6IM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | P29 | doub | 1.48Å | 1.52Å | |
| O30 | P29 | sing | 1.61Å | 1.50Å | |
| O27 | C14 | sing | 1.43Å | 1.35Å | |
| P29 | O28 | sing | 1.61Å | 1.62Å | |
| P29 | O32 | sing | 1.61Å | 1.51Å | |
| O28 | C13 | sing | 1.43Å | 1.48Å | |
| C14 | C13 | sing | 1.55Å | 1.53Å | |
| C14 | C15 | sing | 1.55Å | 1.56Å | |
| C13 | C12 | sing | 1.54Å | 1.30Å | |
| C18 | N19 | doub | 1.30Å | 1.32Å | Aromatic |
| C18 | N17 | sing | 1.36Å | 1.31Å | Aromatic |
| C15 | N17 | sing | 1.47Å | 1.47Å | |
| C15 | O16 | sing | 1.44Å | 1.29Å | |
| N19 | C20 | sing | 1.35Å | 1.33Å | Aromatic |
| N17 | C21 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | O16 | sing | 1.44Å | 1.62Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | doub | 1.40Å | 1.37Å | Aromatic |
| C20 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C11 | O10 | sing | 1.43Å | 1.39Å | |
| C21 | N22 | sing | 1.33Å | 1.33Å | Aromatic |
| O50 | C42 | doub | 1.21Å | 1.19Å | |
| N26 | C25 | sing | 1.38Å | 1.45Å | |
| O10 | P09 | sing | 1.61Å | 1.63Å | |
| O49 | C47 | doub | 1.21Å | 1.13Å | |
| C25 | N24 | doub | 1.33Å | 1.31Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.31Å | Aromatic |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C40 | N39 | sing | 1.47Å | 1.45Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| N39 | C38 | sing | 1.35Å | 1.46Å | |
| C42 | C41 | sing | 1.51Å | 1.53Å | |
| C42 | N43 | sing | 1.35Å | 1.45Å | |
| O01 | C02 | sing | 1.43Å | 1.42Å | |
| C47 | C48 | sing | 1.51Å | 1.50Å | |
| C47 | N46 | sing | 1.35Å | 1.43Å | |
| N24 | C23 | sing | 1.32Å | 1.32Å | Aromatic |
| O35 | P07 | doub | 1.48Å | 1.49Å | |
| P09 | O34 | doub | 1.48Å | 1.52Å | |
| P09 | O33 | sing | 1.61Å | 1.51Å | |
| P09 | O08 | sing | 1.61Å | 1.65Å | |
| C44 | N43 | sing | 1.47Å | 1.45Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C05 | C03 | sing | 1.53Å | 1.53Å | |
| C05 | O06 | sing | 1.43Å | 1.39Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C03 | C37 | sing | 1.53Å | 1.53Å | |
| C45 | N46 | sing | 1.47Å | 1.44Å | |
| C02 | C38 | sing | 1.51Å | 1.51Å | |
| C38 | O51 | doub | 1.21Å | 1.19Å | |
| O08 | P07 | sing | 1.61Å | 1.64Å | |
| P07 | O06 | sing | 1.61Å | 1.62Å | |
| P07 | O36 | sing | 1.61Å | 1.52Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| N26 | H262 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N39 | H391 | sing | 0.97Å | 1.00Å | |
| N43 | H431 | sing | 0.97Å | 1.00Å | |
| N46 | H461 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O30 | H1 | sing | 0.97Å | 0.95Å | |
| O32 | H2 | sing | 0.97Å | 0.95Å | |
| O33 | H3 | sing | 0.97Å | 0.95Å | |
| O36 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | P29 | O30 | 107.2° | 109.5° |
| O31 | P29 | O28 | 107.3° | 109.4° |
