2QR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | P34 | doub | 1.48Å | 1.56Å | |
| O48 | C47 | doub | 1.22Å | 1.25Å | |
| O36 | P34 | sing | 1.61Å | 1.53Å | |
| P34 | O35 | sing | 1.61Å | 1.49Å | |
| P34 | O33 | sing | 1.61Å | 1.56Å | |
| C47 | C44 | sing | 1.42Å | 1.49Å | |
| C47 | N46 | sing | 1.35Å | 1.45Å | |
| C44 | C43 | doub | 1.35Å | 1.49Å | |
| O33 | C32 | sing | 1.43Å | 1.39Å | |
| N46 | C45 | sing | 1.35Å | 1.47Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| O12 | P11 | doub | 1.48Å | 1.52Å | |
| O38 | P11 | sing | 1.61Å | 1.49Å | |
| C43 | N42 | sing | 1.37Å | 1.46Å | |
| O17 | C18 | sing | 1.43Å | 1.46Å | |
| O17 | C14 | sing | 1.43Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C45 | N42 | sing | 1.35Å | 1.47Å | |
| C45 | O49 | doub | 1.22Å | 1.25Å | |
| C31 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C31 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| P11 | O13 | sing | 1.61Å | 1.54Å | |
| P11 | O10 | sing | 1.61Å | 1.53Å | |
| C30 | N29 | sing | 1.32Å | 1.37Å | Aromatic |
| N42 | C41 | sing | 1.46Å | 1.41Å | |
| C14 | O13 | sing | 1.43Å | 1.33Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | N22 | sing | 1.47Å | 1.30Å | |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | N22 | sing | 1.47Å | 1.45Å | |
| C19 | C20 | sing | 1.53Å | 1.46Å | |
| O10 | P08 | sing | 1.61Å | 1.61Å | |
| N29 | C27 | doub | 1.32Å | 1.37Å | Aromatic |
| C41 | C02 | sing | 1.55Å | 1.49Å | |
| C41 | O40 | sing | 1.44Å | 1.41Å | |
| C03 | C02 | sing | 1.55Å | 1.43Å | |
| C03 | C05 | sing | 1.54Å | 1.46Å | |
| C03 | O04 | sing | 1.43Å | 1.41Å | |
| C02 | O01 | sing | 1.43Å | 1.39Å | |
| C06 | C05 | sing | 1.53Å | 1.49Å | |
| C06 | O07 | sing | 1.43Å | 1.43Å | |
| C15 | C20 | sing | 1.53Å | 1.46Å | |
| C15 | O16 | sing | 1.43Å | 1.40Å | |
| O40 | C05 | sing | 1.44Å | 1.43Å | |
| C20 | O21 | sing | 1.43Å | 1.42Å | |
| C25 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.36Å | |
| C27 | C28 | sing | 1.51Å | 1.48Å | |
| O07 | P08 | sing | 1.61Å | 1.59Å | |
| P08 | O39 | doub | 1.48Å | 1.57Å | |
| P08 | O09 | sing | 1.61Å | 1.52Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| O16 | H161 | sing | 0.97Å | 0.95Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| N22 | H2 | sing | 1.01Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| O35 | H5 | sing | 0.97Å | 0.95Å | |
| O36 | H6 | sing | 0.97Å | 0.95Å | |
| O38 | H7 | sing | 0.97Å | 0.95Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| N46 | H461 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | P34 | O36 | 110.4° | 109.5° |
