A1A3G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.38Å | 1.43Å | |
| N03 | C02 | doub | 1.33Å | 1.33Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.33Å | Aromatic |
| N05 | C04 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | N05 | sing | 1.33Å | 1.35Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.37Å | Aromatic |
| N08 | C07 | sing | 1.36Å | 1.35Å | Aromatic |
| C09 | N08 | doub | 1.30Å | 1.33Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.33Å | Aromatic |
| C11 | N10 | sing | 1.46Å | 1.49Å | |
| O12 | C11 | sing | 1.44Å | 1.61Å | |
| C13 | O12 | sing | 1.44Å | 1.29Å | |
| O15 | C14 | sing | 1.43Å | 1.42Å | |
| P16 | O15 | sing | 1.61Å | 1.68Å | |
| C18 | O17 | sing | 1.36Å | 1.43Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.55Å | |
| C25 | N24 | sing | 1.35Å | 1.51Å | |
| N27 | C26 | sing | 1.49Å | 1.32Å | |
| C28 | N27 | sing | 1.49Å | 1.64Å | |
| C29 | C28 | sing | 1.54Å | 1.35Å | |
| C30 | C29 | sing | 1.54Å | 1.55Å | |
| C26 | C25 | sing | 1.51Å | 1.55Å | |
| O31 | C25 | doub | 1.21Å | 1.19Å | |
| N24 | C23 | sing | 1.46Å | 1.49Å | |
| C32 | C23 | sing | 1.51Å | 1.52Å | |
| O33 | C32 | doub | 1.21Å | 1.25Å | |
| O34 | C32 | sing | 1.34Å | 1.26Å | |
| C22 | C21 | sing | 1.51Å | 1.54Å | |
| C35 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| O17 | P16 | sing | 1.61Å | 1.70Å | |
| O37 | P16 | doub | 1.48Å | 1.52Å | |
| O38 | P16 | sing | 1.61Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C39 | C13 | sing | 1.55Å | 1.59Å | |
| O40 | C39 | sing | 1.43Å | 1.40Å | |
| C41 | C39 | sing | 1.55Å | 1.53Å | |
| C02 | C07 | sing | 1.41Å | 1.41Å | Aromatic |
| C06 | N10 | sing | 1.37Å | 1.35Å | Aromatic |
| C11 | C41 | sing | 1.55Å | 1.33Å | |
| C18 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C30 | sing | 1.54Å | 1.59Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N27 | H271 | sing | 1.01Å | 1.00Å | |
| O34 | H2 | sing | 0.97Å | 0.95Å | |
| O38 | H3 | sing | 0.97Å | 0.95Å | |
| O40 | H401 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 119.5° | 120.8° |
| N01 | C02 | C07 | 120.5° | 120.8° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C02 | N03 | C04 | 121.8° | 121.2° |
| N03 | C02 | C07 | 119.9° | 118.5° |
| N03 | C04 | N05 | 119.7° | 122.4° |
| N03 | C04 | H041 | 120.1° | 118.8° |
| C04 | N05 | C06 | 122.1° | 120.7° |
| N05 | C04 | H041 | 120.1° | 118.8° |
| N05 | C06 | C07 | 119.9° | 119.0° |
| N05 | C06 | N10 | 132.6° | 134.9° |
| C06 | C07 | N08 | 106.2° | 107.1° |
| C06 | C07 | C02 | 116.6° | 118.2° |
| C07 | C06 | N10 | 107.5° | 106.0° |
| C07 | N08 | C09 | 109.0° | 109.4° |
| N08 | C07 | C02 | 137.3° | 134.7° |