| O31 | P29 | O32 | 109.5° | 109.5° |
| O30 | P29 | O28 | 107.4° | 109.5° |
| O30 | P29 | O32 | 111.0° | 109.5° |
| P29 | O30 | H1 | 109.5° | 114.0° |
| O27 | C14 | C13 | 115.2° | 110.9° |
| O27 | C14 | C15 | 111.6° | 110.9° |
| O27 | C14 | H141 | 112.8° | 110.8° |
| C14 | O27 | H271 | 109.5° | 114.0° |
| O28 | P29 | O32 | 114.2° | 109.4° |
| P29 | O28 | C13 | 120.4° | 123.0° |
| P29 | O32 | H2 | 109.5° | 114.0° |
| O28 | C13 | C14 | 115.7° | 110.6° |
| O28 | C13 | C12 | 105.9° | 110.4° |
| O28 | C13 | H131 | 109.9° | 110.5° |
| C13 | C14 | C15 | 96.7° | 102.1° |
| C14 | C13 | C12 | 103.1° | 104.2° |
| C14 | C13 | H131 | 109.4° | 110.5° |
| C13 | C14 | H141 | 110.0° | 110.9° |
| C14 | C15 | N17 | 106.1° | 110.6° |
| C14 | C15 | O16 | 110.3° | 103.5° |
| C15 | C14 | H141 | 109.5° | 111.0° |
| C14 | C15 | H151 | 109.8° | 110.7° |
| C13 | C12 | O16 | 106.0° | 107.3° |
| C13 | C12 | C11 | 109.9° | 109.8° |
| C13 | C12 | H121 | 112.1° | 110.0° |
| C12 | C13 | H131 | 112.8° | 110.5° |
| N19 | C18 | N17 | 110.0° | 110.0° |
| C18 | N19 | C20 | 107.3° | 109.4° |
| N19 | C18 | H181 | 125.0° | 125.0° |
| C18 | N17 | C15 | 124.7° | 126.3° |
| C18 | N17 | C21 | 108.5° | 107.4° |
| N17 | C18 | H181 | 125.0° | 125.0° |
| N17 | C15 | O16 | 104.9° | 110.6° |
| C15 | N17 | C21 | 126.8° | 126.3° |
| N17 | C15 | H151 | 111.0° | 110.5° |
| C15 | O16 | C12 | 103.0° | 107.0° |
| O16 | C15 | H151 | 114.3° | 110.7° |
| N19 | C20 | C21 | 108.5° | 107.1° |
| N19 | C20 | C25 | 132.9° | 134.7° |
| N17 | C21 | C20 | 105.8° | 106.0° |
| N17 | C21 | N22 | 134.6° | 134.9° |
| O16 | C12 | C11 | 112.2° | 109.9° |
| O16 | C12 | H121 | 107.7° | 109.9° |
| C12 | C11 | O10 | 104.6° | 109.5° |
| C12 | C11 | H112 | 110.7° | 109.5° |
| C12 | C11 | H111 | 110.7° | 109.4° |
| C11 | C12 | H121 | 109.0° | 109.8° |
| C21 | C20 | C25 | 118.6° | 118.2° |
| C20 | C21 | N22 | 119.7° | 119.1° |
| C20 | C25 | N26 | 117.3° | 120.8° |
| C20 | C25 | N24 | 119.2° | 118.4° |
| C11 | O10 | P09 | 122.1° | 123.0° |
| O10 | C11 | H112 | 110.6° | 109.5° |
| O10 | C11 | H111 | 110.7° | 109.4° |
| C21 | N22 | C23 | 119.8° | 120.6° |
| O50 | C42 | C41 | 121.2° | 120.0° |
| O50 | C42 | N43 | 121.7° | 120.0° |
| N26 | C25 | N24 | 123.4° | 120.8° |
| C25 | N26 | H262 | 109.5° | 120.0° |
| C25 | N26 | H261 | 109.5° | 120.0° |
| O10 | P09 | O34 | 108.9° | 109.5° |
| O10 | P09 | O33 | 116.2° | 109.5° |
| O10 | P09 | O08 | 101.8° | 109.5° |
| O49 | C47 | C48 | 119.8° | 120.0° |
| O49 | C47 | N46 | 118.7° | 120.0° |
| C25 | N24 | C23 | 120.6° | 121.2° |
| N22 | C23 | N24 | 122.1° | 122.5° |
| N22 | C23 | H231 | 118.9° | 118.8° |
| C04 | C03 | C05 | 104.9° | 109.5° |
| C04 | C03 | C02 | 114.9° | 109.5° |
| C04 | C03 | C37 | 110.2° | 109.5° |
| C03 | C04 | H043 | 109.5° | 109.4° |
