JIA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N05 | sing | 1.47Å | 1.44Å | |
| N05 | C24 | sing | 1.47Å | 1.44Å | |
| C24 | C12 | sing | 1.53Å | 1.52Å | |
| C24 | C21 | sing | 1.53Å | 1.55Å | |
| O33 | C21 | sing | 1.43Å | 1.41Å | |
| C12 | O27 | sing | 1.43Å | 1.40Å | |
| C12 | C07 | sing | 1.53Å | 1.54Å | |
| C21 | C15 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| O29 | C07 | sing | 1.43Å | 1.41Å | |
| O29 | C22 | sing | 1.43Å | 1.41Å | |
| C07 | O28 | sing | 1.43Å | 1.40Å | |
| O28 | C23 | sing | 1.43Å | 1.40Å | |
| N04 | C08 | sing | 1.47Å | 1.44Å | |
| C23 | C08 | sing | 1.53Å | 1.52Å | |
| C23 | C20 | sing | 1.53Å | 1.52Å | |
| C08 | C17 | sing | 1.53Å | 1.52Å | |
| O31 | C20 | sing | 1.43Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | O32 | sing | 1.43Å | 1.40Å | |
| C18 | N03 | sing | 1.47Å | 1.44Å | |
| O32 | C09 | sing | 1.43Å | 1.40Å | |
| C09 | O30 | sing | 1.43Å | 1.41Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| N01 | C10 | sing | 1.47Å | 1.44Å | |
| O30 | C14 | sing | 1.43Å | 1.40Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C14 | C06 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| N02 | C06 | sing | 1.47Å | 1.44Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | O26 | sing | 1.43Å | 1.40Å | |
| C13 | O25 | sing | 1.43Å | 1.40Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| N01 | H26 | sing | 1.01Å | 1.00Å | |
| N01 | H27 | sing | 1.01Å | 1.00Å | |
| N02 | H29 | sing | 1.01Å | 1.00Å | |
| N02 | H30 | sing | 1.01Å | 1.00Å | |
| N03 | H32 | sing | 1.01Å | 1.00Å | |
| N03 | H33 | sing | 1.01Å | 1.00Å | |
| N04 | H35 | sing | 1.01Å | 1.00Å | |
| N04 | H36 | sing | 1.01Å | 1.00Å | |
| N05 | H38 | sing | 1.01Å | 1.00Å | |
| O25 | H40 | sing | 0.97Å | 0.95Å | |
| O26 | H41 | sing | 0.97Å | 0.95Å | |
| O27 | H42 | sing | 0.97Å | 0.95Å | |
| O31 | H43 | sing | 0.97Å | 0.95Å | |
| O33 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N05 | C24 | 120.1° | 111.0° |
| N05 | C16 | H4 | 109.5° | 109.4° |
| N05 | C16 | H5 | 109.5° | 109.4° |
| N05 | C16 | H6 | 109.5° | 109.5° |
| C16 | N05 | H38 | 106.8° | 111.0° |
| N05 | C24 | C12 | 104.1° | 109.6° |
| N05 | C24 | C21 | 115.8° | 109.6° |
| N05 | C24 | H15 | 110.8° | 109.6° |
| C24 | N05 | H38 | 106.7° | 111.0° |
| C12 | C24 | C21 | 106.8° | 109.0° |
| C24 | C12 | O27 | 109.0° | 109.5° |
| C24 | C12 | C07 | 111.1° | 109.2° |
| C12 | C24 | H15 | 109.7° | 109.5° |
| C24 | C12 | H23 | 108.1° | 109.5° |
| C24 | C21 | O33 | 101.6° | 109.5° |
