9XS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| O8 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C19 | sing | 1.53Å | 1.46Å | |
| C19 | C20 | sing | 1.51Å | 1.58Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| O6 | C20 | doub | 1.21Å | 1.30Å | |
| C20 | O7 | sing | 1.34Å | 1.24Å | |
| C18 | N3 | sing | 1.47Å | 1.53Å | |
| C18 | C2 | sing | 1.55Å | 1.55Å | |
| N3 | C16 | doub | 1.27Å | 1.30Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.55Å | 1.61Å | |
| C16 | C3 | sing | 1.51Å | 1.47Å | |
| C16 | C17 | sing | 1.48Å | 1.58Å | |
| O5 | C17 | doub | 1.21Å | 1.29Å | |
| C3 | S1 | sing | 1.81Å | 1.85Å | |
| C17 | O4 | sing | 1.35Å | 1.25Å | |
| C4 | C15 | sing | 1.55Å | 1.56Å | |
| C4 | C5 | sing | 1.55Å | 1.53Å | |
| C4 | S1 | sing | 1.81Å | 2.05Å | |
| C15 | C6 | sing | 1.54Å | 1.61Å | |
| C5 | N1 | sing | 1.48Å | 1.51Å | |
| C6 | N1 | sing | 1.47Å | 1.54Å | |
| C6 | C7 | sing | 1.51Å | 1.71Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | N2 | sing | 1.35Å | 1.48Å | |
| N2 | C8 | sing | 1.40Å | 1.53Å | |
| C8 | C9 | doub | 1.39Å | 1.45Å | Aromatic |
| C8 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.64Å | |
| O2 | C13 | doub | 1.21Å | 1.26Å | |
| C13 | O3 | sing | 1.35Å | 1.25Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å | |
| N1 | H23 | sing | 1.01Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| O3 | H29 | sing | 0.97Å | 0.95Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | O8 | 113.7° | 109.5° |
| C22 | C21 | C19 | 111.5° | 109.5° |
| C22 | C21 | H17 | 107.5° | 109.4° |
| C21 | C22 | H19 | 109.5° | 109.5° |
| C21 | C22 | H20 | 109.5° | 109.5° |
| C21 | C22 | H18 | 109.5° | 109.4° |
| O8 | C21 | C19 | 106.5° | 109.4° |
| O8 | C21 | H17 | 108.8° | 109.5° |
| C21 | O8 | H28 | 109.5° | 114.0° |
| C21 | C19 | C20 | 111.7° | 109.5° |
| C21 | C19 | C18 | 113.0° | 109.5° |
| C21 | C19 | H15 | 108.1° | 109.4° |
| C19 | C21 | H17 | 108.7° | 109.5° |
| C20 | C19 | C18 | 110.2° | 109.5° |
| C19 | C20 | O6 | 123.0° | 120.0° |
| C19 | C20 | O7 | 107.9° | 120.0° |
| C20 | C19 | H15 | 106.7° | 109.5° |
| C19 | C18 | N3 | 103.7° | 110.3° |
| C19 | C18 | C2 | 120.3° | 110.3° |
| C19 | C18 | H2 | 110.4° | 110.4° |
| C18 | C19 | H15 | 106.9° | 109.5° |
| O6 | C20 | O7 | 128.8° | 120.0° |
| C20 | O7 | H26 | 109.5° | 116.9° |
| N3 | C18 | C2 | 100.1° | 105.1° |
| C18 | N3 | C16 | 112.4° | 112.6° |
| N3 | C18 | H2 | 110.8° | 110.3° |
| C18 | C2 | C1 | 111.8° | 111.2° |
| C18 | C2 | C3 | 103.8° | 100.8° |
| C2 | C18 | H2 | 110.5° | 110.3° |
| C18 | C2 | H9 | 110.3° | 111.2° |
| N3 | C16 | C3 | 114.0° | 111.2° |
| N3 | C16 | C17 | 123.6° | 124.4° |
| C1 | C2 | C3 | 111.3° | 111.1° |
| C1 | C2 | H9 | 110.1° | 111.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C3 | C16 | 100.8° | 103.8° |
| C2 | C3 | S1 | 108.9° | 110.6° |
| C2 | C3 | H24 | 112.9° | 110.7° |
| C3 | C2 | H9 | 109.4° | 111.2° |
| C3 | C16 | C17 | 121.7° | 124.4° |
| C16 | C3 | S1 | 108.7° | 110.6° |
