1QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C03 | sing | 1.43Å | 1.43Å | |
| C03 | C04 | sing | 1.54Å | 1.53Å | |
| C03 | C02 | sing | 1.55Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | O33 | sing | 1.44Å | 1.45Å | |
| O32 | P07 | doub | 1.48Å | 1.46Å | |
| C05 | O06 | sing | 1.43Å | 1.45Å | |
| O35 | C02 | sing | 1.43Å | 1.44Å | |
| O33 | C01 | sing | 1.44Å | 1.40Å | |
| O06 | P07 | sing | 1.61Å | 1.59Å | |
| O31 | P07 | sing | 1.61Å | 1.49Å | |
| C02 | C01 | sing | 1.55Å | 1.53Å | |
| P07 | O08 | sing | 1.61Å | 1.58Å | |
| C01 | N36 | sing | 1.46Å | 1.58Å | |
| O08 | P09 | sing | 1.61Å | 1.55Å | |
| N36 | C37 | doub | 1.31Å | 1.33Å | Aromatic |
| N36 | C41 | sing | 1.33Å | 1.36Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.44Å | Aromatic |
| O30 | P09 | doub | 1.48Å | 1.48Å | |
| P09 | O10 | sing | 1.61Å | 1.53Å | |
| P09 | O11 | sing | 1.61Å | 1.64Å | |
| C41 | C40 | doub | 1.36Å | 1.41Å | Aromatic |
| C38 | C45 | sing | 1.40Å | 1.43Å | Aromatic |
| C38 | C39 | doub | 1.42Å | 1.40Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C40 | C39 | sing | 1.41Å | 1.42Å | Aromatic |
| C45 | C44 | doub | 1.36Å | 1.42Å | Aromatic |
| C39 | C42 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C44 | C43 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | O17 | sing | 1.44Å | 1.44Å | |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| C42 | C43 | doub | 1.36Å | 1.40Å | Aromatic |
| C42 | I46 | sing | 2.09Å | 2.11Å | |
| O29 | C14 | sing | 1.43Å | 1.42Å | |
| O17 | C16 | sing | 1.44Å | 1.41Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C16 | N18 | sing | 1.47Å | 1.47Å | |
| C15 | O28 | sing | 1.43Å | 1.43Å | |
| N18 | C19 | sing | 1.36Å | 1.35Å | Aromatic |
| N18 | C22 | sing | 1.37Å | 1.34Å | Aromatic |
| C19 | N20 | doub | 1.30Å | 1.33Å | Aromatic |
| C22 | N23 | doub | 1.33Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.35Å | Aromatic |
| N23 | C24 | sing | 1.32Å | 1.33Å | Aromatic |
| N20 | C21 | sing | 1.36Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | N25 | doub | 1.32Å | 1.33Å | Aromatic |
| C26 | N25 | sing | 1.33Å | 1.34Å | Aromatic |
| C26 | N27 | sing | 1.38Å | 1.43Å | |
| O10 | H1 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C37 | H8 | sing | 1.08Å | 1.08Å | |
| C40 | H9 | sing | 1.08Å | 1.08Å | |
| C41 | H10 | sing | 1.08Å | 1.08Å | |
| C43 | H11 | sing | 1.08Å | 1.08Å | |
| C44 | H12 | sing | 1.08Å | 1.08Å | |
| C45 | H13 | sing | 1.08Å | 1.08Å | |