| C24 | C21 | C15 | 120.5° | 109.5° |
| C24 | C21 | C22 | 117.5° | 109.2° |
| C21 | C24 | H15 | 109.4° | 109.5° |
| O33 | C21 | C15 | 87.6° | 109.5° |
| O33 | C21 | C22 | 91.8° | 109.5° |
| C21 | O33 | H44 | 109.5° | 114.0° |
| O27 | C12 | C07 | 110.9° | 109.5° |
| O27 | C12 | H23 | 109.8° | 109.5° |
| C12 | O27 | H42 | 109.5° | 114.0° |
| C12 | C07 | O29 | 110.4° | 109.4° |
| C12 | C07 | O28 | 113.0° | 109.5° |
| C12 | C07 | H18 | 106.2° | 109.5° |
| C07 | C12 | H23 | 107.9° | 109.6° |
| C15 | C21 | C22 | 120.8° | 109.6° |
| C21 | C15 | H1 | 109.5° | 109.4° |
| C21 | C15 | H2 | 109.5° | 109.5° |
| C21 | C15 | H3 | 109.5° | 109.4° |
| C21 | C22 | O29 | 106.2° | 109.4° |
| C21 | C22 | H12 | 110.3° | 109.5° |
| C21 | C22 | H13 | 110.3° | 109.5° |
| C07 | O29 | C22 | 112.6° | 114.1° |
| O29 | C07 | O28 | 111.4° | 109.5° |
| O29 | C07 | H18 | 107.8° | 109.5° |
| O29 | C22 | H12 | 110.3° | 109.5° |
| O29 | C22 | H13 | 110.3° | 109.5° |
| C07 | O28 | C23 | 119.5° | 114.0° |
| O28 | C07 | H18 | 107.8° | 109.5° |
| O28 | C23 | C08 | 110.2° | 109.5° |
| O28 | C23 | C20 | 108.1° | 109.5° |
| O28 | C23 | H14 | 110.5° | 109.5° |
| N04 | C08 | C23 | 108.7° | 109.5° |
| N04 | C08 | C17 | 108.6° | 109.5° |
| N04 | C08 | H19 | 110.6° | 109.5° |
| C08 | N04 | H35 | 109.5° | 111.0° |
| C08 | N04 | H36 | 109.5° | 111.0° |
| C08 | C23 | C20 | 110.2° | 109.5° |
| C23 | C08 | C17 | 110.2° | 109.5° |
| C08 | C23 | H14 | 108.8° | 109.5° |
| C23 | C08 | H19 | 109.4° | 109.5° |
| C23 | C20 | O31 | 107.6° | 109.5° |
| C23 | C20 | C19 | 110.0° | 109.5° |
| C23 | C20 | H11 | 109.2° | 109.5° |
| C20 | C23 | H14 | 108.9° | 109.4° |
| C08 | C17 | C18 | 110.4° | 109.5° |
| C08 | C17 | H7 | 109.2° | 109.5° |
| C08 | C17 | H8 | 109.2° | 109.5° |
| C17 | C08 | H19 | 109.4° | 109.5° |
| O31 | C20 | C19 | 110.0° | 109.5° |
| O31 | C20 | H11 | 110.9° | 109.4° |
| C20 | O31 | H43 | 109.5° | 114.0° |
| C20 | C19 | C18 | 110.4° | 109.5° |
| C20 | C19 | O32 | 109.7° | 109.5° |
| C20 | C19 | H10 | 108.6° | 109.4° |
| C19 | C20 | H11 | 109.1° | 109.5° |
| C17 | C18 | C19 | 109.1° | 109.5° |
| C17 | C18 | N03 | 109.1° | 109.4° |
| C18 | C17 | H7 | 109.3° | 109.4° |
| C18 | C17 | H8 | 109.2° | 109.5° |
| C17 | C18 | H9 | 109.4° | 109.4° |
| C18 | C19 | O32 | 109.3° | 109.5° |
| C19 | C18 | N03 | 109.4° | 109.5° |
| C19 | C18 | H9 | 109.3° | 109.5° |
| C18 | C19 | H10 | 108.6° | 109.5° |
| C19 | O32 | C09 | 117.2° | 114.0° |
| O32 | C19 | H10 | 110.3° | 109.5° |
| N03 | C18 | H9 | 110.5° | 109.5° |
