YQM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | sing | 1.55Å | 1.53Å | |
| C37 | C36 | sing | 1.54Å | 1.50Å | |
| C38 | C39 | sing | 1.55Å | 1.53Å | |
| C36 | N35 | sing | 1.47Å | 1.52Å | |
| C39 | N35 | sing | 1.48Å | 1.47Å | |
| N35 | C34 | sing | 1.47Å | 1.45Å | |
| C34 | C32 | sing | 1.51Å | 1.58Å | |
| C32 | N31 | sing | 1.35Å | 1.45Å | |
| C32 | O33 | doub | 1.21Å | 1.22Å | |
| N31 | C12 | sing | 1.40Å | 1.49Å | |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| F40 | C10 | sing | 1.35Å | 1.35Å | |
| C10 | C09 | doub | 1.38Å | 1.45Å | Aromatic |
| C13 | O30 | sing | 1.36Å | 1.38Å | |
| C13 | C14 | doub | 1.40Å | 1.49Å | Aromatic |
| C09 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.55Å | |
| C14 | C15 | sing | 1.47Å | 1.58Å | |
| C08 | C07 | sing | 1.53Å | 1.59Å | |
| C15 | O29 | sing | 1.35Å | 1.37Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | |
| C07 | C16 | sing | 1.50Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.58Å | |
| C16 | C17 | sing | 1.39Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| C17 | C19 | sing | 1.50Å | 1.65Å | |
| C03 | N02 | sing | 1.47Å | 1.50Å | |
| C05 | C19 | sing | 1.51Å | 1.57Å | |
| C05 | C04 | sing | 1.52Å | 1.61Å | |
| C19 | O28 | sing | 1.43Å | 1.40Å | |
| C19 | C20 | sing | 1.50Å | 1.64Å | |
| C04 | N02 | sing | 1.47Å | 1.53Å | |
| C04 | C22 | sing | 1.50Å | 1.59Å | |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| O27 | C20 | sing | 1.34Å | 1.37Å | |
| C20 | C21 | doub | 1.37Å | 1.41Å | |
| C22 | C21 | sing | 1.46Å | 1.53Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C21 | C24 | sing | 1.47Å | 1.60Å | |
| C24 | N26 | sing | 1.35Å | 1.42Å | |
| C24 | O25 | doub | 1.22Å | 1.23Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C38 | H25 | sing | 1.09Å | 1.10Å | |
| C38 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| N26 | H30 | sing | 0.97Å | 1.00Å | |
| N26 | H31 | sing | 0.97Å | 1.00Å | |
| N31 | H32 | sing | 0.97Å | 1.00Å | |
| O27 | H34 | sing | 0.97Å | 0.95Å | |
| O28 | H35 | sing | 0.97Å | 0.95Å | |
| O29 | H36 | sing | 0.97Å | 0.95Å | |
| O30 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 104.5° | 103.0° |
| C37 | C38 | C39 | 107.5° | 101.7° |
| C38 | C37 | H23 | 110.7° | 110.7° |
| C38 | C37 | H24 | 110.7° | 110.7° |
| C37 | C38 | H25 | 109.9° | 111.0° |
| C37 | C38 | H26 | 109.9° | 111.0° |
| C37 | C36 | N35 | 101.7° | 107.3° |