| N27 | H14 | sing | 0.97Å | 1.00Å | |
| N27 | H15 | sing | 0.97Å | 1.00Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å | |
| O29 | H17 | sing | 0.97Å | 0.95Å | |
| O31 | H18 | sing | 0.97Å | 0.95Å | |
| O34 | H19 | sing | 0.97Å | 0.95Å | |
| O35 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C03 | C04 | 112.8° | 110.5° |
| O34 | C03 | C02 | 112.1° | 110.6° |
| O34 | C03 | H031 | 110.1° | 110.5° |
| C03 | O34 | H19 | 109.5° | 114.0° |
| C04 | C03 | C02 | 104.0° | 104.2° |
| C03 | C04 | C05 | 112.6° | 109.9° |
| C03 | C04 | O33 | 107.3° | 107.4° |
| C04 | C03 | H031 | 108.8° | 110.6° |
| C03 | C04 | H041 | 109.4° | 109.9° |
| C03 | C02 | O35 | 115.3° | 111.0° |
| C03 | C02 | C01 | 102.1° | 102.1° |
| C03 | C02 | H021 | 110.7° | 110.9° |
| C02 | C03 | H031 | 108.8° | 110.4° |
| C05 | C04 | O33 | 107.2° | 110.0° |
| C04 | C05 | O06 | 107.0° | 109.5° |
| C05 | C04 | H041 | 109.7° | 109.8° |
| C04 | C05 | H3 | 110.1° | 109.5° |
| C04 | C05 | H4 | 110.0° | 109.5° |
| C04 | O33 | C01 | 106.0° | 106.9° |
| O33 | C04 | H041 | 110.5° | 109.9° |
| O32 | P07 | O06 | 111.5° | 109.5° |
| O32 | P07 | O31 | 114.3° | 109.5° |
| O32 | P07 | O08 | 113.8° | 109.4° |
| C05 | O06 | P07 | 120.0° | 123.0° |
| O06 | C05 | H3 | 110.1° | 109.5° |
| O06 | C05 | H4 | 110.1° | 109.4° |
| O35 | C02 | C01 | 105.6° | 110.9° |
| O35 | C02 | H021 | 112.0° | 110.8° |
| C02 | O35 | H20 | 109.5° | 114.0° |
| O33 | C01 | C02 | 112.6° | 103.6° |
| O33 | C01 | N36 | 111.5° | 110.6° |
| O33 | C01 | H011 | 107.3° | 110.6° |
| O06 | P07 | O31 | 107.6° | 109.5° |
| O06 | P07 | O08 | 94.6° | 109.5° |
| O31 | P07 | O08 | 113.2° | 109.5° |
| P07 | O31 | H18 | 109.5° | 114.0° |
| C02 | C01 | N36 | 113.8° | 110.6° |
| C02 | C01 | H011 | 105.7° | 110.6° |
| C01 | C02 | H021 | 110.6° | 110.9° |
| P07 | O08 | P09 | 131.8° | 134.1° |
| C01 | N36 | C37 | 118.7° | 118.6° |
| C01 | N36 | C41 | 117.9° | 118.6° |
| N36 | C01 | H011 | 105.2° | 110.6° |
| O08 | P09 | O30 | 105.0° | 109.4° |
| O08 | P09 | O10 | 114.4° | 109.5° |
| O08 | P09 | O11 | 104.2° | 109.5° |
| C37 | N36 | C41 | 123.0° | 122.8° |
| N36 | C37 | C38 | 117.9° | 119.9° |
| N36 | C37 | H8 | 121.0° | 120.1° |
| N36 | C41 | C40 | 122.1° | 121.9° |
| N36 | C41 | H10 | 118.9° | 119.1° |
| C37 | C38 | C45 | 119.4° | 122.1° |
| C37 | C38 | C39 | 120.4° | 118.6° |
| C38 | C37 | H8 | 121.0° | 120.0° |
| O30 | P09 | O10 | 112.6° | 109.5° |
| O30 | P09 | O11 | 110.1° | 109.5° |
| O10 | P09 | O11 | 110.1° | 109.5° |