| C18 | N03 | H32 | 109.5° | 111.1° |
| C18 | N03 | H33 | 109.4° | 111.0° |
| O32 | C09 | O30 | 111.2° | 109.5° |
| O32 | C09 | C10 | 112.2° | 109.5° |
| O32 | C09 | H20 | 107.9° | 109.5° |
| O30 | C09 | C10 | 110.9° | 109.4° |
| C09 | O30 | C14 | 113.2° | 114.1° |
| O30 | C09 | H20 | 107.9° | 109.4° |
| C09 | C10 | N01 | 109.8° | 109.5° |
| C09 | C10 | C11 | 111.2° | 109.2° |
| C10 | C09 | H20 | 106.4° | 109.5° |
| C09 | C10 | H21 | 108.4° | 109.6° |
| N01 | C10 | C11 | 109.1° | 109.5° |
| N01 | C10 | H21 | 109.6° | 109.5° |
| C10 | N01 | H26 | 109.5° | 111.0° |
| C10 | N01 | H27 | 109.5° | 111.0° |
| O30 | C14 | C06 | 109.4° | 109.5° |
| O30 | C14 | C13 | 109.4° | 109.4° |
| O30 | C14 | H25 | 110.9° | 109.5° |
| C10 | C11 | C13 | 107.6° | 109.0° |
| C10 | C11 | O26 | 107.9° | 109.6° |
| C11 | C10 | H21 | 108.6° | 109.6° |
| C10 | C11 | H22 | 109.8° | 109.6° |
| C06 | C14 | C13 | 108.6° | 109.5° |
| C14 | C06 | N02 | 110.3° | 109.5° |
| C14 | C06 | H16 | 109.3° | 109.5° |
| C14 | C06 | H17 | 109.3° | 109.5° |
| C06 | C14 | H25 | 109.2° | 109.5° |
| C14 | C13 | C11 | 107.9° | 109.2° |
| C14 | C13 | O25 | 108.8° | 109.5° |
| C14 | C13 | H24 | 109.2° | 109.6° |
| C13 | C14 | H25 | 109.2° | 109.5° |
| N02 | C06 | H16 | 109.3° | 109.5° |
| N02 | C06 | H17 | 109.3° | 109.4° |
| C06 | N02 | H29 | 109.5° | 111.0° |
| C06 | N02 | H30 | 109.5° | 111.0° |
| C13 | C11 | O26 | 110.4° | 109.6° |
| C11 | C13 | O25 | 110.8° | 109.6° |
| C13 | C11 | H22 | 109.7° | 109.5° |
| C11 | C13 | H24 | 109.2° | 109.5° |
| O26 | C11 | H22 | 111.5° | 109.6° |
| C11 | O26 | H41 | 109.5° | 114.0° |
| O25 | C13 | H24 | 110.9° | 109.5° |
| C13 | O25 | H40 | 109.5° | 114.0° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| H4 | C16 | H5 | 109.4° | 109.5° |
| H4 | C16 | H6 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.4° | 109.5° |
| H16 | C06 | H17 | 109.4° | 109.5° |
| H26 | N01 | H27 | 109.5° | 111.0° |
| H29 | N02 | H30 | 109.4° | 111.0° |
| H32 | N03 | H33 | 109.5° | 111.0° |
| H35 | N04 | H36 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N05 | C24 | H38 | 121.5° | 124.0° |
| C16 | N05 | C24 | C12 | 116.9° | 85.0° |
| C16 | N05 | C24 | C21 | 126.3° | 155.4° |
| N05 | C16 | H4 | H5 | 120.0° | 120.0° |
| N05 | C16 | H4 | H6 | 120.0° | 120.0° |
| N05 | C16 | H5 | H6 | 120.0° | 120.0° |
| C16 | N05 | C24 | H15 | 1.0° | 35.2° |
| N05 | C24 | C12 | C21 | 123.0° | 119.9° |
| N05 | C24 | C12 | H15 | 118.7° | 120.3° |
| N05 | C24 | C21 | H15 | 126.0° | 120.3° |