| C37 | C36 | H21 | 111.4° | 109.9° |
| C37 | C36 | H22 | 111.4° | 110.0° |
| C36 | C37 | H23 | 110.7° | 110.7° |
| C36 | C37 | H24 | 110.7° | 110.7° |
| C38 | C39 | N35 | 103.4° | 104.8° |
| C39 | C38 | H25 | 109.9° | 110.9° |
| C39 | C38 | H26 | 110.0° | 111.0° |
| C38 | C39 | H27 | 110.9° | 110.4° |
| C38 | C39 | H28 | 110.9° | 110.4° |
| C36 | N35 | C39 | 107.6° | 108.5° |
| C36 | N35 | C34 | 110.9° | 111.0° |
| N35 | C36 | H21 | 111.4° | 109.9° |
| N35 | C36 | H22 | 111.4° | 109.9° |
| C39 | N35 | C34 | 103.6° | 111.0° |
| N35 | C39 | H27 | 111.0° | 110.3° |
| N35 | C39 | H28 | 111.0° | 110.3° |
| N35 | C34 | C32 | 113.3° | 109.5° |
| N35 | C34 | H19 | 108.5° | 109.5° |
| N35 | C34 | H20 | 108.5° | 109.5° |
| C34 | C32 | N31 | 127.3° | 120.0° |
| C34 | C32 | O33 | 112.9° | 120.0° |
| C32 | C34 | H19 | 108.5° | 109.5° |
| C32 | C34 | H20 | 108.5° | 109.5° |
| N31 | C32 | O33 | 119.7° | 120.0° |
| C32 | N31 | C12 | 128.0° | 120.0° |
| C32 | N31 | H32 | 116.0° | 120.0° |
| N31 | C12 | C11 | 119.4° | 119.9° |
| N31 | C12 | C13 | 125.8° | 120.0° |
| C12 | N31 | H32 | 116.0° | 120.0° |
| C12 | C11 | C10 | 120.9° | 120.4° |
| C11 | C12 | C13 | 114.8° | 120.1° |
| C12 | C11 | H14 | 119.6° | 119.8° |
| C11 | C10 | F40 | 115.9° | 119.9° |
| C11 | C10 | C09 | 125.2° | 120.2° |
| C10 | C11 | H14 | 119.6° | 119.8° |
| C12 | C13 | O30 | 117.5° | 120.3° |
| C12 | C13 | C14 | 124.5° | 119.5° |
| F40 | C10 | C09 | 119.0° | 119.9° |
| C10 | C09 | C14 | 116.2° | 120.0° |
| C10 | C09 | C08 | 123.8° | 120.4° |
| O30 | C13 | C14 | 118.1° | 120.3° |
| C13 | O30 | H37 | 109.5° | 114.0° |
| C13 | C14 | C09 | 118.6° | 119.9° |
| C13 | C14 | C15 | 124.9° | 120.7° |
| C14 | C09 | C08 | 120.0° | 119.5° |
| C09 | C14 | C15 | 116.5° | 119.4° |
| C09 | C08 | C07 | 113.5° | 110.1° |
| C09 | C08 | H12 | 108.4° | 109.4° |
| C09 | C08 | H13 | 108.5° | 109.3° |
| C14 | C15 | O29 | 113.5° | 120.3° |
| C14 | C15 | C16 | 123.6° | 119.5° |
| C08 | C07 | C16 | 109.9° | 110.8° |
| C08 | C07 | C06 | 110.1° | 109.4° |
| C08 | C07 | H11 | 106.6° | 108.6° |
| C07 | C08 | H12 | 108.4° | 109.3° |
| C07 | C08 | H13 | 108.4° | 109.4° |
| O29 | C15 | C16 | 122.8° | 120.3° |
| C15 | O29 | H36 | 109.5° | 114.0° |
| C15 | C16 | C07 | 116.7° | 119.6° |
| C15 | C16 | C17 | 128.0° | 118.9° |
| C16 | C07 | C06 | 116.0° | 109.6° |
| C07 | C16 | C17 | 110.8° | 121.5° |
| C16 | C07 | H11 | 107.1° | 109.2° |