| O37 | P34 | O35 | 110.7° | 109.5° |
| O37 | P34 | O33 | 108.3° | 109.5° |
| O48 | C47 | C44 | 120.8° | 120.2° |
| O48 | C47 | N46 | 121.4° | 120.4° |
| O36 | P34 | O35 | 110.6° | 109.5° |
| O36 | P34 | O33 | 109.1° | 109.4° |
| P34 | O36 | H6 | 109.5° | 114.0° |
| O35 | P34 | O33 | 107.7° | 109.5° |
| P34 | O35 | H5 | 109.5° | 113.9° |
| P34 | O33 | C32 | 116.7° | 123.0° |
| C44 | C47 | N46 | 117.8° | 119.4° |
| C47 | C44 | C43 | 119.8° | 119.1° |
| C47 | C44 | H441 | 120.1° | 120.5° |
| C47 | N46 | C45 | 124.2° | 120.3° |
| C47 | N46 | H461 | 117.9° | 119.9° |
| C44 | C43 | N42 | 119.4° | 119.7° |
| C44 | C43 | H431 | 120.3° | 120.1° |
| C43 | C44 | H441 | 120.1° | 120.4° |
| O33 | C32 | C31 | 115.1° | 109.5° |
| O33 | C32 | H322 | 108.1° | 109.5° |
| O33 | C32 | H321 | 108.1° | 109.5° |
| N46 | C45 | N42 | 116.6° | 120.9° |
| N46 | C45 | O49 | 120.1° | 119.5° |
| C45 | N46 | H461 | 117.9° | 119.9° |
| C32 | C31 | C30 | 121.2° | 120.4° |
| C32 | C31 | C24 | 118.9° | 120.4° |
| C31 | C32 | H322 | 108.0° | 109.5° |
| C31 | C32 | H321 | 108.1° | 109.5° |
| O12 | P11 | O38 | 108.6° | 109.5° |
| O12 | P11 | O13 | 110.4° | 109.5° |
| O12 | P11 | O10 | 108.0° | 109.4° |
| O38 | P11 | O13 | 108.4° | 109.5° |
| O38 | P11 | O10 | 108.4° | 109.5° |
| P11 | O38 | H7 | 109.5° | 114.0° |
| C43 | N42 | C45 | 122.1° | 120.6° |
| C43 | N42 | C41 | 118.2° | 119.7° |
| N42 | C43 | H431 | 120.3° | 120.2° |
| C18 | O17 | C14 | 113.4° | 114.1° |
| O17 | C18 | C19 | 114.7° | 109.4° |
| O17 | C18 | H182 | 108.2° | 109.5° |
| O17 | C18 | H181 | 108.2° | 109.5° |
| O17 | C14 | O13 | 109.2° | 109.4° |
| O17 | C14 | C15 | 109.8° | 109.4° |
| O17 | C14 | H141 | 109.0° | 109.5° |
| C18 | C19 | N22 | 107.6° | 109.5° |
| C18 | C19 | C20 | 115.1° | 109.2° |
| C19 | C18 | H182 | 108.1° | 109.4° |
| C19 | C18 | H181 | 108.1° | 109.5° |
| C18 | C19 | H191 | 108.2° | 109.5° |
| N42 | C45 | O49 | 123.3° | 119.6° |
| C45 | N42 | C41 | 119.7° | 119.7° |
| C30 | C31 | C24 | 119.9° | 119.2° |
| C31 | C30 | N29 | 118.4° | 120.9° |
| C31 | C30 | H301 | 120.8° | 119.5° |
| C31 | C24 | C23 | 121.3° | 120.8° |
| C31 | C24 | C25 | 120.4° | 118.4° |
| O13 | P11 | O10 | 112.9° | 109.5° |
| P11 | O13 | C14 | 122.2° | 123.0° |
| P11 | O10 | P08 | 125.0° | 134.0° |
| C30 | N29 | C27 | 122.5° | 121.7° |
| N29 | C30 | H301 | 120.8° | 119.6° |
| N42 | C41 | C02 | 109.8° | 110.6° |
| N42 | C41 | O40 | 113.3° | 110.7° |
| N42 | C41 | H411 | 109.8° | 110.6° |
| O13 | C14 | C15 | 109.3° | 109.5° |
| O13 | C14 | H141 | 111.0° | 109.5° |
| C14 | C15 | C20 | 109.9° | 109.2° |