| N08 | C09 | N10 | 108.5° | 110.0° |
| N08 | C09 | H091 | 125.8° | 125.0° |
| C09 | N10 | C11 | 130.5° | 126.3° |
| C09 | N10 | C06 | 108.8° | 107.4° |
| N10 | C09 | H091 | 125.7° | 125.0° |
| N10 | C11 | O12 | 112.8° | 110.4° |
| C11 | N10 | C06 | 120.7° | 126.3° |
| N10 | C11 | C41 | 119.7° | 110.4° |
| N10 | C11 | H111 | 106.6° | 110.3° |
| C11 | O12 | C13 | 101.3° | 105.3° |
| O12 | C11 | C41 | 102.9° | 104.8° |
| O12 | C11 | H111 | 105.3° | 110.5° |
| O12 | C13 | C14 | 109.0° | 110.4° |
| O12 | C13 | C39 | 104.4° | 104.8° |
| O12 | C13 | H131 | 111.4° | 110.4° |
| C14 | O15 | P16 | 120.9° | 123.0° |
| O15 | C14 | C13 | 105.8° | 109.5° |
| O15 | C14 | H141 | 110.4° | 109.5° |
| O15 | C14 | H142 | 110.4° | 109.4° |
| O15 | P16 | O17 | 111.2° | 109.5° |
| O15 | P16 | O37 | 108.6° | 109.5° |
| O15 | P16 | O38 | 109.6° | 109.4° |
| O17 | C18 | C19 | 120.5° | 120.0° |
| C18 | O17 | P16 | 122.2° | 114.0° |
| O17 | C18 | C36 | 120.5° | 120.0° |
| C18 | C19 | C20 | 120.6° | 119.9° |
| C19 | C18 | C36 | 119.0° | 119.9° |
| C18 | C19 | H191 | 119.7° | 120.1° |
| C19 | C20 | C21 | 120.2° | 120.0° |
| C20 | C19 | H191 | 119.7° | 120.0° |
| C19 | C20 | H201 | 119.9° | 120.0° |
| C20 | C21 | C22 | 119.2° | 119.9° |
| C20 | C21 | C35 | 119.6° | 120.1° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C22 | C23 | N24 | 109.4° | 109.4° |
| C22 | C23 | C32 | 111.2° | 109.5° |
| C23 | C22 | C21 | 114.0° | 109.5° |
| C23 | C22 | H222 | 108.3° | 109.4° |
| C23 | C22 | H221 | 108.3° | 109.5° |
| C22 | C23 | H231 | 107.4° | 109.4° |
| N24 | C25 | C26 | 122.8° | 119.9° |
| N24 | C25 | O31 | 118.6° | 120.0° |
| C25 | N24 | C23 | 117.8° | 119.9° |
| C25 | N24 | H241 | 121.1° | 120.1° |
| C26 | N27 | C28 | 103.6° | 104.2° |
| N27 | C26 | C25 | 112.8° | 110.4° |
| N27 | C26 | C30 | 103.8° | 104.6° |
| N27 | C26 | H261 | 111.8° | 110.5° |
| C26 | N27 | H271 | 110.9° | 111.0° |
| N27 | C28 | C29 | 106.0° | 104.6° |
| N27 | C28 | H282 | 110.3° | 110.5° |
| N27 | C28 | H281 | 110.3° | 110.4° |
| C28 | N27 | H271 | 110.9° | 111.0° |
| C28 | C29 | C30 | 106.1° | 105.0° |
| C29 | C28 | H282 | 110.3° | 110.4° |
| C29 | C28 | H281 | 110.3° | 110.5° |
| C28 | C29 | H292 | 110.3° | 110.3° |
| C28 | C29 | H291 | 110.3° | 110.3° |
| C29 | C30 | C26 | 104.4° | 105.1° |
| C30 | C29 | H292 | 110.3° | 110.3° |
| C30 | C29 | H291 | 110.3° | 110.4° |
| C29 | C30 | H302 | 110.7° | 110.3° |
| C29 | C30 | H301 | 110.7° | 110.3° |
| C26 | C25 | O31 | 118.6° | 120.0° |
| C25 | C26 | C30 | 111.9° | 110.4° |
| C25 | C26 | H261 | 108.5° | 110.4° |
| N24 | C23 | C32 | 112.9° | 109.5° |
| N24 | C23 | H231 | 108.1° | 109.5° |