| C07 | C06 | C05 | 118.3° | 108.6° |
| C07 | C06 | H9 | 107.2° | 109.6° |
| C07 | C06 | H10 | 107.2° | 109.7° |
| C06 | C07 | H11 | 106.6° | 109.2° |
| C16 | C17 | O18 | 128.5° | 118.2° |
| C16 | C17 | C19 | 120.8° | 123.6° |
| C06 | C05 | C19 | 108.6° | 110.7° |
| C06 | C05 | C04 | 109.2° | 110.7° |
| C06 | C05 | H8 | 108.1° | 106.5° |
| C05 | C06 | H9 | 107.2° | 109.6° |
| C05 | C06 | H10 | 107.2° | 109.7° |
| O18 | C17 | C19 | 110.7° | 118.2° |
| C17 | C19 | C05 | 109.7° | 111.6° |
| C17 | C19 | O28 | 107.1° | 107.6° |
| C17 | C19 | C20 | 113.8° | 109.8° |
| C03 | N02 | C04 | 115.9° | 111.0° |
| C03 | N02 | C01 | 108.2° | 111.0° |
| N02 | C03 | H4 | 109.5° | 109.5° |
| N02 | C03 | H5 | 109.5° | 109.4° |
| N02 | C03 | H6 | 109.5° | 109.4° |
| C19 | C05 | C04 | 115.9° | 113.7° |
| C05 | C19 | O28 | 107.9° | 107.7° |
| C05 | C19 | C20 | 111.6° | 113.0° |
| C19 | C05 | H8 | 107.7° | 107.5° |
| C05 | C04 | N02 | 110.4° | 109.2° |
| C05 | C04 | C22 | 111.4° | 111.1° |
| C05 | C04 | H7 | 107.5° | 109.2° |
| C04 | C05 | H8 | 107.1° | 107.4° |
| O28 | C19 | C20 | 106.4° | 106.9° |
| C19 | O28 | H35 | 109.5° | 113.9° |
| C19 | C20 | O27 | 108.8° | 118.6° |
| C19 | C20 | C21 | 119.0° | 122.8° |
| N02 | C04 | C22 | 111.1° | 109.1° |
| C04 | N02 | C01 | 112.0° | 111.0° |
| N02 | C04 | H7 | 108.6° | 109.1° |
| C04 | C22 | C21 | 123.0° | 119.7° |
| C04 | C22 | O23 | 114.9° | 120.2° |
| C22 | C04 | H7 | 107.8° | 109.1° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.4° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| O27 | C20 | C21 | 127.3° | 118.6° |
| C20 | O27 | H34 | 109.5° | 117.0° |
| C20 | C21 | C22 | 117.2° | 120.1° |
| C20 | C21 | C24 | 125.1° | 119.9° |
| C21 | C22 | O23 | 122.1° | 120.1° |
| C22 | C21 | C24 | 116.8° | 119.9° |
| C21 | C24 | N26 | 127.1° | 120.0° |
| C21 | C24 | O25 | 118.3° | 119.9° |
| N26 | C24 | O25 | 114.6° | 120.1° |
| C24 | N26 | H30 | 120.0° | 120.0° |
| C24 | N26 | H31 | 120.0° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.6° |
| H12 | C08 | H13 | 109.5° | 109.3° |
| H19 | C34 | H20 | 109.4° | 109.5° |
| H21 | C36 | H22 | 109.4° | 109.9° |
| H23 | C37 | H24 | 109.5° | 110.7° |
| H25 | C38 | H26 | 109.5° | 110.9° |
| H27 | C39 | H28 | 109.5° | 110.4° |
| H30 | N26 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H23 | 119.2° | 118.4° |
| C38 | C37 | C36 | H24 | 119.2° | 118.4° |
