H99
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O25 | sing | 1.43Å | 1.41Å | |
| C19 | N20 | sing | 1.47Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| O25 | C13 | sing | 1.36Å | 1.42Å | |
| C12 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.47Å | 1.46Å | |
| F29 | C27 | sing | 1.40Å | 1.36Å | |
| C27 | F28 | sing | 1.40Å | 1.38Å | |
| C27 | C11 | sing | 1.51Å | 1.55Å | |
| C13 | C08 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
| C17 | C22 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.42Å | 1.39Å | Aromatic |
| C10 | N07 | doub | 1.33Å | 1.38Å | Aromatic |
| C09 | C14 | doub | 1.41Å | 1.36Å | Aromatic |
| N07 | C04 | sing | 1.33Å | 1.37Å | Aromatic |
| C16 | S15 | sing | 1.81Å | 1.84Å | |
| C14 | S15 | sing | 1.76Å | 1.83Å | |
| C14 | C05 | sing | 1.41Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.42Å | 1.40Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.36Å | 1.41Å | Aromatic |
| C06 | C01 | sing | 1.37Å | 1.40Å | Aromatic |
| C02 | C01 | doub | 1.40Å | 1.40Å | Aromatic |
| C01 | O23 | sing | 1.36Å | 1.42Å | |
| O23 | C24 | sing | 1.43Å | 1.41Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.08Å | 1.08Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| N20 | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O25 | C13 | 113.2° | 117.0° |
| O25 | C26 | H9 | 109.5° | 109.5° |
| O25 | C26 | H10 | 109.5° | 109.5° |
| O25 | C26 | H11 | 109.5° | 109.5° |
| N20 | C19 | C18 | 110.3° | 109.6° |
| C19 | N20 | C21 | 109.7° | 111.2° |
| N20 | C19 | H21 | 109.3° | 109.5° |
| N20 | C19 | H22 | 109.2° | 109.5° |
| C19 | N20 | H24 | 109.4° | 111.0° |
| C19 | C18 | C17 | 107.2° | 109.3° |
| C19 | C18 | H19 | 110.0° | 109.5° |
| C19 | C18 | H20 | 110.0° | 109.6° |
| C18 | C19 | H21 | 109.3° | 109.4° |
| C18 | C19 | H22 | 109.3° | 109.5° |
| O25 | C13 | C12 | 120.1° | 119.6° |
| O25 | C13 | C08 | 120.3° | 119.6° |
| C13 | C12 | C11 | 121.1° | 121.1° |
| C12 | C13 | C08 | 119.6° | 120.8° |
| C13 | C12 | H16 | 119.4° | 119.4° |
| C12 | C11 | C27 | 116.3° | 120.0° |
| C12 | C11 | C10 | 119.5° | 119.9° |
| C11 | C12 | H16 | 119.4° | 119.5° |
| N20 | C21 | C22 | 111.9° | 109.5° |
| N20 | C21 | H2 | 108.9° | 109.4° |
| N20 | C21 | H3 | 108.8° | 109.5° |
| C21 | N20 | H24 | 109.4° | 111.0° |
| F29 | C27 | F28 | 117.4° | 109.5° |
| F29 | C27 | C11 | 113.6° | 109.5° |
| F29 | C27 | H23 | 102.2° | 109.5° |
| F28 | C27 | C11 | 117.2° | 109.4° |
| F28 | C27 | H23 | 102.0° | 109.5° |
| C27 | C11 | C10 | 124.2° | 120.1° |
| C11 | C27 | H23 | 100.7° | 109.4° |
| C13 | C08 | C09 | 119.1° | 119.6° |