| P09 | O10 | H1 | 109.5° | 114.0° |
| P09 | O11 | C12 | 112.5° | 123.0° |
| C41 | C40 | C39 | 116.8° | 118.7° |
| C41 | C40 | H9 | 121.6° | 120.7° |
| C40 | C41 | H10 | 118.9° | 119.0° |
| C45 | C38 | C39 | 120.2° | 119.3° |
| C38 | C45 | C44 | 119.6° | 119.5° |
| C38 | C45 | H13 | 120.2° | 120.2° |
| C38 | C39 | C40 | 119.7° | 118.2° |
| C38 | C39 | C42 | 119.7° | 119.6° |
| O11 | C12 | C13 | 103.3° | 109.5° |
| O11 | C12 | H5 | 111.0° | 109.5° |
| O11 | C12 | H6 | 111.0° | 109.5° |
| C40 | C39 | C42 | 120.6° | 122.2° |
| C39 | C40 | H9 | 121.6° | 120.7° |
| C45 | C44 | C43 | 119.5° | 121.1° |
| C45 | C44 | H12 | 120.3° | 119.4° |
| C44 | C45 | H13 | 120.2° | 120.2° |
| C39 | C42 | C43 | 119.6° | 119.5° |
| C39 | C42 | I46 | 119.4° | 120.3° |
| C12 | C13 | O17 | 107.5° | 109.9° |
| C12 | C13 | C14 | 108.7° | 109.9° |
| C12 | C13 | H131 | 110.2° | 110.0° |
| C13 | C12 | H5 | 111.0° | 109.5° |
| C13 | C12 | H6 | 111.0° | 109.4° |
| C44 | C43 | C42 | 121.3° | 121.0° |
| C44 | C43 | H11 | 119.3° | 119.5° |
| C43 | C44 | H12 | 120.3° | 119.5° |
| O17 | C13 | C14 | 109.1° | 107.3° |
| C13 | O17 | C16 | 105.6° | 106.9° |
| O17 | C13 | H131 | 111.1° | 109.8° |
| C13 | C14 | O29 | 109.2° | 110.5° |
| C13 | C14 | C15 | 101.5° | 104.2° |
| C14 | C13 | H131 | 110.1° | 109.9° |
| C13 | C14 | H141 | 110.9° | 110.4° |
| C43 | C42 | I46 | 120.9° | 120.2° |
| C42 | C43 | H11 | 119.3° | 119.5° |
| O29 | C14 | C15 | 111.5° | 110.6° |
| O29 | C14 | H141 | 112.3° | 110.6° |
| C14 | O29 | H17 | 109.5° | 113.9° |
| O17 | C16 | C15 | 110.9° | 103.5° |
| O17 | C16 | N18 | 108.4° | 110.6° |
| O17 | C16 | H161 | 109.5° | 110.7° |
| C14 | C15 | C16 | 103.0° | 102.1° |
| C14 | C15 | O28 | 110.1° | 110.9° |
| C14 | C15 | H151 | 110.6° | 111.0° |
| C15 | C14 | H141 | 110.9° | 110.5° |
| C15 | C16 | N18 | 111.5° | 110.6° |
| C16 | C15 | O28 | 110.4° | 110.9° |
| C16 | C15 | H151 | 110.4° | 110.9° |
| C15 | C16 | H161 | 107.9° | 110.6° |
| C16 | N18 | C19 | 129.5° | 126.3° |
| C16 | N18 | C22 | 121.5° | 126.3° |
| N18 | C16 | H161 | 108.6° | 110.5° |
| O28 | C15 | H151 | 112.0° | 110.8° |
| C15 | O28 | H16 | 109.5° | 114.0° |
| C19 | N18 | C22 | 109.0° | 107.4° |
| N18 | C19 | N20 | 109.3° | 110.0° |
| N18 | C19 | H2 | 125.4° | 125.0° |
| N18 | C22 | N23 | 131.0° | 134.9° |
| N18 | C22 | C21 | 106.7° | 106.0° |
| C19 | N20 | C21 | 106.0° | 109.4° |
| N20 | C19 | H2 | 125.4° | 125.0° |
| N23 | C22 | C21 | 122.3° | 119.1° |
| C22 | N23 | C24 | 117.7° | 120.7° |