| N05 | C24 | C21 | O33 | 39.5° | 56.9° |
| N05 | C24 | C12 | O27 | 144.8° | 63.2° |
| N05 | C24 | C12 | C07 | 92.7° | 176.9° |
| N05 | C24 | C21 | C15 | 133.6° | 63.2° |
| N05 | C24 | C21 | C22 | 58.7° | 176.9° |
| C24 | N05 | C16 | H4 | 180.0° | 60.0° |
| C24 | N05 | C16 | H5 | 60.0° | 60.0° |
| C24 | N05 | C16 | H6 | 60.0° | 180.0° |
| N05 | C24 | C12 | H23 | 25.5° | 56.9° |
| C12 | C24 | C21 | H15 | 118.6° | 119.8° |
| C12 | C24 | C21 | O33 | 154.8° | 63.0° |
| C24 | C12 | O27 | C07 | 122.6° | 119.7° |
| C24 | C12 | O27 | H23 | 118.2° | 120.1° |
| C24 | C12 | C07 | H23 | 118.4° | 119.9° |
| C12 | C24 | C21 | C15 | 111.1° | 176.9° |
| C12 | C24 | C21 | C22 | 56.6° | 56.9° |
| C24 | C12 | C07 | O29 | 27.5° | 57.6° |
| C24 | C12 | C07 | O28 | 98.0° | 62.4° |
| C24 | C12 | C07 | H18 | 144.1° | 177.6° |
| C12 | C24 | N05 | H38 | 121.7° | 151.0° |
| C24 | C12 | O27 | H42 | 180.0° | 180.0° |
| C24 | C21 | O33 | C15 | 120.7° | 120.1° |
| C24 | C21 | O33 | C22 | 118.6° | 119.7° |
| C21 | C24 | C12 | O27 | 92.3° | 176.9° |
| C21 | C24 | C12 | C07 | 30.2° | 56.9° |
| C24 | C21 | C15 | C22 | 167.3° | 119.7° |
| C24 | C21 | C22 | O29 | 17.4° | 57.6° |
| C24 | C21 | C15 | H1 | 180.0° | 59.8° |
| C24 | C21 | C15 | H2 | 60.0° | 60.2° |
| C24 | C21 | C15 | H3 | 60.0° | 179.7° |
| C24 | C21 | C22 | H12 | 136.9° | 62.4° |
| C24 | C21 | C22 | H13 | 102.1° | 177.6° |
| C21 | C24 | C12 | H23 | 148.5° | 63.0° |
| C21 | C24 | N05 | H38 | 4.8° | 31.4° |
| C24 | C21 | O33 | H44 | 180.0° | 179.9° |
| O33 | C21 | C15 | C22 | 90.6° | 120.2° |
| O33 | C21 | C22 | O29 | 121.5° | 62.4° |
| O33 | C21 | C15 | H1 | 77.9° | 179.9° |
| O33 | C21 | C15 | H2 | 162.0° | 59.9° |
| O33 | C21 | C15 | H3 | 42.1° | 60.2° |
| O33 | C21 | C22 | H12 | 119.0° | 177.7° |
| O33 | C21 | C22 | H13 | 2.0° | 57.7° |
| O33 | C21 | C24 | H15 | 86.6° | 177.2° |
| O27 | C12 | C07 | H23 | 120.3° | 120.1° |
| O27 | C12 | C07 | O29 | 148.9° | 177.5° |
| O27 | C12 | C07 | O28 | 23.4° | 57.6° |
| O27 | C12 | C24 | H15 | 26.1° | 57.1° |
| O27 | C12 | C07 | H18 | 94.5° | 62.5° |
| C12 | C07 | O29 | O28 | 126.4° | 120.0° |
| C12 | C07 | O29 | H18 | 115.6° | 120.0° |
| C12 | C07 | O29 | C22 | 75.5° | 61.2° |
| C12 | C07 | O28 | H18 | 117.0° | 120.0° |
| C12 | C07 | O28 | C23 | 140.5° | 167.4° |
| C07 | C12 | C24 | H15 | 148.6° | 62.9° |
| C07 | C12 | O27 | H42 | 57.4° | 60.3° |
| C15 | C21 | C22 | O29 | 150.3° | 177.5° |
| C21 | C15 | H1 | H2 | 120.0° | 120.0° |
| C21 | C15 | H1 | H3 | 120.0° | 119.9° |
