.6° |
| C10 | O11 | C12 | 120.7° | 116.9° |
| O11 | C10 | C09 | 123.4° | 120.1° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H123 | 109.4° | 109.6° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| C10 | C09 | C08 | 121.3° | 119.9° |
| C10 | C09 | H091 | 119.4° | 120.0° |
| C36 | C08 | C09 | 118.3° | 119.9° |
| C36 | C08 | C07 | 120.0° | 120.1° |
| C08 | C36 | H361 | 119.5° | 120.0° |
| C09 | C08 | C07 | 121.7° | 120.0° |
| C08 | C09 | H091 | 119.4° | 120.1° |
| C08 | C07 | O37 | 120.0° | 120.0° |
| C08 | C07 | N06 | 121.0° | 120.0° |
| O37 | C07 | N06 | 118.5° | 120.0° |
| C07 | N06 | C05 | 121.3° | 120.0° |
| C07 | N06 | H061 | 119.3° | 120.0° |
| N06 | C05 | C38 | 108.1° | 109.5° |
| N06 | C05 | C04 | 110.4° | 109.5° |
| N06 | C05 | H051 | 110.1° | 109.5° |
| C05 | N06 | H061 | 119.4° | 120.0° |
| C05 | C38 | C39 | 110.5° | 109.3° |
| C38 | C05 | C04 | 111.4° | 109.2° |
| C38 | C05 | H051 | 108.4° | 109.5° |
| C05 | C38 | H381 | 109.2° | 109.5° |
| C05 | C38 | H382 | 109.2° | 109.5° |
| C38 | C39 | N02 | 110.5° | 109.5° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C39 | C38 | H382 | 109.2° | 109.5° |
| C38 | C39 | H391 | 109.2° | 109.5° |
| C38 | C39 | H392 | 109.2° | 109.5° |
| C05 | C04 | C03 | 109.9° | 109.3° |
| C05 | C04 | H041 | 109.3° | 109.5° |
| C05 | C04 | H042 | 109.4° | 109.5° |
| C04 | C05 | H051 | 108.4° | 109.5° |
| C39 | N02 | C03 | 114.5° | 111.2° |
| C39 | N02 | C01 | 111.6° | 111.0° |
| N02 | C39 | H391 | 109.2° | 109.4° |
| N02 | C39 | H392 | 109.2° | 109.5° |
| C04 | C03 | N02 | 113.1° | 109.5° |
| C04 | C03 | H032 | 108.6° | 109.4° |
| C04 | C03 | H031 | 108.5° | 109.4° |
| C03 | C04 | H041 | 109.4° | 109.5° |
| C03 | C04 | H042 | 109.4° | 109.5° |
| C03 | N02 | C01 | 111.3° | 111.0° |
| N02 | C03 | H032 | 108.6° | 109.5° |
| N02 | C03 | H031 | 108.6° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 110.5° |
| H222 | C22 | H221 | 109.5° | 110.8° |
| H242 | C24 | H241 | 109.5° | 110.0° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.5° | 110.5° |
| H273 | C27 | H271 | 109.5° | 109.4° |
| H273 | C27 | H272 | 109.4° | 109.4° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.6° |
| H391 | C39 | H392 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H222 | 119.6° | 118.3° |
| C23 | C22 | C21 | H221 | 119.5° | 118.3° |
| C22 | C23 | C24 | H232 | 119.3° | 118.7° |
| C22 | C23 | C24 | H231 | 119.3° | 118.7° |
| C23 | C22 | C21 | C20 | 0.1° | 38.0° |
| C22 | C23 | C24 | C20 | 35.5° | 23.6° |
| C23 | C22 | C21 | H211 | 119.6° | 80.7° |
| C23 | C22 | C21 | H212 | 119.4° | 156.7° |
| C23 | C22 | H222 | H221 | 121.4° | 123.3° |