| C03 | C04 | H041 | 109.5° | 109.5° |
| C03 | C04 | H042 | 109.5° | 109.4° |
| N39 | C40 | C41 | 109.6° | 109.5° |
| C40 | N39 | C38 | 123.5° | 120.0° |
| N39 | C40 | H401 | 109.4° | 109.4° |
| N39 | C40 | H402 | 109.4° | 109.5° |
| C40 | N39 | H391 | 118.2° | 119.9° |
| C40 | C41 | C42 | 117.6° | 109.5° |
| C41 | C40 | H401 | 109.4° | 109.5° |
| C41 | C40 | H402 | 109.5° | 109.5° |
| C40 | C41 | H411 | 107.4° | 109.5° |
| C40 | C41 | H412 | 107.4° | 109.5° |
| N39 | C38 | C02 | 114.4° | 120.0° |
| N39 | C38 | O51 | 124.3° | 120.0° |
| C38 | N39 | H391 | 118.2° | 120.0° |
| C41 | C42 | N43 | 117.1° | 120.0° |
| C42 | C41 | H411 | 107.4° | 109.5° |
| C42 | C41 | H412 | 107.4° | 109.4° |
| C42 | N43 | C44 | 121.5° | 120.0° |
| C42 | N43 | H431 | 119.3° | 120.0° |
| O01 | C02 | C03 | 110.4° | 109.4° |
| O01 | C02 | C38 | 106.8° | 109.5° |
| O01 | C02 | H021 | 109.3° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.1° |
| C48 | C47 | N46 | 121.4° | 120.0° |
| C47 | C48 | H483 | 109.5° | 109.5° |
| C47 | C48 | H481 | 109.5° | 109.5° |
| C47 | C48 | H482 | 109.5° | 109.5° |
| C47 | N46 | C45 | 117.2° | 120.0° |
| C47 | N46 | H461 | 121.4° | 120.0° |
| N24 | C23 | H231 | 118.9° | 118.7° |
| O35 | P07 | O08 | 120.7° | 109.4° |
| O35 | P07 | O06 | 107.7° | 109.5° |
| O35 | P07 | O36 | 109.5° | 109.5° |
| O34 | P09 | O33 | 115.8° | 109.5° |
| O34 | P09 | O08 | 103.2° | 109.5° |
| O33 | P09 | O08 | 109.2° | 109.5° |
| P09 | O33 | H3 | 109.5° | 114.0° |
| P09 | O08 | P07 | 123.3° | 134.0° |
| N43 | C44 | C45 | 100.7° | 109.5° |
| N43 | C44 | H442 | 111.6° | 109.5° |
| N43 | C44 | H441 | 111.6° | 109.4° |
| C44 | N43 | H431 | 119.3° | 119.9° |
| C44 | C45 | N46 | 115.9° | 109.5° |
| C45 | C44 | H442 | 111.6° | 109.5° |
| C45 | C44 | H441 | 111.6° | 109.5° |
| C44 | C45 | H452 | 107.9° | 109.5° |
| C44 | C45 | H451 | 107.8° | 109.5° |
| C03 | C05 | O06 | 107.3° | 109.5° |
| C05 | C03 | C02 | 110.4° | 109.5° |
| C05 | C03 | C37 | 109.2° | 109.5° |
| C03 | C05 | H052 | 110.0° | 109.5° |
| C03 | C05 | H051 | 110.0° | 109.5° |
| C05 | O06 | P07 | 122.8° | 123.0° |
| O06 | C05 | H052 | 110.0° | 109.4° |
| O06 | C05 | H051 | 110.0° | 109.5° |
| C02 | C03 | C37 | 107.2° | 109.5° |
| C03 | C02 | C38 | 114.3° | 109.5° |
| C03 | C02 | H021 | 107.8° | 109.5° |
| C03 | C37 | H371 | 109.5° | 109.5° |
| C03 | C37 | H372 | 109.5° | 109.4° |
| C03 | C37 | H373 | 109.5° | 109.5° |
| N46 | C45 | H452 | 107.8° | 109.4° |
| N46 | C45 | H451 | 107.9° | 109.5° |
| C45 | N46 | H461 | 121.4° | 120.0° |
| C02 | C38 | O51 | 121.3° | 120.0° |
| C38 | C02 | H021 | 108.1° | 109.5° |
| O08 | P07 | O06 | 99.2° | 109.5° |
| O08 | P07 | O36 | 113.6° | 109.5° |
| O06 | P07 | O36 | 103.9° | 109.5° |
| P07 | O36 | H4 | 109.5° | 114.0° |
| H043 | C04 | H041 | 109.5° | 109.5° |