| C21 | C15 | H2 | H3 | 120.0° | 120.0° |
| C15 | C21 | C22 | H12 | 30.8° | 57.5° |
| C15 | C21 | C22 | H13 | 90.2° | 62.5° |
| C15 | C21 | C24 | H15 | 7.5° | 57.1° |
| C15 | C21 | O33 | H44 | 59.3° | 60.0° |
| C21 | C22 | O29 | C07 | 48.5° | 61.2° |
| C21 | C22 | O29 | H12 | 119.5° | 120.0° |
| C21 | C22 | O29 | H13 | 119.5° | 120.0° |
| C22 | C21 | C15 | H1 | 12.7° | 60.0° |
| C22 | C21 | C15 | H2 | 107.3° | 180.0° |
| C22 | C21 | C15 | H3 | 132.7° | 60.0° |
| C21 | C22 | H12 | H13 | 121.5° | 120.0° |
| C22 | C21 | C24 | H15 | 175.2° | 62.9° |
| C22 | C21 | O33 | H44 | 61.5° | 60.2° |
| O29 | C07 | O28 | H18 | 118.0° | 120.1° |
| O29 | C07 | O28 | C23 | 94.6° | 72.7° |
| C07 | O29 | C22 | H12 | 71.0° | 58.8° |
| C07 | O29 | C22 | H13 | 168.0° | 178.8° |
| O29 | C07 | C12 | H23 | 90.8° | 62.3° |
| C22 | O29 | C07 | O28 | 50.8° | 58.8° |
| O29 | C22 | H12 | H13 | 121.5° | 120.0° |
| C22 | O29 | C07 | H18 | 168.9° | 178.9° |
| C07 | O28 | C23 | C08 | 115.9° | 88.3° |
| C07 | O28 | C23 | C20 | 123.5° | 151.6° |
| C07 | O28 | C23 | H14 | 4.4° | 31.7° |
| O28 | C07 | C12 | H23 | 143.7° | 177.7° |
| O28 | C23 | C08 | N04 | 64.3° | 60.0° |
| O28 | C23 | C08 | C20 | 119.3° | 120.0° |
| O28 | C23 | C08 | H14 | 121.4° | 120.0° |
| O28 | C23 | C20 | H14 | 120.2° | 120.0° |
| O28 | C23 | C08 | C17 | 176.8° | 180.0° |
| O28 | C23 | C20 | O31 | 62.0° | 60.0° |
| O28 | C23 | C20 | C19 | 178.1° | 180.0° |
| O28 | C23 | C20 | H11 | 58.4° | 60.0° |
| C23 | O28 | C07 | H18 | 23.4° | 47.3° |
| O28 | C23 | C08 | H19 | 56.5° | 60.0° |
| N04 | C08 | C23 | C17 | 118.9° | 120.0° |
| N04 | C08 | C23 | H19 | 120.8° | 120.0° |
| N04 | C08 | C23 | C20 | 176.4° | 180.0° |
| N04 | C08 | C17 | H19 | 120.7° | 120.0° |
| N04 | C08 | C17 | C18 | 177.7° | 180.0° |
| N04 | C08 | C17 | H7 | 57.5° | 60.0° |
| N04 | C08 | C17 | H8 | 62.2° | 60.0° |
| N04 | C08 | C23 | H14 | 57.1° | 60.0° |
| C08 | N04 | H35 | H36 | 120.0° | 124.0° |
| C08 | C23 | C20 | H14 | 119.3° | 120.0° |
| C23 | C08 | C17 | H19 | 120.3° | 120.0° |
| C08 | C23 | C20 | O31 | 177.4° | 180.0° |
| C08 | C23 | C20 | C19 | 57.6° | 60.0° |
| C23 | C08 | C17 | C18 | 58.7° | 60.0° |
| C23 | C08 | C17 | H7 | 61.4° | 180.0° |
| C23 | C08 | C17 | H8 | 178.8° | 60.0° |
| C08 | C23 | C20 | H11 | 62.2° | 60.0° |
| C23 | C08 | N04 | H35 | 180.0° | 180.0° |
| C23 | C08 | N04 | H36 | 60.0° | 56.0° |
| C20 | C23 | C08 | C17 | 57.5° | 60.0° |
| C23 | C20 | O31 | C19 | 119.9° | 120.0° |
| C23 | C20 | O31 | H11 | 119.3° | 120.0° |