| C22 | C23 | C24 | H242 | 83.6° | 95.7° |
| C22 | C23 | C24 | H241 | 154.5° | 142.9° |
| C22 | C23 | H232 | H231 | 121.9° | 122.6° |
| C21 | C22 | C23 | C24 | 22.0° | 37.9° |
| C22 | C21 | C20 | H211 | 119.5° | 118.7° |
| C22 | C21 | C20 | H212 | 119.5° | 118.8° |
| C22 | C21 | C20 | C24 | 22.0° | 23.7° |
| C22 | C21 | C20 | N19 | 153.2° | 142.9° |
| C22 | C21 | C20 | H201 | 90.3° | 95.7° |
| C22 | C21 | H211 | H212 | 121.6° | 122.7° |
| C21 | C22 | H222 | H221 | 121.4° | 123.4° |
| C21 | C22 | C23 | H232 | 141.4° | 80.7° |
| C21 | C22 | C23 | H231 | 97.4° | 156.7° |
| C23 | C24 | C20 | C21 | 35.5° | 0.1° |
| C23 | C24 | C20 | H242 | 119.0° | 119.2° |
| C23 | C24 | C20 | H241 | 119.0° | 119.4° |
| C23 | C24 | C20 | N19 | 162.0° | 119.3° |
| C23 | C24 | C20 | H201 | 76.6° | 119.3° |
| C24 | C23 | C22 | H222 | 141.5° | 156.3° |
| C24 | C23 | C22 | H221 | 97.5° | 80.4° |
| C23 | C24 | H242 | H241 | 122.8° | 121.4° |
| C24 | C23 | H232 | H231 | 122.0° | 122.6° |
| C21 | C20 | C24 | N19 | 126.5° | 119.3° |
| C21 | C20 | C24 | H201 | 112.1° | 119.4° |
| C21 | C20 | N19 | H201 | 115.8° | 121.4° |
| C21 | C20 | N19 | C25 | 135.6° | 170.2° |
| C21 | C20 | N19 | C18 | 66.4° | 64.1° |
| C20 | C21 | H211 | H212 | 121.5° | 122.6° |
| C20 | C21 | C22 | H222 | 119.4° | 156.3° |
| C20 | C21 | C22 | H221 | 119.6° | 80.4° |
| C21 | C20 | C24 | H242 | 83.5° | 119.3° |
| C21 | C20 | C24 | H241 | 154.5° | 119.3° |
| C24 | C20 | N19 | H201 | 120.8° | 121.4° |
| C24 | C20 | N19 | C25 | 101.1° | 72.6° |
| C24 | C20 | N19 | C18 | 57.0° | 53.1° |
| C24 | C20 | C21 | H211 | 141.5° | 95.0° |
| C24 | C20 | C21 | H212 | 97.5° | 142.4° |
| C20 | C24 | H242 | H241 | 122.8° | 121.5° |
| C20 | C24 | C23 | H232 | 154.8° | 95.1° |
| C20 | C24 | C23 | H231 | 83.9° | 142.3° |
| C20 | N19 | C25 | C18 | 159.5° | 125.0° |
| C20 | N19 | C25 | C26 | 69.3° | 44.9° |
| C20 | N19 | C25 | C28 | 164.8° | 75.3° |
| C20 | N19 | C18 | N17 | 1.1° | 89.1° |
| C20 | N19 | C18 | C32 | 179.5° | 89.5° |
| N19 | C20 | C21 | H211 | 87.3° | 24.3° |
| N19 | C20 | C21 | H212 | 33.8° | 98.3° |
| N19 | C20 | C24 | H242 | 43.0° | 121.5° |
| N19 | C20 | C24 | H241 | 78.9° | 0.1° |
| C20 | N19 | C25 | H251 | 48.5° | 164.4° |
| N19 | C25 | C26 | C28 | 128.8° | 120.8° |
| N19 | C25 | C26 | H251 | 118.4° | 119.6° |
| N19 | C25 | C28 | H251 | 116.5° | 120.3° |
| C25 | N19 | C18 | N17 | 159.1° | 146.0° |
| C25 | N19 | C18 | C32 | 22.6° | 35.4° |
| N19 | C25 | C26 | C27 | 65.8° | 61.3° |
| N19 | C25 | C28 | O31 | 154.8° | 143.3° |
| N19 | C25 | C28 | N29 | 25.9° | 36.5° |
| C25 | N19 | C20 | H201 | 19.8° | 48.8° |
| N19 | C25 | C26 | H262 | 54.7° | 178.7° |