| H043 | C04 | H042 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H442 | C44 | H441 | 109.5° | 109.4° |
| H452 | C45 | H451 | 109.5° | 109.4° |
| H483 | C48 | H481 | 109.5° | 109.5° |
| H483 | C48 | H482 | 109.5° | 109.4° |
| H481 | C48 | H482 | 109.4° | 109.5° |
| H262 | N26 | H261 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | P29 | O30 | O28 | 115.0° | 120.0° |
| O31 | P29 | O30 | O32 | 119.5° | 120.0° |
| O31 | P29 | O28 | O32 | 121.6° | 120.0° |
| O31 | P29 | O28 | C13 | 89.9° | 55.1° |
| O31 | P29 | O30 | H1 | 0.0° | 180.0° |
| O31 | P29 | O32 | H2 | 0.0° | 60.0° |
| O30 | P29 | O28 | O32 | 123.5° | 120.0° |
| O30 | P29 | O28 | C13 | 155.1° | 64.9° |
| O30 | P29 | O32 | H2 | 118.1° | 60.0° |
| O27 | C14 | C13 | O28 | 41.9° | 20.4° |
| O27 | C14 | C13 | C15 | 117.7° | 118.2° |
| O27 | C14 | C13 | H141 | 128.8° | 123.6° |
| O27 | C14 | C15 | H141 | 125.5° | 123.6° |
| O27 | C14 | C13 | C12 | 73.1° | 139.1° |
| O27 | C14 | C15 | N17 | 159.7° | 86.3° |
| O27 | C14 | C15 | O16 | 87.2° | 155.2° |
| O27 | C14 | C13 | H131 | 166.6° | 102.3° |
| O27 | C14 | C15 | H151 | 39.6° | 36.6° |
| P29 | O28 | C13 | C14 | 119.8° | 125.2° |
| P29 | O28 | C13 | C12 | 126.7° | 120.1° |
| P29 | O28 | C13 | H131 | 4.6° | 2.5° |
| O28 | P29 | O30 | H1 | 115.0° | 60.1° |
| O28 | P29 | O32 | H2 | 120.4° | 180.0° |
| O32 | P29 | O28 | C13 | 31.6° | 175.1° |
| O32 | P29 | O30 | H1 | 119.6° | 59.9° |
| O28 | C13 | C14 | C12 | 115.0° | 118.7° |
| O28 | C13 | C14 | H131 | 124.7° | 122.7° |
| O28 | C13 | C14 | C15 | 159.6° | 97.8° |
| O28 | C13 | C12 | H131 | 120.2° | 122.5° |
| O28 | C13 | C12 | O16 | 162.5° | 120.8° |
| O28 | C13 | C12 | C11 | 76.1° | 119.7° |
| O28 | C13 | C12 | H121 | 45.3° | 1.3° |
| O28 | C13 | C14 | H141 | 86.8° | 144.0° |
| C13 | C14 | C15 | H141 | 113.9° | 118.2° |
| C14 | C13 | C12 | H131 | 117.9° | 118.7° |
| C13 | C14 | C15 | N17 | 79.8° | 155.5° |
| C13 | C14 | C15 | O16 | 33.3° | 37.0° |
| C14 | C13 | C12 | O16 | 40.6° | 2.0° |
| C14 | C13 | C12 | C11 | 162.0° | 121.5° |
| C14 | C13 | C12 | H121 | 76.6° | 117.5° |
| C13 | C14 | C15 | H151 | 160.2° | 81.6° |
| C13 | C14 | O27 | H271 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 44.6° | 20.9° |
| C14 | C15 | N17 | C18 | 55.8° | 95.0° |
| C14 | C15 | N17 | O16 | 116.8° | 114.1° |
| C14 | C15 | N17 | H151 | 119.3° | 122.9° |
| C14 | C15 | O16 | H151 | 124.3° | 118.6° |
| C14 | C15 | N17 | C21 | 122.1° | 85.0° |
| C14 | C15 | O16 | C12 | 11.2° | 40.0° |
| C15 | C14 | C13 | H131 | 75.7° | 139.6° |
| C15 | C14 | O27 | H271 | 71.0° | 67.3° |
| C13 | C12 | O16 | C15 | 19.4° | 26.5° |
| C13 | C12 | O16 | C11 | 119.9° | 119.4° |
| C13 | C12 | O16 | H121 | 120.1° | 119.6° |
| C13 | C12 | C11 | H121 | 123.3° | 121.1° |
| C13 | C12 | C11 | O10 | 169.5° | 175.7° |