| C22 | C21 | N20 | 109.1° | 107.1° |
| C22 | C21 | C26 | 117.1° | 118.2° |
| N23 | C24 | N25 | 122.1° | 122.5° |
| N23 | C24 | H7 | 118.9° | 118.8° |
| N20 | C21 | C26 | 133.8° | 134.7° |
| C21 | C26 | N25 | 118.8° | 118.5° |
| C21 | C26 | N27 | 118.2° | 120.7° |
| C24 | N25 | C26 | 122.0° | 121.2° |
| N25 | C24 | H7 | 119.0° | 118.8° |
| N25 | C26 | N27 | 123.0° | 120.8° |
| C26 | N27 | H14 | 109.5° | 120.0° |
| C26 | N27 | H15 | 109.5° | 119.9° |
| H3 | C05 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H14 | N27 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C03 | C04 | C02 | 121.7° | 118.8° |
| O34 | C03 | C04 | H031 | 122.5° | 122.7° |
| O34 | C03 | C02 | H031 | 122.0° | 122.6° |
| O34 | C03 | C04 | C05 | 149.1° | 119.7° |
| O34 | C03 | C04 | O33 | 93.1° | 120.7° |
| O34 | C03 | C02 | O35 | 10.6° | 20.3° |
| O34 | C03 | C02 | C01 | 103.3° | 97.9° |
| O34 | C03 | C02 | H021 | 139.1° | 144.0° |
| O34 | C03 | C04 | H041 | 26.9° | 1.2° |
| C04 | C03 | C02 | H031 | 115.8° | 118.7° |
| C03 | C04 | C05 | O33 | 117.8° | 118.0° |
| C03 | C04 | C05 | H041 | 122.1° | 120.9° |
| C03 | C04 | O33 | H041 | 119.2° | 119.5° |
| C03 | C04 | C05 | O06 | 178.9° | 175.0° |
| C04 | C03 | C02 | O35 | 132.8° | 139.1° |
| C03 | C04 | O33 | C01 | 26.4° | 26.3° |
| C04 | C03 | C02 | C01 | 18.9° | 20.9° |
| C04 | C03 | C02 | H021 | 98.8° | 97.3° |
| C03 | C04 | C05 | H3 | 61.4° | 54.9° |
| C03 | C04 | C05 | H4 | 59.3° | 65.0° |
| C04 | C03 | O34 | H19 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 89.2° | 121.5° |
| C02 | C03 | C04 | O33 | 28.6° | 1.9° |
| C03 | C02 | O35 | C01 | 111.8° | 112.7° |
| C03 | C02 | O35 | H021 | 127.7° | 123.7° |
| C03 | C02 | C01 | O33 | 3.8° | 36.9° |
| C03 | C02 | C01 | H021 | 117.8° | 118.2° |
| C03 | C02 | C01 | N36 | 131.9° | 155.5° |
| C03 | C02 | C01 | H011 | 113.1° | 81.6° |
| C02 | C03 | C04 | H041 | 148.6° | 117.6° |
| C02 | C03 | O34 | H19 | 63.0° | 65.1° |
| C03 | C02 | O35 | H20 | 180.0° | 67.3° |
| C05 | C04 | O33 | H041 | 119.5° | 121.0° |
| C04 | C05 | O06 | H3 | 119.6° | 120.1° |
| C04 | C05 | O06 | H4 | 119.6° | 120.0° |
| C05 | C04 | O33 | C01 | 94.8° | 145.8° |
| C04 | C05 | O06 | P07 | 162.6° | 180.0° |
| C05 | C04 | C03 | H031 | 26.7° | 2.9° |
| C04 | C05 | H3 | H4 | 121.1° | 120.0° |
| O33 | C04 | C05 | O06 | 61.1° | 67.0° |
| C04 | O33 | C01 | C02 | 14.0° | 39.8° |
| C04 | O33 | C01 | N36 | 115.3° | 158.4° |
| C04 | O33 | C01 | H011 | 129.9° | 78.7° |