| N19 | C25 | C26 | H261 | 173.6° | 58.7° |
| C18 | N19 | C25 | C26 | 90.1° | 169.9° |
| C18 | N19 | C25 | C28 | 35.7° | 49.7° |
| N19 | C18 | N17 | C32 | 178.4° | 178.7° |
| N19 | C18 | N17 | C16 | 178.5° | 178.0° |
| N19 | C18 | C32 | N29 | 2.8° | 3.2° |
| N19 | C18 | C32 | C33 | 179.3° | 177.6° |
| C18 | N19 | C20 | H201 | 177.8° | 174.5° |
| C18 | N19 | C25 | H251 | 152.0° | 70.6° |
| C15 | N14 | C16 | N17 | 15.0° | 0.0° |
| C15 | N14 | C16 | C13 | 156.8° | 179.9° |
| C15 | N14 | C16 | N34 | 164.4° | 180.0° |
| C15 | N14 | C13 | C35 | 86.3° | 90.0° |
| C15 | N14 | C13 | C10 | 92.8° | 90.0° |
| N14 | C15 | H151 | H153 | 120.0° | 120.0° |
| N14 | C15 | H151 | H152 | 120.0° | 119.9° |
| N14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C26 | C25 | C28 | H251 | 112.3° | 119.5° |
| C25 | C26 | C27 | H262 | 120.6° | 120.0° |
| C25 | C26 | C27 | H261 | 120.6° | 120.0° |
| C26 | C25 | C28 | O31 | 73.9° | 23.0° |
| C26 | C25 | C28 | N29 | 105.3° | 156.7° |
| C25 | C26 | H262 | H261 | 118.2° | 120.1° |
| C25 | C26 | C27 | H273 | 180.0° | 176.7° |
| C25 | C26 | C27 | H271 | 60.0° | 63.4° |
| C25 | C26 | C27 | H272 | 60.0° | 56.7° |
| C28 | C25 | C26 | C27 | 63.0° | 177.9° |
| C25 | C28 | O31 | N29 | 179.2° | 179.8° |
| C25 | C28 | N29 | C32 | 2.1° | 5.6° |
| C25 | C28 | N29 | C30 | 179.0° | 174.4° |
| C28 | C25 | C26 | H262 | 176.5° | 57.9° |
| C28 | C25 | C26 | H261 | 57.6° | 62.1° |
| C18 | N17 | C16 | N14 | 178.9° | 180.0° |
| C18 | N17 | C16 | N34 | 1.6° | 0.0° |
| N17 | C18 | C32 | N29 | 175.7° | 178.2° |
| N17 | C18 | C32 | C33 | 2.2° | 1.1° |
| C16 | N17 | C18 | C32 | 3.1° | 0.7° |
| N17 | C16 | N14 | N34 | 179.4° | 180.0° |
| N17 | C16 | N14 | C13 | 171.8° | 180.0° |
| N17 | C16 | N34 | C33 | 0.8° | 0.4° |
| C18 | C32 | N29 | C28 | 13.4° | 12.6° |
| C18 | C32 | N29 | C33 | 177.9° | 179.2° |
| C18 | C32 | N29 | C30 | 163.4° | 167.4° |
| C18 | C32 | C33 | N34 | 0.0° | 0.7° |
| C18 | C32 | C33 | H331 | 180.0° | 179.3° |
| C27 | C26 | H262 | H261 | 118.2° | 120.0° |
| C27 | C26 | C25 | H251 | 175.8° | 58.3° |
| C26 | C27 | H273 | H271 | 120.0° | 120.0° |
| C26 | C27 | H273 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 120.0° | 120.1° |
| O31 | C28 | N29 | C32 | 178.6° | 174.2° |
| O31 | C28 | N29 | C30 | 1.8° | 5.8° |
| O31 | C28 | C25 | H251 | 38.4° | 96.5° |
| C28 | N29 | C32 | C30 | 176.9° | 180.0° |
| C28 | N29 | C32 | C33 | 168.7° | 166.6° |
| N29 | C28 | C25 | H251 | 142.4° | 83.8° |
| C28 | N29 | C30 | H302 | 180.0° | 0.0° |
| C28 | N29 | C30 | H303 | 60.0° | 120.0° |
| C28 | N29 | C30 | H301 | 60.0° | 120.0° |
| C16 | N14 | C13 | C35 | 70.5° | 90.0° |
| C16 | N14 | C13 | C10 | 110.4° | 90.0° |