| C13 | C08 | H15 | 120.5° | 120.2° |
| C11 | C10 | C09 | 119.2° | 119.0° |
| C11 | C10 | N07 | 121.4° | 120.3° |
| C21 | C22 | C17 | 112.3° | 109.3° |
| C22 | C21 | H2 | 108.8° | 109.4° |
| C22 | C21 | H3 | 108.9° | 109.5° |
| C21 | C22 | H4 | 108.8° | 109.5° |
| C21 | C22 | H5 | 108.7° | 109.6° |
| C18 | C17 | C22 | 111.0° | 109.1° |
| C18 | C17 | C16 | 109.6° | 109.5° |
| C18 | C17 | H1 | 109.8° | 109.6° |
| C17 | C18 | H19 | 110.0° | 109.5° |
| C17 | C18 | H20 | 110.0° | 109.4° |
| C08 | C09 | C10 | 121.5° | 119.7° |
| C08 | C09 | C14 | 118.3° | 120.9° |
| C09 | C08 | H15 | 120.4° | 120.2° |
| C22 | C17 | C16 | 107.0° | 109.5° |
| C22 | C17 | H1 | 109.6° | 109.5° |
| C17 | C22 | H4 | 108.7° | 109.5° |
| C17 | C22 | H5 | 108.8° | 109.5° |
| C17 | C16 | S15 | 103.9° | 109.5° |
| C16 | C17 | H1 | 109.8° | 109.5° |
| C17 | C16 | H17 | 110.8° | 109.5° |
| C17 | C16 | H18 | 110.8° | 109.5° |
| C09 | C10 | N07 | 119.4° | 120.7° |
| C10 | C09 | C14 | 120.3° | 119.5° |
| C10 | N07 | C04 | 120.0° | 121.9° |
| C09 | C14 | S15 | 119.1° | 121.1° |
| C09 | C14 | C05 | 120.9° | 117.8° |
| N07 | C04 | C05 | 120.3° | 120.7° |
| N07 | C04 | C03 | 120.3° | 120.4° |
| C16 | S15 | C14 | 109.4° | 100.0° |
| S15 | C16 | H17 | 110.8° | 109.5° |
| S15 | C16 | H18 | 110.9° | 109.4° |
| S15 | C14 | C05 | 120.1° | 121.1° |
| C14 | C05 | C04 | 119.2° | 119.4° |
| C14 | C05 | C06 | 118.8° | 120.9° |
| C05 | C04 | C03 | 119.4° | 118.9° |
| C04 | C05 | C06 | 122.0° | 119.7° |
| C04 | C03 | C02 | 118.8° | 119.9° |
| C04 | C03 | H13 | 120.6° | 120.0° |
| C05 | C06 | C01 | 118.8° | 119.6° |
| C05 | C06 | H14 | 120.6° | 120.2° |
| C03 | C02 | C01 | 122.1° | 121.0° |
| C03 | C02 | H12 | 119.0° | 119.4° |
| C02 | C03 | H13 | 120.6° | 120.1° |
| C06 | C01 | C02 | 118.9° | 120.8° |
| C06 | C01 | O23 | 122.3° | 119.7° |
| C01 | C06 | H14 | 120.6° | 120.2° |
| C02 | C01 | O23 | 118.8° | 119.6° |
| C01 | C02 | H12 | 118.9° | 119.5° |
| C01 | O23 | C24 | 117.7° | 117.0° |
| O23 | C24 | H6 | 109.5° | 109.4° |
| O23 | C24 | H7 | 109.5° | 109.5° |
| O23 | C24 | H8 | 109.4° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.6° |
| H6 | C24 | H7 | 109.4° | 109.4° |
| H6 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C26 | H10 | 109.5° | 109.5° |
| H9 | C26 | H11 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.4° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O25 | C13 | C12 | 3.4° | 0.4° |
| C26 | O25 | C13 | C08 | 176.7° | 180.0° |
| O25 | C26 | H9 | H10 | 120.0° | 120.0° |
| O25 | C26 | H9 | H11 | 120.0° | 120.0° |
| O25 | C26 | H10 | H11 | 120.0° | 120.0° |