| C16 | C3 | H24 | 115.3° | 110.5° |
| C16 | C17 | O5 | 107.9° | 120.0° |
| C16 | C17 | O4 | 125.2° | 120.1° |
| O5 | C17 | O4 | 126.8° | 120.0° |
| C3 | S1 | C4 | 106.0° | 103.0° |
| S1 | C3 | H24 | 109.8° | 110.5° |
| C17 | O4 | H8 | 109.5° | 117.0° |
| C15 | C4 | C5 | 104.6° | 101.6° |
| C15 | C4 | S1 | 110.2° | 111.0° |
| C4 | C15 | C6 | 110.3° | 103.0° |
| C15 | C4 | H7 | 109.1° | 111.0° |
| C4 | C15 | H10 | 109.3° | 110.7° |
| C4 | C15 | H11 | 109.3° | 110.7° |
| C5 | C4 | S1 | 118.9° | 111.0° |
| C4 | C5 | N1 | 109.4° | 104.8° |
| C4 | C5 | H6 | 109.5° | 110.4° |
| C4 | C5 | H5 | 109.5° | 110.5° |
| C5 | C4 | H7 | 109.4° | 111.0° |
| S1 | C4 | H7 | 104.3° | 110.9° |
| C15 | C6 | N1 | 101.7° | 107.2° |
| C15 | C6 | C7 | 115.7° | 109.9° |
| C15 | C6 | H3 | 107.8° | 110.0° |
| C6 | C15 | H10 | 109.2° | 110.7° |
| C6 | C15 | H11 | 109.3° | 110.7° |
| C5 | N1 | C6 | 110.5° | 108.6° |
| N1 | C5 | H6 | 109.5° | 110.4° |
| N1 | C5 | H5 | 109.5° | 110.4° |
| C5 | N1 | H23 | 109.2° | 111.0° |
| N1 | C6 | C7 | 115.9° | 109.9° |
| N1 | C6 | H3 | 108.6° | 109.9° |
| C6 | N1 | H23 | 109.2° | 111.0° |
| C6 | C7 | O1 | 113.6° | 120.0° |
| C6 | C7 | N2 | 128.5° | 120.0° |
| C7 | C6 | H3 | 106.7° | 109.9° |
| O1 | C7 | N2 | 117.8° | 119.9° |
| C7 | N2 | C8 | 133.6° | 120.1° |
| C7 | N2 | H25 | 113.2° | 120.0° |
| N2 | C8 | C9 | 126.6° | 120.0° |
| N2 | C8 | C14 | 118.9° | 120.0° |
| C8 | N2 | H25 | 113.2° | 120.0° |
| C9 | C8 | C14 | 114.5° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.2° |
| C8 | C9 | H21 | 119.4° | 119.9° |
| C8 | C14 | C12 | 126.9° | 119.8° |
| C8 | C14 | H22 | 116.5° | 120.1° |
| C9 | C10 | C11 | 120.8° | 120.2° |
| C9 | C10 | H16 | 119.6° | 119.9° |
| C10 | C9 | H21 | 119.4° | 119.9° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H1 | 120.0° | 120.0° |
| C11 | C10 | H16 | 119.6° | 119.9° |
| C14 | C12 | C11 | 116.5° | 119.8° |
| C14 | C12 | C13 | 119.4° | 120.1° |
| C12 | C14 | H22 | 116.5° | 120.1° |
| C11 | C12 | C13 | 124.1° | 120.1° |
| C12 | C11 | H1 | 120.0° | 120.0° |
| C12 | C13 | O2 | 116.7° | 120.0° |
| C12 | C13 | O3 | 119.1° | 120.0° |
| O2 | C13 | O3 | 124.1° | 120.0° |
| C13 | O3 | H29 | 109.5° | 117.0° |
| H6 | C5 | H5 | 109.4° | 110.3° |
| H10 | C15 | H11 | 109.5° | 110.7° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C1 | H13 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H18 | 109.4° | 109.4° |
| H20 | C22 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | O8 | C19 | 123.2° | 120.0° |
| C22 | C21 | O8 | H17 | 119.8° | 120.0° |
| C22 | C21 | C19 | H17 | 118.4° | 120.0° |
| C22 | C21 | C19 | C20 | 60.5° | 179.9° |
| C22 | C21 | C19 | C18 | 174.6° | 60.0° |
| C22 | C21 | C19 | H15 | 56.6° | 60.0° |
| C21 | C22 | H19 | H20 | 120.0° | 120.1° |
| C21 | C22 | H19 | H18 | 120.0° | 119.9° |
| C21 | C22 | H20 | H18 | 120.0° | 120.0° |
| C22 | C21 | O8 | H28 | 180.0° | 59.9° |
| O8 | C21 | C19 | H17 | 117.1° | 120.0° |
| O8 | C21 | C19 | C20 | 174.9° | 60.0° |