| N14 | C16 | N34 | C33 | 178.6° | 179.6° |
| C16 | N14 | C15 | H151 | 180.0° | 89.9° |
| C16 | N14 | C15 | H153 | 60.0° | 150.0° |
| C16 | N14 | C15 | H152 | 60.0° | 30.0° |
| C13 | N14 | C16 | N34 | 7.6° | 0.0° |
| N14 | C13 | C35 | C10 | 179.1° | 180.0° |
| N14 | C13 | C35 | C36 | 179.5° | 180.0° |
| N14 | C13 | C10 | O11 | 0.1° | 0.3° |
| N14 | C13 | C10 | C09 | 179.0° | 180.0° |
| C13 | N14 | C15 | H151 | 22.1° | 90.0° |
| C13 | N14 | C15 | H153 | 97.9° | 30.1° |
| C13 | N14 | C15 | H152 | 142.1° | 150.1° |
| N14 | C13 | C35 | H351 | 0.6° | 0.0° |
| C16 | N34 | C33 | C32 | 1.6° | 0.0° |
| C16 | N34 | C33 | H331 | 178.4° | 179.9° |
| N29 | C32 | C33 | N34 | 178.0° | 178.5° |
| C32 | N29 | C30 | H302 | 3.2° | 180.0° |
| C32 | N29 | C30 | H303 | 123.2° | 60.0° |
| C32 | N29 | C30 | H301 | 116.8° | 60.0° |
| N29 | C32 | C33 | H331 | 2.0° | 1.4° |
| C33 | C32 | N29 | C30 | 14.5° | 13.3° |
| C32 | C33 | N34 | H331 | 180.0° | 180.0° |
| N29 | C30 | H302 | H303 | 120.0° | 120.1° |
| N29 | C30 | H302 | H301 | 120.0° | 120.0° |
| N29 | C30 | H303 | H301 | 120.0° | 120.1° |
| C13 | C35 | C36 | H351 | 180.0° | 180.0° |
| C35 | C13 | C10 | O11 | 179.2° | 179.7° |
| C35 | C13 | C10 | C09 | 0.1° | 0.0° |
| C13 | C35 | C36 | C08 | 0.2° | 0.0° |
| C13 | C35 | C36 | H361 | 179.8° | 180.0° |
| C10 | C13 | C35 | C36 | 0.3° | 0.0° |
| C13 | C10 | O11 | C09 | 179.1° | 179.7° |
| C13 | C10 | O11 | C12 | 178.0° | 179.7° |
| C13 | C10 | C09 | C08 | 0.7° | 0.0° |
| C13 | C10 | C09 | H091 | 179.3° | 179.9° |
| C10 | C13 | C35 | H351 | 179.7° | 180.0° |
| C35 | C36 | C08 | H361 | 180.0° | 180.0° |
| C35 | C36 | C08 | C09 | 0.3° | 0.0° |
| C35 | C36 | C08 | C07 | 179.0° | 180.0° |
| O11 | C10 | C09 | C08 | 179.7° | 179.7° |
| O11 | C10 | C09 | H091 | 0.2° | 0.2° |
| C10 | O11 | C12 | H122 | 180.0° | 60.0° |
| C10 | O11 | C12 | H123 | 60.0° | 60.0° |
| C10 | O11 | C12 | H121 | 60.0° | 180.0° |
| C12 | O11 | C10 | C09 | 2.9° | 0.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.1° |
| O11 | C12 | H122 | H121 | 120.0° | 120.0° |
| O11 | C12 | H123 | H121 | 120.0° | 120.0° |
| C10 | C09 | C08 | C36 | 0.8° | 0.0° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 179.4° | 180.0° |
| C36 | C08 | C09 | C07 | 178.7° | 180.0° |
| C36 | C08 | C07 | O37 | 28.2° | 180.0° |
| C36 | C08 | C07 | N06 | 160.0° | 0.0° |
| C36 | C08 | C09 | H091 | 179.2° | 179.9° |
| C08 | C36 | C35 | H351 | 179.8° | 180.0° |
| C09 | C08 | C07 | O37 | 150.4° | 0.0° |
| C09 | C08 | C07 | N06 | 21.3° | 180.0° |
| C09 | C08 | C36 | H361 | 179.7° | 180.0° |
| C08 | C07 | O37 | N06 | 171.9° | 180.0° |
| C08 | C07 | N06 | C05 | 175.6° | 180.0° |