| C23 | C20 | C19 | H11 | 119.8° | 120.0° |
| C23 | C20 | C19 | C18 | 58.9° | 60.0° |
| C23 | C20 | C19 | O32 | 179.3° | 180.0° |
| C23 | C20 | C19 | H10 | 60.1° | 60.0° |
| C20 | C23 | C08 | H19 | 62.8° | 60.0° |
| C23 | C20 | O31 | H43 | 180.0° | 66.7° |
| C08 | C17 | C18 | H7 | 120.1° | 120.1° |
| C08 | C17 | C18 | H8 | 120.1° | 120.0° |
| C08 | C17 | C18 | C19 | 59.2° | 60.0° |
| C08 | C17 | C18 | N03 | 178.7° | 180.0° |
| C08 | C17 | H7 | H8 | 119.6° | 120.0° |
| C08 | C17 | C18 | H9 | 60.3° | 60.0° |
| C17 | C08 | C23 | H14 | 61.8° | 60.0° |
| C17 | C08 | N04 | H35 | 60.1° | 60.0° |
| C17 | C08 | N04 | H36 | 60.0° | 64.0° |
| O31 | C20 | C19 | H11 | 121.9° | 120.0° |
| O31 | C20 | C19 | C18 | 177.2° | 180.0° |
| O31 | C20 | C19 | O32 | 62.3° | 60.0° |
| O31 | C20 | C19 | H10 | 58.3° | 60.0° |
| O31 | C20 | C23 | H14 | 58.1° | 60.0° |
| C20 | C19 | C18 | C17 | 59.4° | 60.0° |
| C20 | C19 | C18 | O32 | 120.7° | 120.0° |
| C20 | C19 | C18 | H10 | 118.9° | 119.9° |
| C20 | C19 | O32 | H10 | 119.5° | 119.9° |
| C20 | C19 | C18 | N03 | 178.7° | 179.9° |
| C20 | C19 | O32 | C09 | 91.9° | 86.9° |
| C20 | C19 | C18 | H9 | 60.2° | 60.0° |
| C19 | C20 | C23 | H14 | 61.7° | 60.1° |
| C19 | C20 | O31 | H43 | 60.1° | 173.3° |
| C17 | C18 | C19 | N03 | 119.3° | 120.0° |
| C17 | C18 | C19 | H9 | 119.6° | 120.0° |
| C17 | C18 | C19 | O32 | 179.9° | 180.0° |
| C17 | C18 | N03 | H9 | 120.3° | 119.9° |
| C18 | C17 | H7 | H8 | 119.6° | 120.0° |
| C17 | C18 | C19 | H10 | 59.5° | 60.0° |
| C18 | C17 | C08 | H19 | 61.6° | 60.0° |
| C17 | C18 | N03 | H32 | 180.0° | 53.9° |
| C17 | C18 | N03 | H33 | 60.0° | 177.9° |
| C18 | C19 | O32 | H10 | 119.4° | 120.0° |
| C19 | C18 | N03 | H9 | 120.4° | 120.1° |
| C18 | C19 | O32 | C09 | 147.0° | 153.1° |
| C19 | C18 | C17 | H7 | 60.9° | 180.0° |
| C19 | C18 | C17 | H8 | 179.4° | 60.0° |
| C18 | C19 | C20 | H11 | 60.9° | 60.0° |
| C19 | C18 | N03 | H32 | 60.7° | 173.9° |
| C19 | C18 | N03 | H33 | 59.3° | 62.1° |
| O32 | C19 | C18 | N03 | 60.6° | 60.0° |
| C19 | O32 | C09 | O30 | 73.0° | 71.0° |
| C19 | O32 | C09 | C10 | 162.0° | 169.0° |
| O32 | C19 | C18 | H9 | 60.5° | 60.0° |
| O32 | C19 | C20 | H11 | 59.6° | 60.0° |
| C19 | O32 | C09 | H20 | 45.1° | 49.0° |
| N03 | C18 | C17 | H7 | 58.6° | 60.0° |
| N03 | C18 | C17 | H8 | 61.2° | 60.0° |
| N03 | C18 | C19 | H10 | 59.8° | 60.0° |
| C18 | N03 | H32 | H33 | 120.0° | 123.9° |
| O32 | C09 | O30 | C10 | 125.6° | 120.0° |
| O32 | C09 | O30 | H20 | 118.2° | 120.0° |