| C13 | C12 | C11 | H112 | 50.2° | 55.7° |
| C13 | C12 | C11 | H111 | 71.3° | 64.4° |
| C12 | C13 | C14 | H141 | 158.1° | 97.4° |
| N19 | C18 | N17 | H181 | 180.0° | 179.7° |
| N19 | C18 | N17 | C15 | 178.9° | 180.0° |
| N19 | C18 | N17 | C21 | 0.7° | 0.0° |
| C18 | N19 | C20 | C21 | 0.2° | 0.0° |
| C18 | N19 | C20 | C25 | 179.4° | 180.0° |
| C18 | N17 | C15 | C21 | 177.9° | 180.0° |
| C18 | N17 | C15 | O16 | 172.6° | 19.1° |
| N17 | C18 | N19 | C20 | 0.3° | 0.0° |
| C18 | N17 | C21 | C20 | 0.8° | 0.0° |
| C18 | N17 | C21 | N22 | 179.6° | 180.0° |
| C18 | N17 | C15 | H151 | 63.4° | 142.1° |
| N17 | C15 | O16 | H151 | 121.8° | 122.9° |
| N17 | C15 | O16 | C12 | 102.7° | 158.5° |
| C15 | N17 | C21 | C20 | 179.0° | 180.0° |
| C15 | N17 | C21 | N22 | 2.2° | 0.0° |
| N17 | C15 | C14 | H141 | 34.2° | 37.3° |
| C15 | N17 | C18 | H181 | 1.1° | 0.3° |
| O16 | C15 | N17 | C21 | 5.3° | 160.9° |
| C15 | O16 | C12 | C11 | 139.3° | 145.9° |
| C15 | O16 | C12 | H121 | 100.8° | 93.1° |
| O16 | C15 | C14 | H141 | 147.2° | 81.2° |
| N19 | C20 | C21 | N17 | 0.6° | 0.0° |
| N19 | C20 | C21 | C25 | 179.7° | 180.0° |
| N19 | C20 | C21 | N22 | 179.6° | 180.0° |
| N19 | C20 | C25 | N26 | 0.0° | 0.1° |
| N19 | C20 | C25 | N24 | 179.6° | 180.0° |
| C20 | N19 | C18 | H181 | 179.7° | 179.7° |
| N17 | C21 | C20 | N22 | 179.0° | 180.0° |
| N17 | C21 | C20 | C25 | 179.0° | 180.0° |
| N17 | C21 | N22 | C23 | 178.5° | 180.0° |
| C21 | N17 | C15 | H151 | 118.7° | 37.9° |
| C21 | N17 | C18 | H181 | 179.3° | 179.7° |
| O16 | C12 | C11 | H121 | 119.1° | 121.0° |
| O16 | C12 | C11 | O10 | 72.9° | 66.4° |
| O16 | C12 | C11 | H112 | 167.9° | 173.6° |
| O16 | C12 | C11 | H111 | 46.3° | 53.5° |
| O16 | C12 | C13 | H131 | 77.3° | 116.6° |
| C12 | O16 | C15 | H151 | 135.5° | 78.6° |
| C12 | C11 | O10 | H112 | 119.2° | 120.0° |
| C12 | C11 | O10 | H111 | 119.2° | 119.9° |
| C12 | C11 | O10 | P09 | 124.6° | 180.0° |
| C12 | C11 | H112 | H111 | 122.2° | 120.0° |
| C11 | C12 | C13 | H131 | 44.1° | 2.8° |
| C21 | C20 | C25 | N26 | 179.6° | 179.9° |
| C21 | C20 | C25 | N24 | 0.0° | 0.0° |
| C20 | C21 | N22 | C23 | 0.1° | 0.0° |
| C25 | C20 | C21 | N22 | 0.1° | 0.0° |
| C20 | C25 | N26 | N24 | 179.6° | 179.9° |
| C20 | C25 | N24 | C23 | 0.2° | 0.0° |
| C20 | C25 | N26 | H262 | 179.5° | 0.1° |
| C20 | C25 | N26 | H261 | 60.4° | 180.0° |
| C11 | O10 | P09 | O34 | 102.7° | 55.0° |
| C11 | O10 | P09 | O33 | 30.3° | 65.0° |
| C11 | O10 | P09 | O08 | 148.8° | 175.0° |
| O10 | C11 | H112 | H111 | 122.2° | 120.0° |
| O10 | C11 | C12 | H121 | 46.2° | 54.6° |
| C21 | N22 | C23 | N24 | 0.3° | 0.0° |
| C21 | N22 | C23 | H231 | 179.7° | 180.0° |
| O50 | C42 | C41 | C40 | 63.9° | 0.1° |
| O50 | C42 | C41 | N43 | 179.9° | 179.9° |
| O50 | C42 | N43 | C44 | 2.2° | 0.0° |