| C08 | C07 | N06 | H061 | 4.3° | 0.0° |
| C07 | C08 | C09 | H091 | 0.5° | 0.0° |
| C07 | C08 | C36 | H361 | 1.0° | 0.0° |
| O37 | C07 | N06 | C05 | 3.8° | 0.0° |
| O37 | C07 | N06 | H061 | 176.2° | 180.0° |
| C07 | N06 | C05 | H061 | 180.0° | 180.0° |
| C07 | N06 | C05 | C38 | 83.8° | 85.3° |
| C07 | N06 | C05 | C04 | 154.0° | 155.0° |
| C07 | N06 | C05 | H051 | 34.4° | 34.8° |
| N06 | C05 | C38 | C04 | 121.5° | 119.9° |
| N06 | C05 | C38 | H051 | 119.3° | 120.2° |
| N06 | C05 | C38 | C39 | 178.6° | 177.6° |
| N06 | C05 | C04 | H051 | 120.7° | 120.2° |
| N06 | C05 | C04 | C03 | 174.0° | 177.6° |
| N06 | C05 | C04 | H041 | 53.9° | 62.4° |
| N06 | C05 | C04 | H042 | 66.0° | 57.6° |
| N06 | C05 | C38 | H381 | 61.3° | 62.4° |
| N06 | C05 | C38 | H382 | 58.4° | 57.7° |
| C05 | C38 | C39 | H381 | 120.2° | 120.0° |
| C05 | C38 | C39 | H382 | 120.2° | 119.9° |
| C38 | C05 | C04 | H051 | 119.2° | 119.9° |
| C05 | C38 | C39 | N02 | 55.8° | 59.2° |
| C38 | C05 | C04 | C03 | 53.8° | 57.7° |
| C38 | C05 | C04 | H041 | 66.3° | 177.6° |
| C38 | C05 | C04 | H042 | 173.9° | 62.3° |
| C38 | C05 | N06 | H061 | 96.1° | 94.7° |
| C05 | C38 | H381 | H382 | 119.5° | 120.1° |
| C05 | C38 | C39 | H391 | 64.4° | 179.2° |
| C05 | C38 | C39 | H392 | 176.0° | 60.8° |
| C39 | C38 | C05 | C04 | 57.1° | 57.6° |
| C38 | C39 | N02 | H391 | 120.2° | 120.0° |
| C38 | C39 | N02 | H392 | 120.2° | 120.0° |
| C38 | C39 | N02 | C03 | 54.4° | 61.8° |
| C38 | C39 | N02 | C01 | 178.1° | 174.2° |
| C39 | C38 | C05 | H051 | 62.1° | 62.3° |
| C39 | C38 | H381 | H382 | 119.5° | 120.1° |
| C38 | C39 | H391 | H392 | 119.6° | 120.0° |
| C05 | C04 | C03 | H041 | 120.0° | 119.9° |
| C05 | C04 | C03 | H042 | 120.1° | 119.9° |
| C05 | C04 | C03 | N02 | 51.1° | 59.2° |
| C05 | C04 | C03 | H032 | 171.7° | 60.8° |
| C05 | C04 | C03 | H031 | 69.4° | 179.2° |
| C05 | C04 | H041 | H042 | 119.8° | 120.1° |
| C04 | C05 | N06 | H061 | 26.0° | 25.0° |
| C04 | C05 | C38 | H381 | 177.2° | 177.6° |
| C04 | C05 | C38 | H382 | 63.1° | 62.2° |
| C39 | N02 | C03 | C04 | 52.8° | 61.8° |
| C39 | N02 | C03 | C01 | 127.7° | 124.1° |
| C39 | N02 | C01 | H011 | 180.0° | 64.3° |
| C39 | N02 | C01 | H013 | 60.0° | 55.8° |
| C39 | N02 | C01 | H012 | 60.0° | 175.8° |
| C39 | N02 | C03 | H032 | 173.3° | 58.2° |
| C39 | N02 | C03 | H031 | 67.7° | 178.3° |
| N02 | C39 | C38 | H381 | 176.0° | 179.1° |
| N02 | C39 | C38 | H382 | 64.4° | 60.7° |
| N02 | C39 | H391 | H392 | 119.5° | 120.0° |
| C04 | C03 | N02 | H032 | 120.5° | 120.0° |
| C04 | C03 | N02 | H031 | 120.5° | 120.0° |
| C04 | C03 | N02 | C01 | 179.5° | 174.2° |
| C04 | C03 | H032 | H031 | 118.3° | 119.9° |