| C37 | C38 | C39 | H25 | 119.7° | 118.1° |
| C37 | C38 | C39 | H26 | 119.7° | 118.1° |
| C38 | C37 | C36 | N35 | 34.3° | 22.3° |
| C37 | C38 | C39 | N35 | 5.6° | 37.1° |
| C38 | C37 | C36 | H21 | 153.0° | 97.1° |
| C38 | C37 | C36 | H22 | 84.5° | 141.8° |
| C38 | C37 | H23 | H24 | 122.3° | 123.2° |
| C37 | C38 | H25 | H26 | 120.9° | 123.9° |
| C37 | C38 | C39 | H27 | 113.5° | 81.7° |
| C37 | C38 | C39 | H28 | 124.6° | 155.9° |
| C36 | C37 | C38 | C39 | 18.6° | 35.7° |
| C37 | C36 | N35 | H21 | 118.7° | 119.5° |
| C37 | C36 | N35 | H22 | 118.8° | 119.5° |
| C37 | C36 | N35 | C39 | 39.8° | 1.0° |
| C37 | C36 | N35 | C34 | 152.5° | 123.2° |
| C37 | C36 | H21 | H22 | 123.6° | 121.2° |
| C36 | C37 | H23 | H24 | 122.3° | 123.2° |
| C36 | C37 | C38 | H25 | 101.1° | 153.7° |
| C36 | C37 | C38 | H26 | 138.3° | 82.4° |
| C38 | C39 | N35 | C36 | 27.9° | 24.1° |
| C38 | C39 | N35 | H27 | 119.0° | 118.9° |
| C38 | C39 | N35 | H28 | 119.0° | 118.8° |
| C38 | C39 | N35 | C34 | 145.4° | 146.4° |
| C39 | C38 | C37 | H23 | 100.7° | 82.7° |
| C39 | C38 | C37 | H24 | 137.8° | 154.1° |
| C39 | C38 | H25 | H26 | 120.9° | 123.8° |
| C38 | C39 | H27 | H28 | 122.8° | 122.4° |
| C36 | N35 | C39 | C34 | 117.5° | 122.3° |
| C36 | N35 | C34 | C32 | 170.0° | 170.0° |
| C36 | N35 | C34 | H19 | 49.4° | 70.0° |
| C36 | N35 | C34 | H20 | 69.5° | 50.0° |
| N35 | C36 | H21 | H22 | 123.6° | 121.0° |
| N35 | C36 | C37 | H23 | 84.9° | 96.1° |
| N35 | C36 | C37 | H24 | 153.5° | 140.7° |
| C36 | N35 | C39 | H27 | 91.1° | 94.8° |
| C36 | N35 | C39 | H28 | 146.9° | 142.9° |
| C39 | N35 | C34 | C32 | 74.8° | 69.2° |
| C39 | N35 | C34 | H19 | 164.6° | 50.9° |
| C39 | N35 | C34 | H20 | 45.8° | 170.9° |
| C39 | N35 | C36 | H21 | 158.5° | 120.4° |
| C39 | N35 | C36 | H22 | 79.0° | 118.6° |
| N35 | C39 | C38 | H25 | 125.3° | 155.2° |
| N35 | C39 | C38 | H26 | 114.1° | 81.0° |
| N35 | C39 | H27 | H28 | 122.8° | 122.2° |
| N35 | C34 | C32 | H19 | 120.6° | 120.0° |
| N35 | C34 | C32 | H20 | 120.6° | 120.0° |
| N35 | C34 | C32 | N31 | 41.3° | 180.0° |
| N35 | C34 | C32 | O33 | 139.2° | 0.1° |
| N35 | C34 | H19 | H20 | 118.2° | 120.0° |
| C34 | N35 | C36 | H21 | 88.8° | 117.3° |
| C34 | N35 | C36 | H22 | 33.7° | 3.7° |
| C34 | N35 | C39 | H27 | 26.4° | 27.5° |
| C34 | N35 | C39 | H28 | 95.6° | 94.8° |
| C34 | C32 | N31 | O33 | 179.5° | 179.9° |
| C34 | C32 | N31 | C12 | 179.2° | 176.4° |