| C14 | C15 | O16 | 110.3° | 109.6° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C14 | C15 | H151 | 108.5° | 109.5° |
| C24 | C23 | N22 | 123.0° | 109.5° |
| C23 | C24 | C25 | 118.2° | 120.8° |
| C24 | C23 | H231 | 106.0° | 109.5° |
| C24 | C23 | H4 | 106.0° | 109.5° |
| C23 | N22 | C19 | 114.8° | 111.0° |
| C23 | N22 | H2 | 108.1° | 111.0° |
| N22 | C23 | H231 | 106.0° | 109.4° |
| N22 | C23 | H4 | 106.0° | 109.5° |
| C24 | C25 | C27 | 118.9° | 119.0° |
| C24 | C25 | O26 | 119.2° | 120.5° |
| N22 | C19 | C20 | 108.1° | 109.5° |
| N22 | C19 | H191 | 109.0° | 109.5° |
| C19 | N22 | H2 | 108.2° | 111.0° |
| C19 | C20 | C15 | 110.8° | 109.0° |
| C19 | C20 | O21 | 109.3° | 109.5° |
| C20 | C19 | H191 | 108.8° | 109.6° |
| C19 | C20 | H201 | 109.0° | 109.5° |
| O10 | P08 | O07 | 107.0° | 109.5° |
| O10 | P08 | O39 | 112.9° | 109.5° |
| O10 | P08 | O09 | 109.7° | 109.4° |
| N29 | C27 | C25 | 119.9° | 120.7° |
| N29 | C27 | C28 | 121.8° | 119.6° |
| C02 | C41 | O40 | 105.2° | 103.5° |
| C41 | C02 | C03 | 105.8° | 102.1° |
| C41 | C02 | O01 | 109.5° | 110.9° |
| C41 | C02 | H021 | 109.7° | 110.9° |
| C02 | C41 | H411 | 108.7° | 110.6° |
| C41 | O40 | C05 | 108.9° | 107.0° |
| O40 | C41 | H411 | 109.9° | 110.6° |
| C02 | C03 | C05 | 103.1° | 104.2° |
| C02 | C03 | O04 | 109.7° | 110.4° |
| C03 | C02 | O01 | 109.9° | 110.9° |
| C03 | C02 | H021 | 110.6° | 110.9° |
| C02 | C03 | H031 | 111.0° | 110.5° |
| C05 | C03 | O04 | 110.8° | 110.5° |
| C03 | C05 | C06 | 113.4° | 109.9° |
| C03 | C05 | O40 | 106.8° | 107.3° |
| C05 | C03 | H031 | 110.6° | 110.5° |
| C03 | C05 | H051 | 108.9° | 109.9° |
| O04 | C03 | H031 | 111.3° | 110.6° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O01 | C02 | H021 | 111.2° | 110.8° |
| C05 | C06 | O07 | 113.6° | 109.5° |
| C06 | C05 | O40 | 109.8° | 110.0° |
| C06 | C05 | H051 | 108.5° | 109.9° |
| C05 | C06 | H061 | 108.4° | 109.5° |
| C05 | C06 | H062 | 108.4° | 109.5° |
| C06 | O07 | P08 | 121.2° | 123.0° |
| O07 | C06 | H061 | 108.4° | 109.4° |
| O07 | C06 | H062 | 108.4° | 109.5° |
| C20 | C15 | O16 | 109.1° | 109.6° |
| C15 | C20 | O21 | 109.0° | 109.5° |
| C20 | C15 | H151 | 109.1° | 109.5° |
| C15 | C20 | H201 | 109.1° | 109.5° |
| O16 | C15 | H151 | 109.9° | 109.5° |
| C15 | O16 | H161 | 109.5° | 114.0° |
| O40 | C05 | H051 | 109.4° | 109.9° |
| O21 | C20 | H201 | 109.6° | 109.7° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C27 | C25 | O26 | 122.0° | 120.5° |
| C25 | C27 | C28 | 118.3° | 119.7° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.5° |