| N20 | C19 | C18 | H21 | 120.1° | 120.0° |
| N20 | C19 | C18 | H22 | 120.1° | 120.1° |
| C19 | N20 | C21 | H24 | 120.0° | 124.1° |
| C19 | N20 | C21 | C22 | 56.6° | 61.7° |
| N20 | C19 | C18 | C17 | 66.8° | 59.2° |
| C19 | N20 | C21 | H2 | 176.9° | 58.2° |
| C19 | N20 | C21 | H3 | 63.8° | 178.2° |
| N20 | C19 | C18 | H19 | 173.5° | 60.7° |
| N20 | C19 | C18 | H20 | 52.8° | 179.1° |
| N20 | C19 | H21 | H22 | 119.6° | 120.0° |
| C18 | C19 | N20 | C21 | 68.0° | 61.8° |
| C19 | C18 | C17 | H19 | 119.6° | 119.9° |
| C19 | C18 | C17 | H20 | 119.6° | 120.0° |
| C19 | C18 | C17 | C22 | 55.1° | 57.6° |
| C19 | C18 | C17 | C16 | 173.1° | 177.5° |
| C19 | C18 | C17 | H1 | 66.2° | 62.3° |
| C19 | C18 | H19 | H20 | 121.0° | 120.2° |
| C18 | C19 | H21 | H22 | 119.6° | 119.9° |
| C18 | C19 | N20 | H24 | 52.0° | 62.4° |
| O25 | C13 | C12 | C08 | 180.0° | 179.6° |
| O25 | C13 | C12 | C11 | 179.8° | 179.8° |
| O25 | C13 | C08 | C09 | 180.0° | 180.0° |
| C13 | O25 | C26 | H9 | 180.0° | 59.9° |
| C13 | O25 | C26 | H10 | 60.0° | 60.1° |
| C13 | O25 | C26 | H11 | 60.0° | 180.0° |
| O25 | C13 | C08 | H15 | 0.0° | 0.4° |
| O25 | C13 | C12 | H16 | 0.2° | 0.4° |
| C13 | C12 | C11 | H16 | 180.0° | 179.7° |
| C13 | C12 | C11 | C27 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.0° |
| C12 | C13 | C08 | C09 | 0.1° | 0.4° |
| C12 | C13 | C08 | H15 | 179.9° | 180.0° |
| C12 | C11 | C27 | F29 | 56.0° | 150.0° |
| C12 | C11 | C27 | F28 | 162.0° | 29.9° |
| C12 | C11 | C27 | C10 | 179.0° | 180.0° |
| C11 | C12 | C13 | C08 | 0.2° | 0.2° |
| C12 | C11 | C10 | C09 | 0.3° | 0.0° |
| C12 | C11 | C10 | N07 | 180.0° | 179.8° |
| C12 | C11 | C27 | H23 | 52.5° | 90.0° |
| N20 | C21 | C22 | H2 | 120.4° | 120.0° |
| N20 | C21 | C22 | H3 | 120.4° | 120.0° |
| N20 | C21 | C22 | C17 | 46.7° | 59.2° |
| N20 | C21 | H2 | H3 | 118.9° | 120.0° |
| N20 | C21 | C22 | H4 | 73.7° | 179.1° |
| N20 | C21 | C22 | H5 | 167.2° | 60.8° |
| C21 | N20 | C19 | H21 | 52.2° | 178.3° |
| C21 | N20 | C19 | H22 | 171.9° | 58.3° |
| F29 | C27 | F28 | C11 | 140.6° | 120.0° |
| F29 | C27 | F28 | H23 | 110.6° | 120.1° |
| F29 | C27 | C11 | H23 | 108.5° | 120.0° |
| F29 | C27 | C11 | C10 | 125.0° | 30.0° |
| F28 | C27 | C11 | H23 | 109.6° | 120.0° |
| F28 | C27 | C11 | C10 | 17.0° | 150.0° |
| C27 | C11 | C10 | C09 | 179.2° | 179.9° |
| C27 | C11 | C10 | N07 | 1.0° | 0.3° |
| C27 | C11 | C12 | H16 | 0.6° | 0.3° |
| C13 | C08 | C09 | H15 | 180.0° | 179.6° |
| C13 | C08 | C09 | C10 | 0.1° | 0.4° |
| C13 | C08 | C09 | C14 | 179.4° | 179.5° |
| C08 | C13 | C12 | H16 | 179.8° | 179.9° |
| C11 | C10 | C09 | C08 | 0.0° | 0.2° |