| C32 | C34 | H19 | H20 | 118.3° | 120.0° |
| C34 | C32 | N31 | H32 | 0.8° | 3.6° |
| C32 | N31 | C12 | H32 | 180.0° | 179.9° |
| C32 | N31 | C12 | C11 | 169.5° | 25.7° |
| C32 | N31 | C12 | C13 | 11.7° | 154.2° |
| N31 | C32 | C34 | H19 | 79.3° | 60.0° |
| N31 | C32 | C34 | H20 | 161.8° | 60.0° |
| O33 | C32 | N31 | C12 | 0.3° | 3.7° |
| O33 | C32 | C34 | H19 | 100.2° | 119.9° |
| O33 | C32 | C34 | H20 | 18.6° | 120.0° |
| O33 | C32 | N31 | H32 | 179.7° | 176.3° |
| N31 | C12 | C11 | C13 | 179.0° | 180.0° |
| N31 | C12 | C11 | C10 | 179.4° | 179.7° |
| N31 | C12 | C13 | O30 | 0.8° | 0.1° |
| N31 | C12 | C13 | C14 | 179.4° | 180.0° |
| N31 | C12 | C11 | H14 | 0.6° | 0.3° |
| C12 | C11 | C10 | H14 | 180.0° | 180.0° |
| C12 | C11 | C10 | F40 | 179.6° | 180.0° |
| C12 | C11 | C10 | C09 | 0.0° | 0.0° |
| C11 | C12 | C13 | O30 | 179.7° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.0° |
| C11 | C12 | N31 | H32 | 10.5° | 154.3° |
| C10 | C11 | C12 | C13 | 0.5° | 0.3° |
| C11 | C10 | F40 | C09 | 179.6° | 180.0° |
| C11 | C10 | C09 | C14 | 0.4° | 0.6° |
| C11 | C10 | C09 | C08 | 180.0° | 179.0° |
| C12 | C13 | O30 | C14 | 179.8° | 179.9° |
| C12 | C13 | C14 | C09 | 0.0° | 0.6° |
| C12 | C13 | C14 | C15 | 179.6° | 178.4° |
| C13 | C12 | C11 | H14 | 179.6° | 179.7° |
| C13 | C12 | N31 | H32 | 168.3° | 25.7° |
| C12 | C13 | O30 | H37 | 11.9° | 90.0° |
| F40 | C10 | C09 | C14 | 180.0° | 179.4° |
| F40 | C10 | C09 | C08 | 0.4° | 1.0° |
| F40 | C10 | C11 | H14 | 0.4° | 0.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.9° |
| C10 | C09 | C14 | C08 | 179.6° | 179.6° |
| C10 | C09 | C14 | C15 | 179.9° | 178.1° |
| C10 | C09 | C08 | C07 | 148.3° | 144.1° |
| C10 | C09 | C08 | H12 | 27.7° | 95.7° |
| C10 | C09 | C08 | H13 | 91.1° | 24.0° |
| C09 | C10 | C11 | H14 | 180.0° | 180.0° |
| O30 | C13 | C14 | C09 | 179.8° | 179.5° |
| O30 | C13 | C14 | C15 | 0.2° | 1.6° |
| C13 | C14 | C09 | C15 | 179.7° | 179.0° |
| C13 | C14 | C09 | C08 | 180.0° | 178.7° |
| C13 | C14 | C15 | O29 | 16.1° | 17.1° |
| C13 | C14 | C15 | C16 | 167.2° | 163.0° |
| C14 | C13 | O30 | H37 | 167.9° | 89.9° |
| C14 | C09 | C08 | C07 | 32.1° | 36.3° |
| C09 | C14 | C15 | O29 | 164.2° | 164.0° |
| C09 | C14 | C15 | C16 | 12.4° | 16.0° |
| C14 | C09 | C08 | H12 | 152.7° | 83.9° |
| C14 | C09 | C08 | H13 | 88.5° | 156.4° |
| C08 | C09 | C14 | C15 | 0.3° | 2.3° |
| C09 | C08 | C07 | H12 | 120.6° | 120.2° |