| C23 | N24 | H241 | 121.1° | 120.0° |
| C23 | C32 | O33 | 119.5° | 120.0° |
| C23 | C32 | O34 | 120.7° | 120.0° |
| C32 | C23 | H231 | 107.7° | 109.5° |
| O33 | C32 | O34 | 119.8° | 120.0° |
| C32 | O34 | H2 | 109.5° | 117.0° |
| C22 | C21 | C35 | 121.2° | 119.9° |
| C21 | C22 | H222 | 108.3° | 109.4° |
| C21 | C22 | H221 | 108.3° | 109.5° |
| C21 | C35 | C36 | 120.1° | 120.1° |
| C21 | C35 | H351 | 119.9° | 120.0° |
| C35 | C36 | C18 | 120.4° | 119.9° |
| C36 | C35 | H351 | 119.9° | 119.9° |
| C35 | C36 | H361 | 119.8° | 120.1° |
| O17 | P16 | O37 | 108.1° | 109.5° |
| O17 | P16 | O38 | 110.7° | 109.5° |
| O37 | P16 | O38 | 108.5° | 109.5° |
| P16 | O38 | H3 | 109.5° | 114.0° |
| C14 | C13 | C39 | 117.2° | 110.4° |
| C14 | C13 | H131 | 107.6° | 110.3° |
| C13 | C14 | H141 | 110.4° | 109.5° |
| C13 | C14 | H142 | 110.4° | 109.5° |
| C13 | C39 | O40 | 114.2° | 110.5° |
| C13 | C39 | C41 | 104.3° | 104.0° |
| C39 | C13 | H131 | 107.3° | 110.4° |
| C13 | C39 | H391 | 107.6° | 110.5° |
| O40 | C39 | C41 | 112.1° | 110.7° |
| O40 | C39 | H391 | 110.1° | 110.5° |
| C39 | O40 | H401 | 109.5° | 114.0° |
| C39 | C41 | C11 | 98.3° | 104.1° |
| C41 | C39 | H391 | 108.3° | 110.5° |
| C39 | C41 | H411 | 112.2° | 110.5° |
| C39 | C41 | H412 | 112.2° | 110.5° |
| C41 | C11 | H111 | 108.7° | 110.3° |
| C11 | C41 | H411 | 112.2° | 110.5° |
| C11 | C41 | H412 | 112.2° | 110.6° |
| C18 | C36 | H361 | 119.8° | 120.0° |
| C30 | C26 | H261 | 108.0° | 110.4° |
| C26 | C30 | H302 | 110.7° | 110.3° |
| C26 | C30 | H301 | 110.7° | 110.3° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 110.4° |
| H292 | C29 | H291 | 109.5° | 110.3° |
| H302 | C30 | H301 | 109.4° | 110.4° |
| H411 | C41 | H412 | 109.5° | 110.6° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | C07 | 180.0° | 179.7° |
| N01 | C02 | N03 | C04 | 180.0° | 180.0° |
| N01 | C02 | C07 | C06 | 180.0° | 180.0° |
| N01 | C02 | C07 | N08 | 0.0° | 0.0° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C02 | N03 | C04 | N05 | 0.0° | 0.0° |
| N03 | C02 | C07 | C06 | 0.0° | 0.2° |
| N03 | C02 | C07 | N08 | 180.0° | 179.7° |
| C02 | N03 | C04 | H041 | 180.0° | 180.0° |
| N03 | C02 | N01 | H012 | 0.0° | 179.7° |
| N03 | C02 | N01 | H011 | 120.0° | 0.2° |
| N03 | C04 | N05 | H041 | 180.0° | 179.9° |
| N03 | C04 | N05 | C06 | 0.1° | 0.3° |
| C04 | N03 | C02 | C07 | 0.1° | 0.2° |
| C04 | N05 | C06 | C07 | 0.2° | 0.3° |
| C04 | N05 | C06 | N10 | 179.7° | 179.9° |
| N05 | C06 | C07 | N10 | 179.7° | 179.8° |
| N05 | C06 | C07 | N08 | 179.9° | 180.0° |
| N05 | C06 | N10 | C09 | 180.0° | 180.0° |
| N05 | C06 | N10 | C11 | 0.5° | 0.0° |
| N05 | C06 | C07 | C02 | 0.1° | 0.1° |