| O07 | P08 | O39 | 110.5° | 109.5° |
| O07 | P08 | O09 | 108.8° | 109.4° |
| O39 | P08 | O09 | 107.9° | 109.5° |
| P08 | O09 | H1 | 109.5° | 114.1° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.4° | 109.5° |
| H231 | C23 | H4 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | P34 | O36 | O35 | 122.9° | 120.1° |
| O37 | P34 | O36 | O33 | 118.8° | 120.0° |
| O37 | P34 | O35 | O33 | 118.2° | 120.0° |
| O37 | P34 | O33 | C32 | 65.9° | 55.0° |
| O37 | P34 | O35 | H5 | 0.0° | 59.9° |
| O37 | P34 | O36 | H6 | 0.0° | 180.0° |
| O48 | C47 | C44 | N46 | 180.0° | 179.8° |
| O48 | C47 | C44 | C43 | 180.0° | 180.0° |
| O48 | C47 | N46 | C45 | 179.9° | 179.9° |
| O48 | C47 | C44 | H441 | 0.0° | 0.0° |
| O48 | C47 | N46 | H461 | 0.1° | 0.1° |
| O36 | P34 | O35 | O33 | 119.1° | 119.9° |
| O36 | P34 | O33 | C32 | 173.9° | 65.0° |
| O36 | P34 | O35 | H5 | 122.7° | 60.1° |
| O35 | P34 | O33 | C32 | 53.9° | 175.0° |
| O35 | P34 | O36 | H6 | 122.9° | 59.9° |
| P34 | O33 | C32 | C31 | 163.3° | 180.0° |
| P34 | O33 | C32 | H322 | 42.5° | 60.0° |
| P34 | O33 | C32 | H321 | 75.8° | 60.0° |
| O33 | P34 | O35 | H5 | 118.2° | 179.9° |
| O33 | P34 | O36 | H6 | 118.8° | 60.0° |
| C47 | C44 | C43 | H441 | 180.0° | 180.0° |
| C44 | C47 | N46 | C45 | 0.1° | 0.2° |
| C47 | C44 | C43 | N42 | 0.0° | 0.1° |
| C47 | C44 | C43 | H431 | 180.0° | 180.0° |
| C44 | C47 | N46 | H461 | 179.9° | 179.7° |
| N46 | C47 | C44 | C43 | 0.0° | 0.2° |
| C47 | N46 | C45 | H461 | 180.0° | 180.0° |
| C47 | N46 | C45 | N42 | 0.1° | 0.0° |
| C47 | N46 | C45 | O49 | 180.0° | 179.9° |
| N46 | C47 | C44 | H441 | 180.0° | 179.8° |
| C44 | C43 | N42 | H431 | 180.0° | 179.9° |
| C44 | C43 | N42 | C45 | 0.0° | 0.3° |
| C44 | C43 | N42 | C41 | 180.0° | 180.0° |
| O33 | C32 | C31 | H322 | 120.8° | 120.0° |
| O33 | C32 | C31 | H321 | 120.8° | 120.0° |
| O33 | C32 | C31 | C30 | 92.8° | 0.0° |
| O33 | C32 | C31 | C24 | 87.2° | 179.5° |
| O33 | C32 | H322 | H321 | 117.5° | 120.0° |
| N46 | C45 | N42 | C43 | 0.1° | 0.3° |
| N46 | C45 | N42 | O49 | 179.9° | 179.9° |
| N46 | C45 | N42 | C41 | 180.0° | 180.0° |
| C32 | C31 | C30 | C24 | 180.0° | 179.5° |
| C32 | C31 | C30 | N29 | 179.9° | 180.0° |
| C32 | C31 | C24 | C23 | 1.4° | 0.3° |
| C32 | C31 | C24 | C25 | 179.4° | 180.0° |
| C32 | C31 | C30 | H301 | 0.1° | 0.2° |
| C31 | C32 | H322 | H321 | 117.5° | 120.0° |
| O12 | P11 | O38 | O13 | 119.9° | 120.0° |
| O12 | P11 | O38 | O10 | 117.2° | 120.0° |
| O12 | P11 | O13 | O10 | 121.1° | 120.0° |
| O12 | P11 | O13 | C14 | 16.4° | 55.0° |
| O12 | P11 | O10 | P08 | 153.1° | 40.0° |