| O32 | C09 | C10 | H20 | 117.9° | 120.1° |
| O32 | C09 | C10 | N01 | 48.9° | 57.5° |
| O32 | C09 | O30 | C14 | 68.5° | 58.8° |
| O32 | C09 | C10 | C11 | 72.1° | 62.4° |
| C09 | O32 | C19 | H10 | 27.6° | 33.1° |
| O32 | C09 | C10 | H21 | 168.6° | 177.7° |
| O30 | C09 | C10 | H20 | 117.1° | 119.9° |
| O30 | C09 | C10 | N01 | 173.9° | 177.5° |
| O30 | C09 | C10 | C11 | 53.0° | 57.7° |
| C09 | O30 | C14 | C06 | 178.2° | 178.8° |
| C09 | O30 | C14 | C13 | 62.9° | 61.2° |
| O30 | C09 | C10 | H21 | 66.3° | 62.3° |
| C09 | O30 | C14 | H25 | 57.7° | 58.8° |
| C09 | C10 | N01 | C11 | 122.2° | 119.7° |
| C09 | C10 | N01 | H21 | 119.0° | 120.2° |
| C10 | C09 | O30 | C14 | 57.2° | 61.2° |
| C09 | C10 | C11 | H21 | 119.2° | 120.0° |
| C09 | C10 | C11 | C13 | 54.7° | 57.0° |
| C09 | C10 | C11 | O26 | 173.8° | 176.9° |
| C09 | C10 | C11 | H22 | 64.6° | 62.8° |
| C09 | C10 | N01 | H26 | 180.0° | 60.0° |
| C09 | C10 | N01 | H27 | 60.0° | 176.0° |
| N01 | C10 | C11 | H21 | 119.5° | 120.1° |
| N01 | C10 | C11 | C13 | 176.0° | 176.9° |
| N01 | C10 | C11 | O26 | 64.9° | 63.2° |
| N01 | C10 | C09 | H20 | 69.0° | 62.5° |
| N01 | C10 | C11 | H22 | 56.7° | 57.1° |
| C10 | N01 | H26 | H27 | 120.0° | 124.0° |
| O30 | C14 | C06 | C13 | 119.4° | 120.0° |
| O30 | C14 | C06 | H25 | 121.5° | 120.0° |
| O30 | C14 | C13 | H25 | 121.6° | 120.0° |
| O30 | C14 | C06 | N02 | 46.8° | 65.0° |
| O30 | C14 | C13 | C11 | 63.3° | 57.6° |
| O30 | C14 | C13 | O25 | 176.4° | 177.5° |
| O30 | C14 | C06 | H16 | 73.4° | 175.0° |
| O30 | C14 | C06 | H17 | 166.9° | 54.9° |
| C14 | O30 | C09 | H20 | 173.3° | 178.9° |
| O30 | C14 | C13 | H24 | 55.3° | 62.3° |
| C10 | C11 | C13 | C14 | 59.1° | 56.9° |
| C10 | C11 | C13 | O26 | 117.5° | 119.9° |
| C10 | C11 | C13 | H22 | 119.3° | 119.9° |
| C10 | C11 | O26 | H22 | 120.6° | 120.3° |
| C10 | C11 | C13 | O25 | 178.2° | 176.9° |
| C11 | C10 | C09 | H20 | 170.1° | 177.6° |
| C10 | C11 | C13 | H24 | 59.4° | 63.0° |
| C11 | C10 | N01 | H26 | 57.9° | 179.7° |
| C11 | C10 | N01 | H27 | 62.2° | 56.3° |
| C10 | C11 | O26 | H41 | 180.0° | 180.0° |
| C06 | C14 | C13 | H25 | 119.0° | 120.0° |
| C14 | C06 | N02 | H16 | 120.1° | 120.0° |
| C14 | C06 | N02 | H17 | 120.1° | 120.0° |
| C06 | C14 | C13 | C11 | 177.3° | 177.6° |
| C06 | C14 | C13 | O25 | 57.0° | 62.5° |
| C14 | C06 | H16 | H17 | 119.6° | 120.0° |
| C06 | C14 | C13 | H24 | 64.1° | 57.7° |
| C14 | C06 | N02 | H29 | 180.0° | 180.0° |
| C14 | C06 | N02 | H30 | 60.0° | 56.0° |
| C13 | C14 | C06 | N02 | 72.7° | 175.0° |