| O33 | C04 | C03 | H031 | 144.4° | 116.7° |
| O33 | C04 | C05 | H3 | 179.3° | 172.9° |
| O33 | C04 | C05 | H4 | 58.5° | 53.0° |
| O32 | P07 | O06 | C05 | 40.9° | 55.0° |
| O32 | P07 | O06 | O31 | 126.1° | 120.0° |
| O32 | P07 | O06 | O08 | 117.8° | 120.0° |
| O32 | P07 | O31 | O08 | 132.4° | 120.0° |
| O32 | P07 | O08 | P09 | 60.1° | 40.0° |
| O32 | P07 | O31 | H18 | 0.0° | 180.0° |
| C05 | O06 | P07 | O31 | 167.0° | 65.0° |
| C05 | O06 | P07 | O08 | 77.0° | 175.0° |
| O06 | C05 | C04 | H041 | 59.0° | 54.1° |
| O06 | C05 | H3 | H4 | 121.2° | 119.9° |
| O35 | C02 | C01 | O33 | 124.6° | 155.1° |
| O35 | C02 | C01 | H021 | 121.4° | 123.6° |
| O35 | C02 | C01 | N36 | 107.2° | 86.3° |
| O35 | C02 | C01 | H011 | 7.8° | 36.6° |
| O35 | C02 | C03 | H031 | 111.4° | 102.3° |
| O33 | C01 | C02 | N36 | 128.1° | 118.6° |
| O33 | C01 | C02 | H011 | 116.9° | 118.5° |
| O33 | C01 | N36 | H011 | 116.0° | 122.9° |
| O33 | C01 | N36 | C37 | 11.2° | 143.6° |
| O33 | C01 | N36 | C41 | 175.2° | 36.9° |
| O33 | C01 | C02 | H021 | 114.0° | 81.3° |
| C01 | O33 | C04 | H041 | 145.6° | 93.2° |
| O06 | P07 | O31 | O08 | 103.2° | 120.0° |
| O06 | P07 | O08 | P09 | 176.0° | 160.0° |
| P07 | O06 | C05 | H3 | 43.0° | 59.9° |
| P07 | O06 | C05 | H4 | 77.8° | 60.0° |
| O06 | P07 | O31 | H18 | 124.4° | 60.0° |
| O31 | P07 | O08 | P09 | 72.6° | 80.0° |
| C02 | C01 | N36 | H011 | 115.3° | 122.9° |
| C02 | C01 | N36 | C37 | 140.0° | 102.2° |
| C02 | C01 | N36 | C41 | 46.5° | 77.3° |
| C01 | C02 | C03 | H031 | 134.7° | 139.6° |
| C01 | C02 | O35 | H20 | 68.2° | 180.0° |
| P07 | O08 | P09 | O30 | 40.9° | 40.0° |
| P07 | O08 | P09 | O10 | 83.1° | 80.0° |
| P07 | O08 | P09 | O11 | 156.7° | 160.0° |
| O08 | P07 | O31 | H18 | 132.4° | 60.0° |
| C01 | N36 | C37 | C41 | 173.2° | 179.5° |
| C01 | N36 | C37 | C38 | 175.3° | 180.0° |
| C01 | N36 | C41 | C40 | 174.7° | 179.9° |
| N36 | C01 | C02 | H021 | 14.1° | 37.3° |
| C01 | N36 | C37 | H8 | 4.7° | 0.2° |
| C01 | N36 | C41 | H10 | 5.3° | 0.2° |
| O08 | P09 | O30 | O10 | 125.2° | 120.0° |
| O08 | P09 | O30 | O11 | 111.6° | 120.0° |
| O08 | P09 | O10 | O11 | 116.9° | 120.1° |
| O08 | P09 | O11 | C12 | 130.6° | 175.0° |
| O08 | P09 | O10 | H1 | 119.9° | 60.0° |
| N36 | C37 | C38 | H8 | 180.0° | 179.8° |
| C37 | N36 | C41 | C40 | 1.5° | 0.6° |
| N36 | C37 | C38 | C45 | 179.2° | 179.7° |
| N36 | C37 | C38 | C39 | 1.9° | 0.2° |
| C37 | N36 | C01 | H011 | 104.8° | 20.7° |
| C37 | N36 | C41 | H10 | 178.6° | 179.7° |