| C06 | N05 | C04 | H041 | 179.9° | 179.7° |
| C06 | C07 | N08 | C02 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C07 | C06 | N10 | C09 | 0.4° | 0.3° |
| C07 | C06 | N10 | C11 | 179.9° | 179.7° |
| C07 | N08 | C09 | N10 | 0.2° | 0.2° |
| N08 | C07 | C06 | N10 | 0.2° | 0.2° |
| C07 | N08 | C09 | H091 | 179.8° | 180.0° |
| N08 | C09 | N10 | H091 | 180.0° | 179.8° |
| N08 | C09 | N10 | C11 | 179.8° | 179.7° |
| C09 | N08 | C07 | C02 | 180.0° | 180.0° |
| N08 | C09 | N10 | C06 | 0.4° | 0.3° |
| C09 | N10 | C11 | C06 | 179.4° | 180.0° |
| C09 | N10 | C11 | O12 | 112.8° | 20.4° |
| C09 | N10 | C11 | C41 | 8.4° | 95.1° |
| C09 | N10 | C11 | H111 | 132.1° | 142.7° |
| N10 | C11 | O12 | C41 | 130.3° | 118.9° |
| N10 | C11 | O12 | H111 | 115.9° | 122.3° |
| N10 | C11 | O12 | C13 | 174.5° | 159.4° |
| N10 | C11 | C41 | C39 | 174.1° | 142.8° |
| N10 | C11 | C41 | H111 | 122.6° | 122.2° |
| C11 | N10 | C09 | H091 | 0.2° | 0.1° |
| N10 | C11 | C41 | H411 | 67.8° | 24.2° |
| N10 | C11 | C41 | H412 | 55.9° | 98.5° |
| C11 | O12 | C13 | C14 | 156.5° | 159.4° |
| C11 | O12 | C13 | C39 | 30.6° | 40.5° |
| O12 | C11 | C41 | C39 | 48.0° | 23.9° |
| O12 | C11 | N10 | C06 | 66.6° | 159.6° |
| O12 | C11 | C41 | H111 | 111.4° | 118.9° |
| C11 | O12 | C13 | H131 | 84.9° | 78.3° |
| O12 | C11 | C41 | H411 | 166.2° | 94.6° |
| O12 | C11 | C41 | H412 | 70.1° | 142.6° |
| O12 | C13 | C14 | O15 | 78.0° | 66.4° |
| O12 | C13 | C14 | C39 | 118.2° | 115.5° |
| O12 | C13 | C14 | H131 | 120.9° | 122.3° |
| O12 | C13 | C39 | H131 | 118.3° | 118.9° |
| O12 | C13 | C39 | O40 | 118.4° | 94.8° |
| O12 | C13 | C39 | C41 | 4.2° | 24.0° |
| C13 | O12 | C11 | C41 | 55.2° | 40.5° |
| C13 | O12 | C11 | H111 | 58.6° | 78.4° |
| O12 | C13 | C14 | H141 | 162.6° | 53.5° |
| O12 | C13 | C14 | H142 | 41.4° | 173.6° |
| O12 | C13 | C39 | H391 | 119.1° | 142.6° |
| C14 | O15 | P16 | O17 | 85.6° | 175.0° |
| C14 | O15 | P16 | O37 | 155.5° | 55.0° |
| C14 | O15 | P16 | O38 | 37.1° | 65.0° |
| O15 | C14 | C13 | H141 | 119.4° | 120.0° |
| O15 | C14 | C13 | H142 | 119.4° | 120.0° |
| O15 | C14 | C13 | C39 | 163.8° | 178.1° |
| O15 | C14 | C13 | H131 | 42.9° | 55.9° |
| O15 | C14 | H141 | H142 | 121.7° | 119.9° |
| O15 | P16 | O17 | C18 | 128.0° | 175.0° |
| O15 | P16 | O17 | O37 | 119.1° | 120.0° |
| O15 | P16 | O17 | O38 | 122.1° | 120.0° |
| O15 | P16 | O37 | O38 | 119.0° | 120.0° |
| P16 | O15 | C14 | C13 | 95.4° | 180.0° |
| P16 | O15 | C14 | H141 | 145.2° | 60.0° |
| P16 | O15 | C14 | H142 | 24.0° | 60.0° |
| O15 | P16 | O38 | H3 | 118.5° | 60.0° |
| O17 | C18 | C19 | C36 | 179.0° | 179.8° |
| O17 | C18 | C19 | C20 | 179.7° | 180.0° |