| C14 | C13 | C11 | O25 | 119.1° | 119.9° |
| C14 | C13 | C11 | H24 | 118.6° | 119.9° |
| C14 | C13 | C11 | O26 | 176.6° | 176.8° |
| C14 | C13 | O25 | H24 | 120.1° | 120.2° |
| C13 | C14 | C06 | H16 | 167.2° | 55.0° |
| C13 | C14 | C06 | H17 | 47.5° | 65.0° |
| C14 | C13 | C11 | H22 | 60.2° | 62.9° |
| C14 | C13 | O25 | H40 | 180.0° | 179.7° |
| N02 | C06 | H16 | H17 | 119.6° | 120.0° |
| N02 | C06 | C14 | H25 | 168.3° | 55.0° |
| C06 | N02 | H29 | H30 | 120.0° | 124.0° |
| C13 | C11 | O26 | H22 | 122.2° | 120.1° |
| C11 | C13 | O25 | H24 | 121.4° | 120.1° |
| C13 | C11 | C10 | H21 | 64.5° | 63.0° |
| C11 | C13 | C14 | H25 | 58.3° | 62.4° |
| C11 | C13 | O25 | H40 | 61.5° | 59.9° |
| C13 | C11 | O26 | H41 | 62.7° | 60.4° |
| O26 | C11 | C13 | O25 | 64.4° | 63.2° |
| O26 | C11 | C10 | H21 | 54.5° | 56.9° |
| O26 | C11 | C13 | H24 | 58.0° | 56.9° |
| O25 | C13 | C11 | H22 | 58.8° | 57.0° |
| O25 | C13 | C14 | H25 | 62.0° | 57.5° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C16 | H5 | H6 | 120.0° | 120.1° |
| H4 | C16 | N05 | H38 | 58.5° | 64.0° |
| H5 | C16 | N05 | H38 | 61.5° | 176.0° |
| H6 | C16 | N05 | H38 | 178.5° | 56.0° |
| H7 | C17 | C18 | H9 | 179.6° | 60.0° |
| H7 | C17 | C08 | H19 | 178.3° | 60.0° |
| H8 | C17 | C18 | H9 | 59.8° | 180.0° |
| H8 | C17 | C08 | H19 | 58.5° | 180.0° |
| H9 | C18 | C19 | H10 | 179.1° | 179.9° |
| H9 | C18 | N03 | H32 | 59.7° | 66.0° |
| H9 | C18 | N03 | H33 | 179.7° | 57.9° |
| H10 | C19 | C20 | H11 | 179.8° | 180.0° |
| H11 | C20 | C23 | H14 | 178.5° | 180.0° |
| H11 | C20 | O31 | H43 | 60.7° | 53.3° |
| H14 | C23 | C08 | H19 | 177.9° | 180.0° |
| H15 | C24 | C12 | H23 | 93.1° | 177.2° |
| H15 | C24 | N05 | H38 | 120.5° | 88.8° |
| H16 | C06 | C14 | H25 | 48.1° | 65.0° |
| H16 | C06 | N02 | H29 | 59.9° | 60.0° |
| H16 | C06 | N02 | H30 | 179.9° | 176.1° |
| H17 | C06 | C14 | H25 | 71.6° | 175.0° |
| H17 | C06 | N02 | H29 | 59.8° | 60.0° |
| H17 | C06 | N02 | H30 | 60.1° | 63.9° |
| H18 | C07 | C12 | H23 | 25.7° | 57.7° |
| H19 | C08 | N04 | H35 | 59.9° | 60.0° |
| H19 | C08 | N04 | H36 | 180.0° | 176.0° |
| H20 | C09 | C10 | H21 | 50.8° | 57.6° |
| H21 | C10 | C11 | H22 | 176.2° | 177.2° |
| H21 | C10 | N01 | H26 | 60.9° | 60.2° |
| H21 | C10 | N01 | H27 | 179.0° | 63.8° |
| H22 | C11 | C13 | H24 | 178.8° | 177.1° |
| H22 | C11 | O26 | H41 | 59.4° | 59.7° |
| H23 | C12 | O27 | H42 | 61.8° | 59.9° |
| H24 | C13 | C14 | H25 | 176.9° | 177.7° |
| H24 | C13 | O25 | H40 | 60.0° | 60.2° |