| C41 | N36 | C37 | C38 | 2.1° | 0.5° |
| N36 | C41 | C40 | H10 | 180.0° | 179.7° |
| N36 | C41 | C40 | C39 | 0.6° | 0.3° |
| C41 | N36 | C01 | H011 | 68.8° | 159.8° |
| C41 | N36 | C37 | H8 | 177.9° | 179.7° |
| N36 | C41 | C40 | H9 | 179.5° | 179.7° |
| C37 | C38 | C45 | C39 | 178.9° | 180.0° |
| C37 | C38 | C39 | C40 | 1.1° | 0.0° |
| C37 | C38 | C45 | C44 | 178.7° | 180.0° |
| C37 | C38 | C39 | C42 | 179.4° | 180.0° |
| C37 | C38 | C45 | H13 | 1.2° | 0.1° |
| O30 | P09 | O10 | O11 | 123.2° | 120.0° |
| O30 | P09 | O11 | C12 | 18.5° | 55.0° |
| O30 | P09 | O10 | H1 | 0.0° | 180.0° |
| O10 | P09 | O11 | C12 | 106.2° | 65.0° |
| P09 | O11 | C12 | C13 | 105.4° | 180.0° |
| O11 | P09 | O10 | H1 | 123.2° | 60.0° |
| P09 | O11 | C12 | H5 | 135.6° | 60.0° |
| P09 | O11 | C12 | H6 | 13.6° | 60.0° |
| C41 | C40 | C39 | C38 | 0.4° | 0.0° |
| C41 | C40 | C39 | H9 | 180.0° | 179.9° |
| C41 | C40 | C39 | C42 | 179.9° | 180.0° |
| C45 | C38 | C39 | C40 | 180.0° | 180.0° |
| C38 | C45 | C44 | H13 | 180.0° | 179.9° |
| C45 | C38 | C39 | C42 | 0.6° | 0.0° |
| C38 | C45 | C44 | C43 | 1.5° | 0.1° |
| C45 | C38 | C37 | H8 | 0.8° | 0.0° |
| C38 | C45 | C44 | H12 | 178.5° | 180.0° |
| C38 | C39 | C40 | C42 | 179.4° | 180.0° |
| C39 | C38 | C45 | C44 | 0.2° | 0.1° |
| C38 | C39 | C42 | C43 | 0.1° | 0.0° |
| C38 | C39 | C42 | I46 | 179.5° | 180.0° |
| C39 | C38 | C37 | H8 | 178.1° | 180.0° |
| C38 | C39 | C40 | H9 | 179.6° | 180.0° |
| C39 | C38 | C45 | H13 | 179.9° | 180.0° |
| O11 | C12 | C13 | H5 | 119.0° | 120.0° |
| O11 | C12 | C13 | H6 | 119.0° | 120.0° |
| O11 | C12 | C13 | O17 | 66.9° | 66.4° |
| O11 | C12 | C13 | C14 | 175.2° | 175.7° |
| O11 | C12 | C13 | H131 | 54.4° | 54.6° |
| O11 | C12 | H5 | H6 | 122.9° | 120.0° |
| C40 | C39 | C42 | C43 | 179.4° | 180.0° |
| C40 | C39 | C42 | I46 | 0.1° | 0.0° |
| C39 | C40 | C41 | H10 | 179.5° | 180.0° |
| C45 | C44 | C43 | H12 | 180.0° | 179.9° |
| C45 | C44 | C43 | C42 | 2.1° | 0.0° |
| C45 | C44 | C43 | H11 | 177.9° | 179.9° |
| C39 | C42 | C43 | C44 | 1.4° | 0.0° |
| C39 | C42 | C43 | I46 | 179.5° | 180.0° |
| C42 | C39 | C40 | H9 | 0.1° | 0.0° |
| C39 | C42 | C43 | H11 | 178.6° | 179.9° |
| C12 | C13 | O17 | C14 | 117.6° | 119.5° |
| C12 | C13 | O17 | H131 | 120.7° | 121.1° |
| C12 | C13 | C14 | H131 | 120.8° | 121.1° |
| C12 | C13 | C14 | O29 | 92.8° | 119.8° |
| C12 | C13 | O17 | C16 | 142.2° | 145.9° |
| C12 | C13 | C14 | C15 | 149.4° | 121.4° |
| C13 | C12 | H5 | H6 | 122.8° | 120.0° |