| C09 | C08 | C07 | H13 | 120.6° | 120.1° |
| C09 | C08 | C07 | C16 | 51.2° | 51.8° |
| C09 | C08 | C07 | C06 | 179.8° | 172.7° |
| C09 | C08 | C07 | H11 | 64.6° | 68.2° |
| C09 | C08 | H12 | H13 | 118.2° | 119.6° |
| C14 | C15 | O29 | C16 | 176.7° | 180.0° |
| C14 | C15 | C16 | C07 | 9.5° | 3.0° |
| C14 | C15 | C16 | C17 | 163.4° | 177.1° |
| C14 | C15 | O29 | H36 | 180.0° | 65.0° |
| C08 | C07 | C16 | C15 | 40.0° | 37.3° |
| C08 | C07 | C16 | C06 | 125.7° | 120.8° |
| C08 | C07 | C16 | H11 | 115.4° | 119.6° |
| C08 | C07 | C06 | H11 | 115.2° | 118.7° |
| C08 | C07 | C16 | C17 | 161.7° | 142.8° |
| C08 | C07 | C06 | C05 | 173.3° | 176.2° |
| C08 | C07 | C06 | H9 | 65.5° | 56.5° |
| C08 | C07 | C06 | H10 | 52.0° | 64.0° |
| C07 | C08 | H12 | H13 | 118.1° | 119.7° |
| O29 | C15 | C16 | C07 | 174.1° | 177.0° |
| O29 | C15 | C16 | C17 | 20.2° | 2.9° |
| C15 | C16 | C07 | C17 | 158.3° | 179.9° |
| C15 | C16 | C07 | C06 | 165.7° | 158.1° |
| C15 | C16 | C17 | O18 | 14.0° | 0.9° |
| C15 | C16 | C17 | C19 | 165.8° | 179.1° |
| C15 | C16 | C07 | H11 | 75.4° | 82.3° |
| C16 | C15 | O29 | H36 | 3.3° | 115.0° |
| C16 | C07 | C06 | H11 | 119.2° | 119.6° |
| C16 | C07 | C06 | C05 | 47.7° | 54.5° |
| C07 | C16 | C17 | O18 | 141.1° | 179.2° |
| C07 | C16 | C17 | C19 | 39.1° | 0.8° |
| C16 | C07 | C06 | H9 | 169.0° | 65.2° |
| C16 | C07 | C06 | H10 | 73.6° | 174.3° |
| C16 | C07 | C08 | H12 | 171.8° | 68.4° |
| C16 | C07 | C08 | H13 | 69.5° | 171.9° |
| C06 | C07 | C16 | C17 | 36.1° | 22.0° |
| C07 | C06 | C05 | H9 | 121.3° | 119.7° |
| C07 | C06 | C05 | H10 | 121.2° | 119.9° |
| C07 | C06 | C05 | C19 | 54.2° | 67.7° |
| C07 | C06 | C05 | C04 | 178.5° | 165.3° |
| C07 | C06 | C05 | H8 | 62.3° | 48.8° |
| C07 | C06 | H9 | H10 | 116.0° | 120.5° |
| C06 | C07 | C08 | H12 | 59.2° | 52.5° |
| C06 | C07 | C08 | H13 | 59.5° | 67.2° |
| C16 | C17 | O18 | C19 | 179.8° | 180.0° |
| C16 | C17 | C19 | C05 | 48.0° | 9.8° |
| C16 | C17 | C19 | O28 | 164.8° | 127.8° |
| C16 | C17 | C19 | C20 | 77.9° | 116.2° |
| C17 | C16 | C07 | H11 | 82.9° | 97.6° |
| C06 | C05 | C19 | C17 | 50.3° | 43.3° |
| C06 | C05 | C19 | C04 | 123.3° | 125.3° |
| C06 | C05 | C19 | H8 | 116.8° | 115.9° |
| C06 | C05 | C04 | H8 | 116.8° | 115.9° |
| C06 | C05 | C19 | O28 | 166.6° | 161.2° |
| C06 | C05 | C19 | C20 | 76.8° | 81.0° |
| C06 | C05 | C04 | N02 | 129.1° | 164.7° |