| C11 | C10 | C09 | N07 | 179.8° | 179.8° |
| C11 | C10 | C09 | C14 | 179.5° | 179.7° |
| C11 | C10 | N07 | C04 | 179.4° | 179.8° |
| C10 | C11 | C12 | H16 | 179.6° | 179.7° |
| C10 | C11 | C27 | H23 | 126.5° | 90.0° |
| C21 | C22 | C17 | C18 | 46.8° | 57.7° |
| C21 | C22 | C17 | H4 | 120.4° | 119.9° |
| C21 | C22 | C17 | H5 | 120.4° | 120.0° |
| C21 | C22 | C17 | C16 | 166.3° | 177.5° |
| C21 | C22 | C17 | H1 | 74.6° | 62.3° |
| C22 | C21 | H2 | H3 | 118.9° | 120.0° |
| C21 | C22 | H4 | H5 | 118.7° | 120.2° |
| C22 | C21 | N20 | H24 | 63.4° | 62.4° |
| C18 | C17 | C22 | C16 | 119.5° | 119.9° |
| C18 | C17 | C22 | H1 | 121.4° | 119.9° |
| C18 | C17 | C16 | H1 | 120.6° | 120.2° |
| C18 | C17 | C16 | S15 | 174.8° | 65.4° |
| C18 | C17 | C22 | H4 | 73.7° | 177.6° |
| C18 | C17 | C22 | H5 | 167.2° | 62.3° |
| C18 | C17 | C16 | H17 | 55.7° | 54.7° |
| C18 | C17 | C16 | H18 | 66.1° | 174.7° |
| C17 | C18 | H19 | H20 | 121.1° | 120.0° |
| C17 | C18 | C19 | H21 | 53.3° | 179.2° |
| C17 | C18 | C19 | H22 | 173.0° | 60.9° |
| C08 | C09 | C10 | C14 | 179.5° | 179.9° |
| C08 | C09 | C10 | N07 | 179.8° | 180.0° |
| C08 | C09 | C14 | S15 | 0.1° | 0.0° |
| C08 | C09 | C14 | C05 | 179.7° | 180.0° |
| C22 | C17 | C16 | H1 | 118.9° | 120.2° |
| C22 | C17 | C16 | S15 | 64.7° | 175.0° |
| C17 | C22 | C21 | H2 | 167.1° | 60.8° |
| C17 | C22 | C21 | H3 | 73.6° | 179.2° |
| C17 | C22 | H4 | H5 | 118.7° | 120.0° |
| C22 | C17 | C16 | H17 | 176.2° | 64.9° |
| C22 | C17 | C16 | H18 | 54.4° | 55.0° |
| C22 | C17 | C18 | H19 | 174.7° | 62.3° |
| C22 | C17 | C18 | H20 | 64.5° | 177.7° |
| C17 | C16 | S15 | H17 | 119.1° | 120.1° |
| C17 | C16 | S15 | H18 | 119.1° | 120.0° |
| C17 | C16 | S15 | C14 | 93.5° | 180.0° |
| C16 | C17 | C22 | H4 | 45.9° | 62.5° |
| C16 | C17 | C22 | H5 | 73.3° | 57.6° |
| C17 | C16 | H17 | H18 | 122.6° | 120.0° |
| C16 | C17 | C18 | H19 | 67.3° | 57.6° |
| C16 | C17 | C18 | H20 | 53.5° | 62.4° |
| C09 | C10 | N07 | C04 | 0.9° | 0.0° |
| C10 | C09 | C14 | S15 | 179.4° | 179.9° |
| C10 | C09 | C14 | C05 | 0.2° | 0.0° |
| C10 | C09 | C08 | H15 | 179.9° | 180.0° |
| N07 | C10 | C09 | C14 | 0.7° | 0.0° |
| C10 | N07 | C04 | C05 | 0.5° | 0.0° |
| C10 | N07 | C04 | C03 | 179.6° | 180.0° |
| C09 | C14 | S15 | C16 | 100.5° | 90.0° |
| C09 | C14 | S15 | C05 | 179.6° | 180.0° |
| C09 | C14 | C05 | C04 | 0.2° | 0.0° |
| C09 | C14 | C05 | C06 | 179.8° | 179.9° |
| C14 | C09 | C08 | H15 | 0.6° | 0.1° |
| N07 | C04 | C05 | C14 | 0.1° | 0.0° |
| N07 | C04 | C05 | C03 | 180.0° | 180.0° |
| N07 | C04 | C05 | C06 | 179.7° | 180.0° |