| C12 | C13 | C14 | H141 | 31.5° | 2.8° |
| C44 | C43 | C42 | H11 | 180.0° | 179.9° |
| C44 | C43 | C42 | I46 | 179.1° | 180.0° |
| C43 | C44 | C45 | H13 | 178.5° | 180.0° |
| O17 | C13 | C14 | H131 | 122.2° | 119.4° |
| O17 | C13 | C14 | O29 | 150.2° | 120.7° |
| O17 | C13 | C14 | C15 | 32.4° | 2.0° |
| C13 | O17 | C16 | C15 | 6.3° | 40.0° |
| C13 | O17 | C16 | N18 | 129.0° | 158.6° |
| C13 | O17 | C16 | H161 | 112.6° | 78.6° |
| O17 | C13 | C12 | H5 | 52.1° | 173.6° |
| O17 | C13 | C12 | H6 | 174.1° | 53.6° |
| O17 | C13 | C14 | H141 | 85.4° | 116.7° |
| C13 | C14 | O29 | C15 | 111.3° | 114.8° |
| C13 | C14 | O29 | H141 | 123.5° | 122.6° |
| C14 | C13 | O17 | C16 | 24.5° | 26.4° |
| C13 | C14 | C15 | H141 | 117.9° | 118.6° |
| C13 | C14 | C15 | C16 | 26.3° | 20.9° |
| C13 | C14 | C15 | O28 | 91.4° | 139.1° |
| C13 | C14 | C15 | H151 | 144.3° | 97.3° |
| C14 | C13 | C12 | H5 | 65.8° | 55.7° |
| C14 | C13 | C12 | H6 | 56.2° | 64.3° |
| C13 | C14 | O29 | H17 | 180.0° | 180.0° |
| C42 | C43 | C44 | H12 | 177.8° | 179.9° |
| I46 | C42 | C43 | H11 | 0.9° | 0.1° |
| O29 | C14 | C15 | H141 | 126.0° | 122.7° |
| O29 | C14 | C15 | C16 | 142.5° | 97.7° |
| O29 | C14 | C15 | O28 | 24.7° | 20.4° |
| O29 | C14 | C13 | H131 | 28.0° | 1.3° |
| O29 | C14 | C15 | H151 | 99.6° | 144.0° |
| O17 | C16 | C15 | C14 | 13.6° | 37.1° |
| O17 | C16 | C15 | N18 | 120.9° | 118.5° |
| O17 | C16 | C15 | H161 | 119.9° | 118.7° |
| O17 | C16 | N18 | H161 | 118.9° | 123.0° |
| O17 | C16 | C15 | O28 | 103.9° | 155.2° |
| O17 | C16 | N18 | C19 | 82.7° | 19.2° |
| O17 | C16 | N18 | C22 | 97.7° | 160.9° |
| C16 | O17 | C13 | H131 | 97.1° | 93.0° |
| O17 | C16 | C15 | H151 | 131.8° | 81.3° |
| C14 | C15 | C16 | O28 | 117.6° | 118.2° |
| C14 | C15 | C16 | H151 | 118.1° | 118.3° |
| C14 | C15 | C16 | N18 | 107.3° | 155.6° |
| C14 | C15 | O28 | H151 | 123.5° | 123.7° |
| C15 | C14 | C13 | H131 | 89.8° | 117.4° |
| C14 | C15 | C16 | H161 | 133.5° | 81.6° |
| C14 | C15 | O28 | H16 | 180.0° | 64.3° |
| C15 | C14 | O29 | H17 | 68.7° | 65.3° |
| C15 | C16 | N18 | H161 | 118.7° | 122.9° |
| C16 | C15 | O28 | H151 | 123.4° | 123.6° |
| C15 | C16 | N18 | C19 | 39.7° | 94.9° |
| C15 | C16 | N18 | C22 | 139.9° | 85.0° |
| C16 | C15 | C14 | H141 | 91.6° | 139.5° |
| C16 | C15 | O28 | H16 | 66.9° | 177.0° |
| N18 | C16 | C15 | O28 | 135.1° | 86.3° |
| C16 | N18 | C19 | C22 | 179.6° | 179.9° |
| C16 | N18 | C19 | N20 | 180.0° | 179.9° |
| C16 | N18 | C22 | N23 | 0.4° | 0.2° |