| O12 | P11 | O38 | H7 | 0.0° | 180.0° |
| O38 | P11 | O13 | O10 | 120.1° | 120.0° |
| O38 | P11 | O13 | C14 | 135.3° | 65.0° |
| O38 | P11 | O10 | P08 | 89.4° | 80.0° |
| C43 | N42 | C45 | C41 | 180.0° | 179.7° |
| C43 | N42 | C45 | O49 | 180.0° | 179.7° |
| C43 | N42 | C41 | C02 | 89.5° | 115.0° |
| C43 | N42 | C41 | O40 | 27.8° | 130.9° |
| C43 | N42 | C41 | H411 | 151.1° | 8.0° |
| N42 | C43 | C44 | H441 | 180.0° | 180.0° |
| O17 | C18 | C19 | H182 | 120.8° | 120.0° |
| O17 | C18 | C19 | H181 | 120.8° | 120.0° |
| C18 | O17 | C14 | O13 | 65.5° | 178.9° |
| C18 | O17 | C14 | C15 | 54.3° | 61.2° |
| O17 | C18 | C19 | N22 | 81.7° | 177.5° |
| O17 | C18 | C19 | C20 | 38.8° | 57.6° |
| C18 | O17 | C14 | H141 | 173.1° | 58.8° |
| O17 | C18 | H182 | H181 | 117.6° | 120.1° |
| O17 | C18 | C19 | H191 | 160.7° | 62.4° |
| C14 | O17 | C18 | C19 | 42.3° | 61.2° |
| O17 | C14 | O13 | P11 | 98.9° | 90.1° |
| O17 | C14 | O13 | C15 | 120.1° | 119.9° |
| O17 | C14 | O13 | H141 | 120.2° | 120.0° |
| O17 | C14 | C15 | H141 | 119.1° | 120.0° |
| O17 | C14 | C15 | C20 | 63.4° | 57.7° |
| O17 | C14 | C15 | O16 | 176.2° | 62.3° |
| O17 | C14 | C15 | H151 | 55.8° | 177.5° |
| C14 | O17 | C18 | H182 | 163.1° | 58.8° |
| C14 | O17 | C18 | H181 | 78.5° | 178.9° |
| C18 | C19 | N22 | C23 | 83.0° | 85.0° |
| C18 | C19 | N22 | C20 | 124.9° | 119.7° |
| C18 | C19 | N22 | H191 | 117.1° | 120.1° |
| C18 | C19 | C20 | H191 | 121.5° | 119.9° |
| C18 | C19 | C20 | C15 | 47.4° | 57.0° |
| C18 | C19 | C20 | O21 | 167.5° | 62.9° |
| C19 | C18 | H182 | H181 | 117.6° | 120.0° |
| C18 | C19 | C20 | H201 | 72.7° | 176.8° |
| C18 | C19 | N22 | H2 | 37.8° | 39.0° |
| C45 | N42 | C41 | C02 | 90.4° | 65.3° |
| C45 | N42 | C41 | O40 | 152.2° | 48.8° |
| C45 | N42 | C41 | H411 | 29.0° | 171.7° |
| C45 | N42 | C43 | H431 | 180.0° | 179.8° |
| N42 | C45 | N46 | H461 | 179.9° | 180.0° |
| O49 | C45 | N42 | C41 | 0.1° | 0.1° |
| O49 | C45 | N46 | H461 | 0.0° | 0.1° |
| C31 | C30 | N29 | H301 | 180.0° | 179.8° |
| C30 | C31 | C24 | C23 | 178.6° | 179.8° |
| C30 | C31 | C24 | C25 | 0.6° | 0.5° |
| C31 | C30 | N29 | C27 | 0.3° | 0.2° |
| C30 | C31 | C32 | H322 | 146.4° | 120.0° |
| C30 | C31 | C32 | H321 | 28.0° | 120.1° |
| C24 | C31 | C30 | N29 | 0.1° | 0.5° |
| C31 | C24 | C23 | C25 | 178.1° | 179.7° |
| C31 | C24 | C23 | N22 | 122.1° | 90.3° |
| C31 | C24 | C25 | C27 | 1.0° | 0.3° |
| C31 | C24 | C25 | O26 | 179.7° | 179.8° |
| C31 | C24 | C23 | H231 | 116.0° | 149.8° |
| C31 | C24 | C23 | H4 | 0.3° | 29.7° |
| C24 | C31 | C30 | H301 | 179.9° | 179.7° |
| C24 | C31 | C32 | H322 | 33.6° | 60.5° |