| N07 | C04 | C03 | C02 | 179.3° | 180.0° |
| N07 | C04 | C03 | H13 | 0.6° | 0.1° |
| C16 | S15 | C14 | C05 | 79.0° | 90.0° |
| S15 | C16 | C17 | H1 | 54.2° | 54.8° |
| S15 | C16 | H17 | H18 | 122.6° | 120.0° |
| S15 | C14 | C05 | C04 | 179.8° | 180.0° |
| S15 | C14 | C05 | C06 | 0.6° | 0.1° |
| C14 | S15 | C16 | H17 | 25.6° | 60.0° |
| C14 | S15 | C16 | H18 | 147.4° | 60.0° |
| C14 | C05 | C04 | C06 | 179.6° | 180.0° |
| C14 | C05 | C04 | C03 | 179.9° | 180.0° |
| C14 | C05 | C06 | C01 | 179.6° | 180.0° |
| C14 | C05 | C06 | H14 | 0.5° | 0.0° |
| C05 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C05 | C06 | C01 | 0.0° | 0.0° |
| C05 | C04 | C03 | H13 | 179.4° | 179.9° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C04 | C03 | C02 | H13 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.6° | 0.0° |
| C04 | C03 | C02 | H12 | 179.4° | 180.0° |
| C05 | C06 | C01 | H14 | 180.0° | 180.0° |
| C05 | C06 | C01 | C02 | 0.0° | 0.0° |
| C05 | C06 | C01 | O23 | 179.8° | 180.0° |
| C03 | C02 | C01 | C06 | 0.3° | 0.0° |
| C03 | C02 | C01 | H12 | 180.0° | 180.0° |
| C03 | C02 | C01 | O23 | 179.8° | 180.0° |
| C06 | C01 | C02 | O23 | 179.8° | 180.0° |
| C06 | C01 | O23 | C24 | 9.1° | 180.0° |
| C06 | C01 | C02 | H12 | 179.7° | 180.0° |
| C02 | C01 | O23 | C24 | 170.7° | 0.0° |
| C01 | C02 | C03 | H13 | 179.4° | 180.0° |
| C02 | C01 | C06 | H14 | 180.0° | 180.0° |
| C01 | O23 | C24 | H6 | 180.0° | 180.0° |
| C01 | O23 | C24 | H7 | 60.0° | 60.1° |
| C01 | O23 | C24 | H8 | 60.0° | 60.0° |
| O23 | C01 | C02 | H12 | 0.2° | 0.0° |
| O23 | C01 | C06 | H14 | 0.2° | 0.0° |
| O23 | C24 | H6 | H7 | 120.0° | 120.0° |
| O23 | C24 | H6 | H8 | 120.0° | 120.0° |
| O23 | C24 | H7 | H8 | 120.0° | 120.1° |
| H1 | C17 | C22 | H4 | 164.9° | 57.6° |
| H1 | C17 | C22 | H5 | 45.8° | 177.7° |
| H1 | C17 | C16 | H17 | 64.9° | 174.9° |
| H1 | C17 | C16 | H18 | 173.3° | 65.1° |
| H1 | C17 | C18 | H19 | 53.4° | 177.8° |
| H1 | C17 | C18 | H20 | 174.1° | 57.8° |
| H2 | C21 | C22 | H4 | 46.7° | 59.1° |
| H2 | C21 | C22 | H5 | 72.5° | 179.3° |
| H2 | C21 | N20 | H24 | 56.9° | 177.7° |
| H3 | C21 | C22 | H4 | 165.9° | 60.9° |
| H3 | C21 | C22 | H5 | 46.8° | 59.3° |
| H3 | C21 | N20 | H24 | 176.2° | 57.7° |
| H6 | C24 | H7 | H8 | 120.0° | 120.0° |
| H9 | C26 | H10 | H11 | 120.0° | 120.0° |
| H12 | C02 | C03 | H13 | 0.6° | 0.0° |
| H19 | C18 | C19 | H21 | 66.4° | 59.3° |
| H19 | C18 | C19 | H22 | 53.4° | 179.2° |
| H20 | C18 | C19 | H21 | 172.9° | 60.9° |
| H20 | C18 | C19 | H22 | 67.3° | 59.0° |
| H21 | C19 | N20 | H24 | 172.2° | 57.6° |
| H22 | C19 | N20 | H24 | 68.1° | 177.6° |