| C16 | N18 | C22 | C21 | 179.4° | 179.7° |
| N18 | C16 | C15 | H151 | 10.8° | 37.2° |
| C16 | N18 | C19 | H2 | 0.0° | 0.3° |
| O28 | C15 | C16 | H161 | 15.9° | 36.6° |
| O28 | C15 | C14 | H141 | 150.7° | 102.3° |
| N18 | C19 | N20 | H2 | 180.0° | 179.8° |
| C19 | N18 | C22 | N23 | 179.9° | 179.8° |
| C19 | N18 | C22 | C21 | 0.2° | 0.3° |
| N18 | C19 | N20 | C21 | 0.7° | 0.3° |
| C19 | N18 | C16 | H161 | 158.4° | 142.2° |
| C22 | N18 | C19 | N20 | 0.3° | 0.0° |
| N18 | C22 | N23 | C21 | 179.9° | 179.9° |
| N18 | C22 | N23 | C24 | 179.9° | 180.0° |
| N18 | C22 | C21 | N20 | 0.7° | 0.4° |
| N18 | C22 | C21 | C26 | 179.5° | 179.9° |
| C22 | N18 | C16 | H161 | 21.1° | 37.9° |
| C22 | N18 | C19 | H2 | 179.7° | 179.8° |
| C19 | N20 | C21 | C22 | 0.9° | 0.4° |
| C19 | N20 | C21 | C26 | 179.4° | 179.8° |
| N23 | C22 | C21 | N20 | 179.4° | 179.6° |
| N23 | C22 | C21 | C26 | 0.4° | 0.1° |
| C22 | N23 | C24 | N25 | 0.6° | 0.1° |
| C22 | N23 | C24 | H7 | 179.4° | 179.9° |
| C21 | C22 | N23 | C24 | 0.0° | 0.1° |
| C22 | C21 | N20 | C26 | 179.7° | 179.4° |
| C22 | C21 | C26 | N25 | 0.2° | 0.1° |
| C22 | C21 | C26 | N27 | 179.3° | 179.9° |
| N23 | C24 | N25 | H7 | 180.0° | 179.9° |
| N23 | C24 | N25 | C26 | 0.8° | 0.1° |
| N20 | C21 | C26 | N25 | 179.5° | 179.4° |
| N20 | C21 | C26 | N27 | 1.0° | 0.6° |
| C21 | N20 | C19 | H2 | 179.3° | 179.9° |
| C21 | C26 | N25 | C24 | 0.4° | 0.1° |
| C21 | C26 | N25 | N27 | 179.4° | 180.0° |
| C21 | C26 | N27 | H14 | 179.4° | 0.1° |
| C21 | C26 | N27 | H15 | 60.6° | 179.9° |
| C24 | N25 | C26 | N27 | 179.8° | 179.9° |
| C26 | N25 | C24 | H7 | 179.2° | 180.0° |
| N25 | C26 | N27 | H14 | 0.0° | 179.9° |
| N25 | C26 | N27 | H15 | 120.0° | 0.1° |
| C26 | N27 | H14 | H15 | 120.0° | 180.0° |
| H131 | C13 | C12 | H5 | 173.4° | 65.4° |
| H131 | C13 | C12 | H6 | 64.6° | 174.6° |
| H131 | C13 | C14 | H141 | 152.4° | 123.9° |
| H151 | C15 | C16 | H161 | 108.4° | 160.1° |
| H151 | C15 | C14 | H141 | 26.4° | 21.3° |
| H151 | C15 | O28 | H16 | 56.5° | 59.4° |
| H011 | C01 | C02 | H021 | 129.1° | 160.2° |
| H021 | C02 | C03 | H031 | 17.0° | 21.4° |
| H021 | C02 | O35 | H20 | 52.2° | 56.4° |
| H031 | C03 | C04 | H041 | 95.6° | 123.9° |
| H031 | C03 | O34 | H19 | 58.3° | 57.3° |
| H041 | C04 | C05 | H3 | 60.7° | 66.0° |
| H041 | C04 | C05 | H4 | 178.6° | 174.0° |
| H141 | C14 | O29 | H17 | 56.5° | 57.4° |
| H9 | C40 | C41 | H10 | 0.5° | 0.1° |
| H11 | C43 | C44 | H12 | 2.1° | 0.0° |
| H12 | C44 | C45 | H13 | 1.5° | 0.1° |