| C24 | C31 | C32 | H321 | 151.9° | 59.5° |
| P11 | O13 | C14 | C15 | 141.0° | 150.0° |
| O13 | P11 | O10 | P08 | 30.7° | 160.0° |
| P11 | O13 | C14 | H141 | 21.3° | 29.9° |
| O13 | P11 | O38 | H7 | 119.9° | 60.0° |
| O10 | P11 | O13 | C14 | 104.6° | 175.0° |
| P11 | O10 | P08 | O07 | 87.7° | 165.0° |
| P11 | O10 | P08 | O39 | 34.1° | 45.0° |
| P11 | O10 | P08 | O09 | 154.5° | 75.0° |
| O10 | P11 | O38 | H7 | 117.2° | 60.0° |
| C30 | N29 | C27 | C25 | 0.1° | 0.0° |
| C30 | N29 | C27 | C28 | 179.9° | 180.0° |
| N42 | C41 | C02 | O40 | 122.3° | 118.6° |
| N42 | C41 | C02 | H411 | 120.1° | 123.0° |
| N42 | C41 | O40 | H411 | 123.2° | 123.0° |
| N42 | C41 | C02 | C03 | 99.2° | 155.5° |
| N42 | C41 | C02 | O01 | 142.4° | 86.2° |
| N42 | C41 | O40 | C05 | 115.4° | 158.5° |
| N42 | C41 | C02 | H021 | 20.2° | 37.3° |
| C41 | N42 | C43 | H431 | 0.0° | 0.1° |
| O13 | C14 | C15 | H141 | 121.2° | 120.1° |
| O13 | C14 | C15 | C20 | 56.4° | 177.6° |
| O13 | C14 | C15 | O16 | 64.0° | 57.6° |
| O13 | C14 | C15 | H151 | 175.5° | 62.6° |
| C14 | C15 | C20 | C19 | 59.5° | 57.0° |
| C14 | C15 | C20 | O16 | 121.0° | 120.0° |
| C14 | C15 | C20 | H151 | 118.9° | 119.9° |
| C14 | C15 | O16 | H151 | 119.6° | 120.1° |
| C14 | C15 | C20 | O21 | 179.8° | 62.8° |
| C14 | C15 | O16 | H161 | 60.3° | 59.9° |
| C14 | C15 | C20 | H201 | 60.5° | 176.9° |
| C24 | C23 | N22 | H231 | 121.9° | 120.0° |
| C24 | C23 | N22 | H4 | 121.9° | 120.0° |
| C24 | C23 | N22 | C19 | 170.6° | 180.0° |
| C23 | C24 | C25 | C27 | 179.1° | 180.0° |
| C23 | C24 | C25 | O26 | 1.6° | 0.0° |
| C24 | C23 | N22 | H2 | 68.6° | 56.0° |
| C24 | C23 | H231 | H4 | 113.9° | 120.0° |
| N22 | C23 | C24 | C25 | 59.8° | 90.0° |
| C23 | N22 | C19 | H2 | 120.8° | 123.9° |
| C23 | N22 | C19 | C20 | 152.2° | 155.3° |
| C23 | N22 | C19 | H191 | 34.1° | 35.1° |
| N22 | C23 | H231 | H4 | 113.9° | 120.0° |
| C24 | C25 | C27 | N29 | 0.8° | 0.1° |
| C24 | C25 | C27 | O26 | 179.3° | 180.0° |
| C24 | C25 | C27 | C28 | 179.4° | 180.0° |
| C25 | C24 | C23 | H231 | 62.0° | 30.0° |
| C25 | C24 | C23 | H4 | 178.3° | 150.0° |
| C24 | C25 | O26 | H261 | 180.0° | 90.0° |
| N22 | C19 | C20 | H191 | 118.2° | 120.2° |
| N22 | C19 | C20 | C15 | 72.9° | 176.9° |
| N22 | C19 | C20 | O21 | 47.2° | 57.0° |
| N22 | C19 | C18 | H182 | 39.1° | 57.5° |
| N22 | C19 | C18 | H181 | 157.5° | 62.5° |
| N22 | C19 | C20 | H201 | 167.0° | 63.3° |
| C19 | N22 | C23 | H231 | 48.8° | 60.0° |
| C19 | N22 | C23 | H4 | 67.5° | 60.0° |
| C19 | C20 | C15 | O21 | 120.3° | 119.8° |
| C19 | C20 | C15 | H201 | 120.0° | 119.8° |