| O17 | C18 | C36 | C35 | 179.6° | 179.7° |
| C18 | O17 | P16 | O37 | 112.9° | 55.0° |
| C18 | O17 | P16 | O38 | 5.9° | 65.0° |
| O17 | C18 | C19 | H191 | 0.3° | 0.0° |
| O17 | C18 | C36 | H361 | 0.4° | 0.1° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.1° |
| C19 | C18 | C36 | C35 | 0.6° | 0.5° |
| C19 | C18 | O17 | P16 | 49.6° | 89.8° |
| C18 | C19 | C20 | H201 | 179.7° | 180.0° |
| C19 | C18 | C36 | H361 | 179.4° | 179.7° |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 179.6° | 180.0° |
| C19 | C20 | C21 | C35 | 0.2° | 0.1° |
| C20 | C19 | C18 | C36 | 0.7° | 0.3° |
| C20 | C21 | C22 | C23 | 104.5° | 90.0° |
| C20 | C21 | C22 | C35 | 179.4° | 179.9° |
| C20 | C21 | C35 | C36 | 0.3° | 0.2° |
| C21 | C20 | C19 | H191 | 179.7° | 179.9° |
| C20 | C21 | C22 | H222 | 16.2° | 150.1° |
| C20 | C21 | C22 | H221 | 134.9° | 30.0° |
| C20 | C21 | C35 | H351 | 179.7° | 180.0° |
| C22 | C23 | N24 | C25 | 83.6° | 155.0° |
| C22 | C23 | N24 | C32 | 124.3° | 120.0° |
| C22 | C23 | N24 | H231 | 116.7° | 120.0° |
| C22 | C23 | C32 | H231 | 117.5° | 120.0° |
| C22 | C23 | C32 | O33 | 57.2° | 120.0° |
| C22 | C23 | C32 | O34 | 122.8° | 60.0° |
| C23 | C22 | C21 | H222 | 120.7° | 120.0° |
| C23 | C22 | C21 | H221 | 120.7° | 120.0° |
| C23 | C22 | C21 | C35 | 76.1° | 89.9° |
| C23 | C22 | H222 | H221 | 117.9° | 120.0° |
| C22 | C23 | N24 | H241 | 96.4° | 25.0° |
| N24 | C25 | C26 | N27 | 35.4° | 164.8° |
| N24 | C25 | C26 | O31 | 179.3° | 179.9° |
| C25 | N24 | C23 | H241 | 180.0° | 180.0° |
| C25 | N24 | C23 | C32 | 152.1° | 85.0° |
| N24 | C25 | C26 | C30 | 81.2° | 80.0° |
| C25 | N24 | C23 | H231 | 33.1° | 35.0° |
| N24 | C25 | C26 | H261 | 159.8° | 42.3° |
| C26 | N27 | C28 | H271 | 119.1° | 119.5° |
| C26 | N27 | C28 | C29 | 39.6° | 39.5° |
| N27 | C26 | C30 | C29 | 27.6° | 23.9° |
| N27 | C26 | C25 | C30 | 116.6° | 115.1° |
| N27 | C26 | C25 | H261 | 124.4° | 122.5° |
| N27 | C26 | C25 | O31 | 143.9° | 15.1° |
| N27 | C26 | C30 | H261 | 118.8° | 118.9° |
| C26 | N27 | C28 | H282 | 79.8° | 158.3° |
| C26 | N27 | C28 | H281 | 159.1° | 79.4° |
| N27 | C26 | C30 | H302 | 146.8° | 95.0° |
| N27 | C26 | C30 | H301 | 91.6° | 142.8° |
| N27 | C28 | C29 | H282 | 119.4° | 118.8° |
| N27 | C28 | C29 | H281 | 119.5° | 118.8° |
| N27 | C28 | C29 | C30 | 19.8° | 23.9° |
| C28 | N27 | C26 | C25 | 159.3° | 158.2° |
| C28 | N27 | C26 | C30 | 38.0° | 39.5° |
| C28 | N27 | C26 | H261 | 78.1° | 79.4° |
| N27 | C28 | H282 | H281 | 121.6° | 122.4° |
| N27 | C28 | C29 | H292 | 139.2° | 142.7° |
| N27 | C28 | C29 | H291 | 99.7° | 95.1° |
| C28 | C29 | C30 | H292 | 119.5° | 118.9° |
| C28 | C29 | C30 | H291 | 119.5° | 118.9° |