| O50 | C42 | C41 | H411 | 175.0° | 120.0° |
| O50 | C42 | C41 | H412 | 57.3° | 120.1° |
| O50 | C42 | N43 | H431 | 177.9° | 179.9° |
| N26 | C25 | N24 | C23 | 179.3° | 179.9° |
| C25 | N26 | H262 | H261 | 120.1° | 180.0° |
| O10 | P09 | O34 | O33 | 133.2° | 120.0° |
| O10 | P09 | O34 | O08 | 107.6° | 120.0° |
| O10 | P09 | O33 | O08 | 114.4° | 120.0° |
| O10 | P09 | O08 | P07 | 81.5° | 160.0° |
| P09 | O10 | C11 | H112 | 116.2° | 60.0° |
| P09 | O10 | C11 | H111 | 5.4° | 60.0° |
| O10 | P09 | O33 | H3 | 129.7° | 60.0° |
| O49 | C47 | C48 | N46 | 179.7° | 179.9° |
| O49 | C47 | N46 | C45 | 1.5° | 0.1° |
| O49 | C47 | C48 | H483 | 0.0° | 180.0° |
| O49 | C47 | C48 | H481 | 120.0° | 60.0° |
| O49 | C47 | C48 | H482 | 120.0° | 60.0° |
| O49 | C47 | N46 | H461 | 178.5° | 179.9° |
| C25 | N24 | C23 | N22 | 0.4° | 0.0° |
| C25 | N24 | C23 | H231 | 179.6° | 180.0° |
| N24 | C25 | N26 | H262 | 0.0° | 180.0° |
| N24 | C25 | N26 | H261 | 120.0° | 0.0° |
| N22 | C23 | N24 | H231 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 63.8° | 174.3° |
| C04 | C03 | C05 | C02 | 124.3° | 120.0° |
| C04 | C03 | C05 | C37 | 118.1° | 120.0° |
| C04 | C03 | C05 | O06 | 174.1° | 60.0° |
| C04 | C03 | C02 | C37 | 122.8° | 120.0° |
| C04 | C03 | C02 | C38 | 56.7° | 65.7° |
| C04 | C03 | C02 | H021 | 176.9° | 54.3° |
| C03 | C04 | H043 | H041 | 120.0° | 120.0° |
| C03 | C04 | H043 | H042 | 120.0° | 119.9° |
| C03 | C04 | H041 | H042 | 120.0° | 120.0° |
| C04 | C03 | C05 | H052 | 66.2° | 60.0° |
| C04 | C03 | C05 | H051 | 54.5° | 180.0° |
| C04 | C03 | C37 | H371 | 180.0° | 56.6° |
| C04 | C03 | C37 | H372 | 60.0° | 63.4° |
| C04 | C03 | C37 | H373 | 60.0° | 176.6° |
| N39 | C40 | C41 | H401 | 120.0° | 119.9° |
| N39 | C40 | C41 | H402 | 120.0° | 120.0° |
| C40 | N39 | C38 | H391 | 180.0° | 179.9° |
| N39 | C40 | C41 | C42 | 49.2° | 180.0° |
| C40 | N39 | C38 | C02 | 179.4° | 175.6° |
| C40 | N39 | C38 | O51 | 0.9° | 4.4° |
| N39 | C40 | H401 | H402 | 119.9° | 119.9° |
| N39 | C40 | C41 | H411 | 71.9° | 60.0° |
| N39 | C40 | C41 | H412 | 170.4° | 60.0° |
| C41 | C40 | N39 | C38 | 52.6° | 180.0° |
| C40 | C41 | C42 | H411 | 121.2° | 120.0° |
| C40 | C41 | C42 | H412 | 121.2° | 120.0° |
| C40 | C41 | C42 | N43 | 116.0° | 180.0° |
| C41 | C40 | H401 | H402 | 120.0° | 120.1° |
| C40 | C41 | H411 | H412 | 116.3° | 120.0° |
| C41 | C40 | N39 | H391 | 127.4° | 0.1° |
| N39 | C38 | C02 | O01 | 26.5° | 171.9° |
| N39 | C38 | C02 | C03 | 96.0° | 68.2° |
| N39 | C38 | C02 | O51 | 178.5° | 180.0° |
| N39 | C38 | C02 | H021 | 144.0° | 51.9° |
| C38 | N39 | C40 | H401 | 67.5° | 60.0° |
| C38 | N39 | C40 | H402 | 172.6° | 59.9° |
| C41 | C42 | N43 | C44 | 177.9° | 180.0° |
| C42 | C41 | C40 | H401 | 169.3° | 60.1° |
| C42 | C41 | C40 | H402 | 70.8° | 60.0° |