| C06 | C05 | C04 | C22 | 107.0° | 74.9° |
| C06 | C05 | C04 | H7 | 10.9° | 45.5° |
| C05 | C06 | H9 | H10 | 116.0° | 120.4° |
| C05 | C06 | C07 | H11 | 71.5° | 65.1° |
| O18 | C17 | C19 | C05 | 132.2° | 170.2° |
| O18 | C17 | C19 | O28 | 15.3° | 52.2° |
| O18 | C17 | C19 | C20 | 101.9° | 63.8° |
| C17 | C19 | C05 | O28 | 116.3° | 117.9° |
| C17 | C19 | C05 | C20 | 127.1° | 124.3° |
| C17 | C19 | C05 | C04 | 173.6° | 168.6° |
| C17 | C19 | O28 | C20 | 122.1° | 117.9° |
| C17 | C19 | C20 | O27 | 10.9° | 35.4° |
| C17 | C19 | C20 | C21 | 167.9° | 144.6° |
| C17 | C19 | C05 | H8 | 66.5° | 72.6° |
| C17 | C19 | O28 | H35 | 7.4° | 59.6° |
| C03 | N02 | C04 | C05 | 68.4° | 176.2° |
| C03 | N02 | C04 | C01 | 124.8° | 124.0° |
| C03 | N02 | C04 | C22 | 167.6° | 54.6° |
| C03 | N02 | C01 | H1 | 180.0° | 51.5° |
| C03 | N02 | C01 | H2 | 60.0° | 171.6° |
| C03 | N02 | C01 | H3 | 60.0° | 68.5° |
| N02 | C03 | H4 | H5 | 120.0° | 119.9° |
| N02 | C03 | H4 | H6 | 120.0° | 120.0° |
| N02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | N02 | C04 | H7 | 49.2° | 64.6° |
| C19 | C05 | C04 | H8 | 120.2° | 118.8° |
| C05 | C19 | O28 | C20 | 119.9° | 121.7° |
| C19 | C05 | C04 | N02 | 107.9° | 70.0° |
| C19 | C05 | C04 | C22 | 16.0° | 50.4° |
| C05 | C19 | C20 | O27 | 113.9° | 160.7° |
| C05 | C19 | C20 | C21 | 43.1° | 19.3° |
| C19 | C05 | C04 | H7 | 133.8° | 170.8° |
| C19 | C05 | C06 | H9 | 175.5° | 52.0° |
| C19 | C05 | C06 | H10 | 67.0° | 172.4° |
| C05 | C19 | O28 | H35 | 125.4° | 180.0° |
| C04 | C05 | C19 | O28 | 70.1° | 73.5° |
| C04 | C05 | C19 | C20 | 46.5° | 44.3° |
| C05 | C04 | N02 | C22 | 124.1° | 121.6° |
| C05 | C04 | N02 | H7 | 117.6° | 119.2° |
| C05 | C04 | C22 | H7 | 117.7° | 120.4° |
| C05 | C04 | N02 | C01 | 56.5° | 59.8° |
| C05 | C04 | C22 | C21 | 23.3° | 32.3° |
| C05 | C04 | C22 | O23 | 156.4° | 147.7° |
| C04 | C05 | C06 | H9 | 57.3° | 75.0° |
| C04 | C05 | C06 | H10 | 60.2° | 45.4° |
| O28 | C19 | C20 | O27 | 128.6° | 81.0° |
| O28 | C19 | C20 | C21 | 74.4° | 98.9° |
| O28 | C19 | C05 | H8 | 49.8° | 45.3° |
| C19 | C20 | O27 | C21 | 154.5° | 180.0° |
| C19 | C20 | C21 | C22 | 6.1° | 0.8° |
| C19 | C20 | C21 | C24 | 162.6° | 179.2° |
| C20 | C19 | C05 | H8 | 166.4° | 163.1° |
| C19 | C20 | O27 | H34 | 180.0° | 175.0° |
| C20 | C19 | O28 | H35 | 114.6° | 58.3° |
| N02 | C04 | C22 | H7 | 118.8° | 119.2° |
| N02 | C04 | C22 | C21 | 146.8° | 88.1° |