| C03 | C04 | H041 | H042 | 119.8° | 120.1° |
| C03 | C04 | C05 | H051 | 65.4° | 62.2° |
| C03 | N02 | C01 | H011 | 50.7° | 59.9° |
| C03 | N02 | C01 | H013 | 69.2° | 180.0° |
| C03 | N02 | C01 | H012 | 170.8° | 60.0° |
| N02 | C03 | H032 | H031 | 118.4° | 120.0° |
| N02 | C03 | C04 | H041 | 68.9° | 179.1° |
| N02 | C03 | C04 | H042 | 171.2° | 60.7° |
| C03 | N02 | C39 | H391 | 65.8° | 178.2° |
| C03 | N02 | C39 | H392 | 174.6° | 58.3° |
| N02 | C01 | H011 | H013 | 120.0° | 120.1° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | N02 | C03 | H032 | 58.9° | 65.8° |
| C01 | N02 | C03 | H031 | 60.0° | 54.2° |
| C01 | N02 | C39 | H391 | 61.8° | 54.1° |
| C01 | N02 | C39 | H392 | 57.9° | 65.8° |
| H151 | C15 | H153 | H152 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 29.2° | 145.7° |
| H201 | C20 | C21 | H212 | 150.2° | 23.1° |
| H201 | C20 | C24 | H242 | 164.3° | 0.1° |
| H201 | C20 | C24 | H241 | 42.4° | 121.3° |
| H211 | C21 | C22 | H222 | 0.0° | 37.6° |
| H211 | C21 | C22 | H221 | 120.9° | 161.0° |
| H212 | C21 | C22 | H222 | 121.1° | 85.0° |
| H212 | C21 | C22 | H221 | 0.2° | 38.4° |
| H222 | C22 | C23 | H232 | 99.1° | 37.6° |
| H222 | C22 | C23 | H231 | 22.2° | 85.0° |
| H221 | C22 | C23 | H232 | 21.9° | 160.9° |
| H221 | C22 | C23 | H231 | 143.1° | 38.3° |
| H242 | C24 | C23 | H232 | 35.8° | 145.6° |
| H242 | C24 | C23 | H231 | 157.1° | 23.1° |
| H241 | C24 | C23 | H232 | 86.2° | 24.2° |
| H241 | C24 | C23 | H231 | 35.2° | 98.3° |
| H262 | C26 | C25 | H251 | 63.7° | 61.7° |
| H262 | C26 | C27 | H273 | 59.4° | 56.7° |
| H262 | C26 | C27 | H271 | 179.4° | 176.6° |
| H262 | C26 | C27 | H272 | 60.6° | 63.3° |
| H261 | C26 | C25 | H251 | 55.2° | 178.3° |
| H261 | C26 | C27 | H273 | 59.4° | 63.3° |
| H261 | C26 | C27 | H271 | 60.6° | 56.6° |
| H261 | C26 | C27 | H272 | 179.4° | 176.7° |
| H011 | C01 | H013 | H012 | 120.0° | 119.9° |
| H032 | C03 | C04 | H041 | 51.6° | 59.1° |
| H032 | C03 | C04 | H042 | 68.2° | 179.2° |
| H031 | C03 | C04 | H041 | 170.5° | 60.9° |
| H031 | C03 | C04 | H042 | 50.7° | 59.3° |
| H041 | C04 | C05 | H051 | 174.6° | 57.7° |
| H042 | C04 | C05 | H051 | 54.7° | 177.8° |
| H051 | C05 | N06 | H061 | 145.6° | 145.1° |
| H051 | C05 | C38 | H381 | 58.1° | 57.7° |
| H051 | C05 | C38 | H382 | 177.7° | 177.9° |
| H122 | C12 | H123 | H121 | 120.0° | 119.9° |
| H273 | C27 | H271 | H272 | 120.0° | 120.0° |
| H302 | C30 | H303 | H301 | 119.9° | 119.9° |
| H351 | C35 | C36 | H361 | 0.2° | 0.0° |
| H381 | C38 | C39 | H391 | 55.8° | 60.9° |
| H381 | C38 | C39 | H392 | 63.8° | 59.1° |
| H382 | C38 | C39 | H391 | 175.5° | 59.3° |
| H382 | C38 | C39 | H392 | 55.8° | 179.2° |