| C42 | C41 | H411 | H412 | 116.3° | 120.0° |
| C41 | C42 | N43 | H431 | 2.0° | 0.0° |
| C42 | N43 | C44 | H431 | 180.0° | 180.0° |
| C42 | N43 | C44 | C45 | 94.8° | 180.0° |
| N43 | C42 | C41 | H411 | 5.1° | 60.0° |
| N43 | C42 | C41 | H412 | 122.8° | 60.0° |
| C42 | N43 | C44 | H442 | 23.8° | 59.9° |
| C42 | N43 | C44 | H441 | 146.6° | 60.0° |
| O01 | C02 | C03 | C05 | 54.6° | 65.7° |
| O01 | C02 | C03 | C38 | 120.5° | 120.0° |
| O01 | C02 | C03 | H021 | 119.3° | 120.0° |
| O01 | C02 | C03 | C37 | 173.4° | 54.3° |
| O01 | C02 | C38 | H021 | 117.5° | 120.0° |
| O01 | C02 | C38 | O51 | 152.0° | 8.1° |
| C48 | C47 | N46 | C45 | 178.8° | 180.0° |
| C47 | C48 | H483 | H481 | 120.0° | 120.0° |
| C47 | C48 | H483 | H482 | 120.0° | 119.9° |
| C47 | C48 | H481 | H482 | 120.0° | 120.0° |
| C48 | C47 | N46 | H461 | 1.2° | 0.1° |
| C47 | N46 | C45 | C44 | 71.1° | 180.0° |
| C47 | N46 | C45 | H461 | 180.0° | 179.9° |
| C47 | N46 | C45 | H452 | 168.0° | 60.0° |
| C47 | N46 | C45 | H451 | 49.8° | 59.9° |
| N46 | C47 | C48 | H483 | 179.7° | 0.1° |
| N46 | C47 | C48 | H481 | 59.7° | 119.9° |
| N46 | C47 | C48 | H482 | 60.3° | 120.0° |
| O35 | P07 | O08 | P09 | 47.9° | 45.0° |
| O35 | P07 | O06 | C05 | 50.3° | 55.0° |
| O35 | P07 | O08 | O06 | 117.0° | 120.0° |
| O35 | P07 | O08 | O36 | 133.2° | 120.0° |
| O35 | P07 | O06 | O36 | 116.2° | 120.0° |
| O35 | P07 | O36 | H4 | 0.0° | 180.0° |
| O34 | P09 | O33 | O08 | 115.9° | 120.0° |
| O34 | P09 | O08 | P07 | 31.4° | 40.1° |
| O34 | P09 | O33 | H3 | 0.0° | 180.0° |
| O33 | P09 | O08 | P07 | 155.1° | 80.0° |
| P09 | O08 | P07 | O06 | 164.9° | 165.0° |
| P09 | O08 | P07 | O36 | 85.4° | 74.9° |
| O08 | P09 | O33 | H3 | 115.9° | 60.0° |
| N43 | C44 | C45 | H442 | 118.6° | 120.1° |
| N43 | C44 | C45 | H441 | 118.6° | 119.9° |
| N43 | C44 | C45 | N46 | 165.1° | 180.0° |
| N43 | C44 | H442 | H441 | 124.1° | 119.9° |
| N43 | C44 | C45 | H452 | 44.1° | 60.1° |
| N43 | C44 | C45 | H451 | 74.0° | 59.9° |
| C44 | C45 | N46 | H452 | 120.9° | 120.0° |
| C44 | C45 | N46 | H451 | 120.9° | 120.1° |
| C45 | C44 | H442 | H441 | 124.1° | 120.0° |
| C44 | C45 | H452 | H451 | 117.1° | 120.1° |
| C45 | C44 | N43 | H431 | 85.2° | 0.1° |
| C44 | C45 | N46 | H461 | 108.9° | 0.1° |
| C03 | C05 | O06 | H052 | 119.7° | 120.0° |
| C03 | C05 | O06 | H051 | 119.6° | 120.0° |
| C05 | C03 | C02 | C37 | 118.8° | 120.0° |
| C05 | C03 | C02 | C38 | 175.1° | 54.2° |
| C03 | C05 | O06 | P07 | 135.2° | 180.0° |
| C05 | C03 | C02 | H021 | 64.8° | 174.3° |
| C05 | C03 | C04 | H043 | 180.0° | 53.6° |
| C05 | C03 | C04 | H041 | 60.0° | 66.4° |
| C05 | C03 | C04 | H042 | 60.0° | 173.6° |
| C03 | C05 | H052 | H051 | 121.0° | 120.1° |
| C05 | C03 | C37 | H371 | 65.3° | 176.6° |
| C05 | C03 | C37 | H372 | 174.7° | 56.6° |