| C19 | C20 | C15 | O16 | 179.4° | 63.0° |
| C19 | C20 | O21 | H201 | 119.4° | 120.2° |
| C19 | C20 | C15 | H151 | 59.4° | 176.9° |
| C20 | C19 | C18 | H182 | 159.6° | 62.4° |
| C20 | C19 | C18 | H181 | 81.9° | 177.6° |
| C19 | C20 | O21 | H211 | 180.0° | 179.6° |
| C20 | C19 | N22 | H2 | 87.0° | 80.7° |
| O10 | P08 | O07 | C06 | 46.0° | 175.0° |
| O10 | P08 | O07 | O39 | 123.3° | 120.0° |
| O10 | P08 | O07 | O09 | 118.4° | 119.9° |
| O10 | P08 | O39 | O09 | 121.4° | 120.0° |
| O10 | P08 | O09 | H1 | 123.4° | 60.0° |
| N29 | C27 | C25 | C28 | 179.8° | 179.9° |
| N29 | C27 | C25 | O26 | 180.0° | 180.0° |
| N29 | C27 | C28 | H282 | 0.0° | 90.0° |
| N29 | C27 | C28 | H281 | 120.0° | 30.1° |
| N29 | C27 | C28 | H283 | 120.0° | 150.0° |
| C27 | N29 | C30 | H301 | 179.7° | 180.0° |
| C02 | C41 | O40 | H411 | 116.8° | 118.5° |
| C41 | C02 | C03 | O01 | 118.1° | 118.2° |
| C41 | C02 | C03 | H021 | 118.7° | 118.2° |
| C41 | C02 | C03 | C05 | 31.6° | 20.8° |
| C41 | C02 | C03 | O04 | 149.7° | 97.8° |
| C41 | C02 | O01 | H021 | 121.4° | 123.6° |
| C02 | C41 | O40 | C05 | 4.6° | 40.0° |
| C41 | C02 | O01 | H011 | 180.0° | 177.1° |
| C41 | C02 | C03 | H031 | 86.8° | 139.5° |
| O40 | C41 | C02 | C03 | 23.1° | 36.9° |
| C41 | O40 | C05 | C03 | 15.1° | 26.5° |
| O40 | C41 | C02 | O01 | 95.3° | 155.2° |
| C41 | O40 | C05 | C06 | 138.4° | 145.9° |
| O40 | C41 | C02 | H021 | 142.4° | 81.3° |
| C41 | O40 | C05 | H051 | 102.6° | 93.0° |
| C02 | C03 | C05 | O04 | 117.3° | 118.6° |
| C02 | C03 | C05 | H031 | 118.8° | 118.7° |
| C02 | C03 | O04 | H031 | 123.3° | 122.6° |
| C03 | C02 | O01 | H021 | 122.8° | 123.6° |
| C02 | C03 | C05 | C06 | 150.2° | 121.6° |
| C02 | C03 | C05 | O40 | 29.1° | 2.0° |
| C03 | C02 | O01 | H011 | 64.2° | 64.3° |
| C02 | C03 | O04 | H041 | 180.0° | 61.5° |
| C02 | C03 | C05 | H051 | 88.9° | 117.4° |
| C03 | C02 | C41 | H411 | 140.7° | 81.5° |
| C05 | C03 | O04 | H031 | 123.5° | 122.7° |
| C05 | C03 | C02 | O01 | 86.5° | 139.1° |
| C03 | C05 | C06 | O40 | 119.3° | 117.9° |
| C03 | C05 | C06 | H051 | 121.1° | 121.0° |
| C03 | C05 | C06 | O07 | 171.3° | 175.0° |
| C03 | C05 | O40 | H051 | 117.7° | 119.4° |
| C05 | C03 | C02 | H021 | 150.3° | 97.4° |
| C05 | C03 | O04 | H041 | 66.8° | 176.2° |
| C03 | C05 | C06 | H061 | 50.7° | 55.0° |
| C03 | C05 | C06 | H062 | 68.1° | 65.0° |
| O04 | C03 | C02 | O01 | 31.5° | 20.4° |
| O04 | C03 | C05 | C06 | 92.5° | 119.8° |
| O04 | C03 | C05 | O40 | 146.4° | 120.7° |
| O04 | C03 | C02 | H021 | 91.6° | 144.0° |
| O04 | C03 | C05 | H051 | 28.4° | 1.2° |
| O01 | C02 | C03 | H031 | 155.0° | 102.2° |