| C28 | C29 | C30 | C26 | 1.7° | 0.0° |
| C29 | C28 | H282 | H281 | 121.6° | 122.4° |
| C28 | C29 | H292 | H291 | 121.6° | 122.1° |
| C28 | C29 | C30 | H302 | 120.9° | 118.9° |
| C28 | C29 | C30 | H301 | 117.5° | 118.9° |
| C29 | C28 | N27 | H271 | 158.7° | 159.0° |
| C29 | C30 | C26 | C25 | 149.5° | 142.6° |
| C29 | C30 | C26 | H302 | 119.2° | 118.9° |
| C29 | C30 | C26 | H301 | 119.2° | 118.9° |
| C29 | C30 | C26 | H261 | 91.2° | 95.1° |
| C30 | C29 | C28 | H282 | 99.7° | 142.7° |
| C30 | C29 | C28 | H281 | 139.2° | 95.0° |
| C30 | C29 | H292 | H291 | 121.5° | 122.3° |
| C29 | C30 | H302 | H301 | 122.3° | 122.2° |
| C26 | C25 | N24 | C23 | 179.7° | 179.9° |
| C25 | C26 | C30 | H261 | 119.3° | 122.3° |
| C25 | C26 | C30 | H302 | 91.3° | 23.7° |
| C25 | C26 | C30 | H301 | 30.3° | 98.5° |
| C26 | C25 | N24 | H241 | 0.3° | 0.0° |
| C25 | C26 | N27 | H271 | 81.6° | 82.2° |
| O31 | C25 | N24 | C23 | 0.4° | 0.0° |
| O31 | C25 | C26 | C30 | 99.6° | 100.0° |
| O31 | C25 | C26 | H261 | 19.5° | 137.6° |
| O31 | C25 | N24 | H241 | 179.6° | 179.9° |
| N24 | C23 | C32 | H231 | 119.2° | 120.0° |
| N24 | C23 | C32 | O33 | 179.5° | 0.0° |
| N24 | C23 | C32 | O34 | 0.5° | 180.0° |
| N24 | C23 | C22 | C21 | 36.0° | 65.0° |
| N24 | C23 | C22 | H222 | 84.7° | 55.0° |
| N24 | C23 | C22 | H221 | 156.7° | 175.0° |
| C23 | C32 | O33 | O34 | 180.0° | 180.0° |
| C32 | C23 | C22 | C21 | 89.3° | 175.0° |
| C32 | C23 | C22 | H222 | 150.0° | 65.1° |
| C32 | C23 | C22 | H221 | 31.3° | 55.0° |
| C32 | C23 | N24 | H241 | 27.9° | 95.0° |
| C23 | C32 | O34 | H2 | 180.0° | 180.0° |
| O33 | C32 | C23 | H231 | 60.2° | 120.0° |
| O33 | C32 | O34 | H2 | 0.0° | 0.0° |
| O34 | C32 | C23 | H231 | 119.7° | 60.0° |
| C22 | C21 | C35 | C36 | 179.7° | 179.7° |
| C22 | C21 | C20 | H201 | 0.4° | 0.1° |
| C21 | C22 | H222 | H221 | 117.9° | 120.0° |
| C21 | C22 | C23 | H231 | 153.1° | 55.0° |
| C22 | C21 | C35 | H351 | 0.3° | 0.1° |
| C21 | C35 | C36 | H351 | 180.0° | 179.8° |
| C21 | C35 | C36 | C18 | 0.1° | 0.5° |
| C35 | C21 | C20 | H201 | 179.8° | 180.0° |
| C35 | C21 | C22 | H222 | 163.2° | 30.0° |
| C35 | C21 | C22 | H221 | 44.6° | 150.1° |
| C21 | C35 | C36 | H361 | 179.9° | 179.7° |
| C35 | C36 | C18 | H361 | 180.0° | 179.8° |
| O17 | P16 | O37 | O38 | 120.2° | 120.0° |
| P16 | O17 | C18 | C36 | 131.4° | 90.0° |
| O17 | P16 | O38 | H3 | 118.5° | 60.0° |
| O37 | P16 | O38 | H3 | 0.0° | 180.0° |
| C14 | C13 | C39 | H131 | 121.1° | 122.2° |
| C14 | C13 | C39 | O40 | 2.2° | 24.1° |
| C14 | C13 | C39 | C41 | 124.8° | 142.9° |
| C13 | C14 | H141 | H142 | 121.7° | 120.1° |
| C14 | C13 | C39 | H391 | 120.3° | 98.5° |