| C05 | C03 | C37 | H373 | 54.7° | 63.4° |
| O06 | C05 | C03 | C02 | 49.8° | 180.0° |
| O06 | C05 | C03 | C37 | 67.8° | 60.0° |
| C05 | O06 | P07 | O08 | 76.3° | 175.0° |
| C05 | O06 | P07 | O36 | 166.4° | 64.9° |
| O06 | C05 | H052 | H051 | 121.0° | 120.0° |
| C03 | C02 | C38 | H021 | 120.0° | 120.0° |
| C03 | C02 | C38 | O51 | 85.5° | 111.8° |
| C02 | C03 | C04 | H043 | 58.6° | 66.4° |
| C02 | C03 | C04 | H041 | 61.4° | 173.6° |
| C02 | C03 | C04 | H042 | 178.6° | 53.6° |
| C02 | C03 | C05 | H052 | 169.4° | 60.0° |
| C02 | C03 | C05 | H051 | 69.9° | 60.0° |
| C02 | C03 | C37 | H371 | 54.3° | 63.4° |
| C02 | C03 | C37 | H372 | 65.7° | 176.6° |
| C02 | C03 | C37 | H373 | 174.3° | 56.6° |
| C03 | C02 | O01 | H011 | 73.0° | 60.0° |
| C37 | C03 | C02 | C38 | 66.1° | 174.2° |
| C37 | C03 | C02 | H021 | 54.1° | 65.7° |
| C37 | C03 | C04 | H043 | 62.6° | 173.6° |
| C37 | C03 | C04 | H041 | 177.4° | 53.6° |
| C37 | C03 | C04 | H042 | 57.4° | 66.4° |
| C37 | C03 | C05 | H052 | 51.8° | 180.0° |
| C37 | C03 | C05 | H051 | 172.5° | 60.0° |
| C03 | C37 | H371 | H372 | 120.0° | 120.0° |
| C03 | C37 | H371 | H373 | 120.0° | 120.0° |
| C03 | C37 | H372 | H373 | 120.0° | 120.0° |
| N46 | C45 | C44 | H442 | 76.4° | 59.9° |
| N46 | C45 | C44 | H441 | 46.5° | 60.1° |
| N46 | C45 | H452 | H451 | 117.1° | 120.0° |
| C02 | C38 | N39 | H391 | 0.6° | 4.4° |
| C38 | C02 | O01 | H011 | 162.1° | 59.9° |
| O51 | C38 | C02 | H021 | 34.6° | 128.2° |
| O51 | C38 | N39 | H391 | 179.1° | 175.6° |
| O08 | P07 | O06 | O36 | 117.3° | 120.0° |
| O08 | P07 | O36 | H4 | 138.4° | 60.0° |
| P07 | O06 | C05 | H052 | 105.1° | 60.1° |
| P07 | O06 | C05 | H051 | 15.6° | 59.9° |
| O06 | P07 | O36 | H4 | 114.8° | 60.0° |
| H021 | C02 | O01 | H011 | 45.4° | 180.0° |
| H043 | C04 | H041 | H042 | 120.0° | 120.1° |
| H112 | C11 | C12 | H121 | 73.0° | 65.4° |
| H111 | C11 | C12 | H121 | 165.4° | 174.5° |
| H121 | C12 | C13 | H131 | 165.5° | 123.8° |
| H131 | C13 | C14 | H141 | 37.9° | 21.3° |
| H141 | C14 | C15 | H151 | 85.9° | 160.2° |
| H141 | C14 | O27 | H271 | 52.7° | 56.4° |
| H371 | C37 | H372 | H373 | 120.0° | 120.0° |
| H401 | C40 | C41 | H411 | 48.1° | 60.0° |
| H401 | C40 | C41 | H412 | 69.6° | 180.0° |
| H401 | C40 | N39 | H391 | 112.5° | 120.0° |
| H402 | C40 | C41 | H411 | 168.0° | 180.0° |
| H402 | C40 | C41 | H412 | 50.4° | 60.0° |
| H402 | C40 | N39 | H391 | 7.4° | 120.0° |
| H442 | C44 | C45 | H452 | 162.7° | 60.0° |
| H442 | C44 | C45 | H451 | 44.6° | NaN° |
| H442 | C44 | N43 | H431 | 156.3° | 120.0° |
| H441 | C44 | C45 | H452 | 74.4° | 180.0° |
| H441 | C44 | C45 | H451 | 167.4° | 60.0° |
| H441 | C44 | N43 | H431 | 33.4° | 120.0° |
| H452 | C45 | N46 | H461 | 12.0° | 120.1° |
| H451 | C45 | N46 | H461 | 130.2° | 120.0° |
| H483 | C48 | H481 | H482 | 120.0° | 120.0° |