| O01 | C02 | C41 | H411 | 22.3° | 36.8° |
| C05 | C06 | O07 | H061 | 120.6° | 120.0° |
| C05 | C06 | O07 | H062 | 120.6° | 120.0° |
| C06 | C05 | O40 | H051 | 119.0° | 121.1° |
| C05 | C06 | O07 | P08 | 153.4° | 180.0° |
| C06 | C05 | C03 | H031 | 31.4° | 2.9° |
| C05 | C06 | H061 | H062 | 118.1° | 120.1° |
| O07 | C06 | C05 | O40 | 69.4° | 67.1° |
| C06 | O07 | P08 | O39 | 169.3° | 55.0° |
| C06 | O07 | P08 | O09 | 72.5° | 65.0° |
| O07 | C06 | C05 | H051 | 50.2° | 54.0° |
| O07 | C06 | H061 | H062 | 118.1° | 119.9° |
| C20 | C15 | O16 | H151 | 119.6° | 120.1° |
| C15 | C20 | O21 | H201 | 119.4° | 120.2° |
| C20 | C15 | C14 | H141 | 177.5° | 62.3° |
| C20 | C15 | O16 | H161 | 60.5° | 179.6° |
| C15 | C20 | C19 | H191 | 168.9° | 63.0° |
| C15 | C20 | O21 | H211 | 58.8° | 60.1° |
| O16 | C15 | C20 | O21 | 59.2° | 177.2° |
| O16 | C15 | C14 | H141 | 57.2° | 177.7° |
| O16 | C15 | C20 | H201 | 60.5° | 56.9° |
| O40 | C05 | C03 | H031 | 89.7° | 116.7° |
| O40 | C05 | C06 | H061 | 170.0° | 172.9° |
| O40 | C05 | C06 | H062 | 51.2° | 52.9° |
| C05 | O40 | C41 | H411 | 121.4° | 78.5° |
| O21 | C20 | C15 | H151 | 60.9° | 57.0° |
| O21 | C20 | C19 | H191 | 70.9° | 177.2° |
| C27 | C25 | O26 | H261 | 0.7° | 90.0° |
| C25 | C27 | C28 | H282 | 179.8° | 89.9° |
| C25 | C27 | C28 | H281 | 59.8° | 150.0° |
| C25 | C27 | C28 | H283 | 60.2° | 30.1° |
| O26 | C25 | C27 | C28 | 0.2° | 0.1° |
| C27 | C28 | H282 | H281 | 120.0° | 120.1° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| O07 | P08 | O39 | O09 | 118.8° | 120.0° |
| P08 | O07 | C06 | H061 | 32.7° | 60.0° |
| P08 | O07 | C06 | H062 | 86.0° | 60.0° |
| O07 | P08 | O09 | H1 | 119.9° | 60.0° |
| O39 | P08 | O09 | H1 | 0.0° | 180.0° |
| H011 | O01 | C02 | H021 | 58.6° | 59.3° |
| H021 | C02 | C03 | H031 | 31.9° | 21.3° |
| H021 | C02 | C41 | H411 | 99.9° | 160.3° |
| H031 | C03 | O04 | H041 | 56.7° | 61.1° |
| H031 | C03 | C05 | H051 | 152.3° | 123.9° |
| H051 | C05 | C06 | H061 | 70.5° | 66.0° |
| H051 | C05 | C06 | H062 | 170.8° | 174.0° |
| H141 | C14 | C15 | H151 | 63.3° | 57.5° |
| H151 | C15 | O16 | H161 | 179.9° | 60.3° |
| H151 | C15 | C20 | H201 | 179.4° | 63.3° |
| H182 | C18 | C19 | H191 | 78.5° | 177.7° |
| H181 | C18 | C19 | H191 | 39.9° | 57.6° |
| H191 | C19 | C20 | H201 | 48.9° | 56.9° |
| H191 | C19 | N22 | H2 | 154.9° | 159.1° |
| H201 | C20 | O21 | H211 | 60.6° | 60.1° |
| H2 | N22 | C23 | H231 | 169.6° | 64.0° |
| H2 | N22 | C23 | H4 | 53.3° | 176.0° |
| H282 | C28 | H281 | H283 | 120.0° | 120.0° |
| H431 | C43 | C44 | H441 | 0.0° | 0.0° |