| C13 | C39 | O40 | C41 | 118.3° | 114.7° |
| C13 | C39 | O40 | H391 | 121.1° | 122.6° |
| C13 | C39 | C41 | H391 | 114.4° | 118.6° |
| C13 | C39 | C41 | C11 | 30.2° | 0.1° |
| C39 | C13 | C14 | H141 | 44.4° | 61.9° |
| C39 | C13 | C14 | H142 | 76.8° | 58.1° |
| C13 | C39 | C41 | H411 | 148.3° | 118.6° |
| C13 | C39 | C41 | H412 | 88.0° | 118.7° |
| C13 | C39 | O40 | H401 | 180.0° | 180.0° |
| O40 | C39 | C41 | H391 | 121.6° | 122.7° |
| O40 | C39 | C41 | C11 | 154.2° | 118.6° |
| O40 | C39 | C13 | H131 | 123.3° | 146.3° |
| O40 | C39 | C41 | H411 | 87.7° | 0.1° |
| O40 | C39 | C41 | H412 | 36.0° | 122.6° |
| C39 | C41 | C11 | H411 | 118.1° | 118.6° |
| C39 | C41 | C11 | H412 | 118.1° | 118.7° |
| C39 | C41 | C11 | H111 | 63.3° | 95.0° |
| C41 | C39 | C13 | H131 | 114.1° | 94.9° |
| C39 | C41 | H411 | H412 | 125.2° | 122.7° |
| C41 | C39 | O40 | H401 | 61.7° | 65.3° |
| C02 | C07 | C06 | N10 | 179.8° | 179.8° |
| C07 | C02 | N01 | H012 | 180.0° | 0.1° |
| C07 | C02 | N01 | H011 | 60.0° | 180.0° |
| C06 | N10 | C11 | C41 | 172.2° | 84.9° |
| C06 | N10 | C09 | H091 | 179.6° | 179.9° |
| C06 | N10 | C11 | H111 | 48.5° | 37.3° |
| C11 | C41 | C39 | H391 | 84.2° | 118.7° |
| C11 | C41 | H411 | H412 | 125.2° | 122.7° |
| C36 | C18 | C19 | H191 | 179.3° | 179.7° |
| C18 | C36 | C35 | H351 | 179.9° | 179.7° |
| C26 | C30 | C29 | H292 | 117.8° | 118.9° |
| C26 | C30 | C29 | H291 | 121.1° | 118.9° |
| C26 | C30 | H302 | H301 | 122.3° | 122.2° |
| C30 | C26 | N27 | H271 | 157.1° | 159.0° |
| H111 | C11 | C41 | H411 | 54.8° | 146.4° |
| H111 | C11 | C41 | H412 | 178.5° | 23.7° |
| H131 | C13 | C14 | H141 | 76.5° | 175.8° |
| H131 | C13 | C14 | H142 | 162.3° | 64.1° |
| H131 | C13 | C39 | H391 | 0.8° | 23.7° |
| H191 | C19 | C20 | H201 | 0.3° | 0.0° |
| H222 | C22 | C23 | H231 | 32.4° | 175.0° |
| H221 | C22 | C23 | H231 | 86.3° | 65.0° |
| H231 | C23 | N24 | H241 | 146.9° | 145.0° |
| H261 | C26 | C30 | H302 | 28.0° | 146.0° |
| H261 | C26 | C30 | H301 | 149.6° | 23.9° |
| H261 | C26 | N27 | H271 | 40.9° | 40.2° |
| H282 | C28 | C29 | H292 | 19.8° | 98.4° |
| H282 | C28 | C29 | H291 | 140.9° | 23.7° |
| H282 | C28 | N27 | H271 | 39.3° | 82.2° |
| H281 | C28 | C29 | H292 | 101.3° | 23.9° |
| H281 | C28 | C29 | H291 | 19.7° | 146.1° |
| H281 | C28 | N27 | H271 | 81.9° | 40.2° |
| H292 | C29 | C30 | H302 | 1.4° | 122.2° |
| H292 | C29 | C30 | H301 | 123.0° | 0.0° |
| H291 | C29 | C30 | H302 | 119.7° | 0.0° |
| H291 | C29 | C30 | H301 | 1.9° | 122.2° |
| H351 | C35 | C36 | H361 | 0.1° | 0.1° |
| H391 | C39 | C41 | H411 | 34.0° | 122.8° |
| H391 | C39 | C41 | H412 | 157.7° | 0.0° |
| H391 | C39 | O40 | H401 | 58.9° | 57.4° |