| N02 | C04 | C22 | O23 | 32.9° | 91.8° |
| C04 | N02 | C01 | H1 | 51.0° | 175.5° |
| C04 | N02 | C01 | H2 | 69.0° | 64.4° |
| C04 | N02 | C01 | H3 | 171.0° | 55.5° |
| C04 | N02 | C03 | H4 | 180.0° | 60.0° |
| C04 | N02 | C03 | H5 | 60.0° | 180.0° |
| C04 | N02 | C03 | H6 | 60.0° | 60.0° |
| N02 | C04 | C05 | H8 | 12.3° | 48.8° |
| C22 | C04 | N02 | C01 | 67.6° | 178.6° |
| C04 | C22 | C21 | C20 | 28.9° | 7.9° |
| C04 | C22 | C21 | O23 | 179.7° | 179.9° |
| C04 | C22 | C21 | C24 | 161.4° | 172.1° |
| C22 | C04 | C05 | H8 | 136.2° | 169.2° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C01 | N02 | C03 | H4 | 53.2° | 176.0° |
| C01 | N02 | C03 | H5 | 66.8° | 56.0° |
| C01 | N02 | C03 | H6 | 173.3° | 64.0° |
| C01 | N02 | C04 | H7 | 174.0° | 59.5° |
| O27 | C20 | C21 | C22 | 146.2° | 179.2° |
| O27 | C20 | C21 | C24 | 45.1° | 0.8° |
| C20 | C21 | C22 | C24 | 169.6° | 180.0° |
| C20 | C21 | C22 | O23 | 150.8° | 172.2° |
| C20 | C21 | C24 | N26 | 6.4° | 84.3° |
| C20 | C21 | C24 | O25 | 173.6° | 95.7° |
| C21 | C20 | O27 | H34 | 25.4° | 5.0° |
| C22 | C21 | C24 | N26 | 175.1° | 95.8° |
| C22 | C21 | C24 | O25 | 4.9° | 84.3° |
| C21 | C22 | C04 | H7 | 94.4° | 152.7° |
| O23 | C22 | C21 | C24 | 18.8° | 7.8° |
| O23 | C22 | C04 | H7 | 85.9° | 27.3° |
| C21 | C24 | N26 | O25 | 180.0° | 180.0° |
| C21 | C24 | N26 | H30 | 180.0° | 5.0° |
| C21 | C24 | N26 | H31 | 0.0° | 174.9° |
| C24 | N26 | H30 | H31 | 179.9° | 180.0° |
| O25 | C24 | N26 | H30 | 0.0° | 175.0° |
| O25 | C24 | N26 | H31 | 180.0° | 5.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.1° |
| H7 | C04 | C05 | H8 | 106.0° | 70.4° |
| H8 | C05 | C06 | H9 | 59.0° | 168.5° |
| H8 | C05 | C06 | H10 | 176.4° | 71.1° |
| H9 | C06 | C07 | H11 | 49.7° | 175.2° |
| H10 | C06 | C07 | H11 | 167.2° | 54.7° |
| H11 | C07 | C08 | H12 | 56.0° | 171.6° |
| H11 | C07 | C08 | H13 | 174.8° | 51.9° |
| H21 | C36 | C37 | H23 | 33.8° | 144.4° |
| H21 | C36 | C37 | H24 | 87.7° | 21.2° |
| H22 | C36 | C37 | H23 | 156.3° | 23.3° |
| H22 | C36 | C37 | H24 | 34.8° | 99.9° |
| H23 | C37 | C38 | H25 | 139.7° | 35.3° |
| H23 | C37 | C38 | H26 | 19.0° | 159.2° |
| H24 | C37 | C38 | H25 | 18.1° | 87.9° |
| H24 | C37 | C38 | H26 | 102.5° | 36.0° |
| H25 | C38 | C39 | H27 | 6.2° | 36.3° |
| H25 | C38 | C39 | H28 | 115.7° | 86.1° |
| H26 | C38 | C39 | H27 | 126.9° | 160.1° |
| H26 | C38 | C39 | H28 | 4.9° | 37.7° |