| O8 | C21 | C19 | C18 | 50.1° | 60.1° |
| O8 | C21 | C19 | H15 | 68.0° | 180.0° |
| O8 | C21 | C22 | H19 | 180.0° | 59.9° |
| O8 | C21 | C22 | H20 | 60.0° | 180.0° |
| O8 | C21 | C22 | H18 | 60.0° | 60.0° |
| C21 | C19 | C20 | C18 | 126.4° | 120.0° |
| C21 | C19 | C20 | H15 | 117.9° | 119.9° |
| C21 | C19 | C18 | H15 | 118.8° | 119.9° |
| C21 | C19 | C20 | O6 | 63.1° | 81.0° |
| C21 | C19 | C20 | O7 | 122.6° | 99.1° |
| C21 | C19 | C18 | N3 | 106.8° | 68.3° |
| C21 | C19 | C18 | C2 | 142.6° | 176.0° |
| C21 | C19 | C18 | H2 | 11.9° | 53.9° |
| C19 | C21 | C22 | H19 | 59.6° | 180.0° |
| C19 | C21 | C22 | H20 | 60.4° | 60.0° |
| C19 | C21 | C22 | H18 | 179.6° | 60.0° |
| C19 | C21 | O8 | H28 | 56.8° | 180.0° |
| C20 | C19 | C18 | H15 | 115.6° | 120.0° |
| C19 | C20 | O6 | O7 | 173.0° | 179.9° |
| C20 | C19 | C18 | N3 | 18.8° | 51.7° |
| C20 | C19 | C18 | C2 | 91.7° | 63.9° |
| C20 | C19 | C18 | H2 | 137.6° | 173.9° |
| C20 | C19 | C21 | H17 | 57.9° | 60.0° |
| C19 | C20 | O7 | H26 | 173.8° | 180.0° |
| C18 | C19 | C20 | O6 | 63.3° | 39.1° |
| C18 | C19 | C20 | O7 | 110.9° | 140.9° |
| C19 | C18 | N3 | C2 | 124.8° | 118.9° |
| C19 | C18 | N3 | H2 | 118.5° | 122.2° |
| C19 | C18 | C2 | H2 | 130.6° | 122.2° |
| C19 | C18 | N3 | C16 | 103.3° | 135.1° |
| C19 | C18 | C2 | C1 | 35.8° | 25.0° |
| C19 | C18 | C2 | C3 | 84.2° | 142.9° |
| C19 | C18 | C2 | H9 | 158.7° | 99.2° |
| C18 | C19 | C21 | H17 | 67.0° | 180.0° |
| O6 | C20 | C19 | H15 | 179.0° | 159.1° |
| O6 | C20 | O7 | H26 | 0.0° | 0.1° |
| O7 | C20 | C19 | H15 | 4.8° | 20.9° |
| N3 | C18 | C2 | H2 | 116.8° | 118.9° |
| N3 | C18 | C2 | C1 | 148.4° | 93.9° |
| N3 | C18 | C2 | C3 | 28.3° | 24.0° |
| C18 | N3 | C16 | C3 | 4.0° | 0.1° |
| C18 | N3 | C16 | C17 | 166.4° | 179.9° |
| N3 | C18 | C2 | H9 | 88.8° | 141.9° |
| N3 | C18 | C19 | H15 | 134.4° | 171.7° |
| C2 | C18 | N3 | C16 | 21.5° | 16.2° |
| C18 | C2 | C1 | C3 | 115.5° | 111.4° |
| C18 | C2 | C1 | H9 | 123.0° | 124.3° |
| C18 | C2 | C3 | H9 | 117.7° | 117.9° |
| C18 | C2 | C3 | C16 | 26.9° | 23.6° |
| C18 | C2 | C3 | S1 | 141.1° | 95.0° |
| C18 | C2 | C3 | H24 | 96.7° | 142.2° |
| C18 | C2 | C1 | H12 | 180.0° | 60.3° |
| C18 | C2 | C1 | H14 | 60.0° | 179.6° |
| C18 | C2 | C1 | H13 | 60.0° | 59.7° |
| C2 | C18 | C19 | H15 | 23.8° | 56.1° |
| N3 | C16 | C3 | C2 | 14.7° | 15.9° |
| N3 | C16 | C3 | C17 | 170.6° | 180.0° |
| N3 | C16 | C17 | O5 | 6.3° | 180.0° |
| N3 | C16 | C3 | S1 | 129.1° | 102.7° |
| N3 | C16 | C17 | O4 | 171.5° | 0.0° |
| C16 | N3 | C18 | H2 | 138.2° | 102.7° |
| N3 | C16 | C3 | H24 | 107.2° | 134.7° |
| C1 | C2 | C3 | H9 | 121.9° | 124.2° |
| C1 | C2 | C3 | C16 | 147.3° | 94.3° |
| C1 | C2 | C3 | S1 | 98.5° | 147.1° |
| C1 | C2 | C18 | H2 | 94.8° | 147.2° |
| C1 | C2 | C3 | H24 | 23.7° | 24.3° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H14 | H13 | 120.0° | 120.0° |
| C2 | C3 | C16 | S1 | 114.4° | 118.6° |
| C2 | C3 | C16 | H24 | 121.9° | 118.7° |
| C2 | C3 | C16 | C17 | 174.6° | 164.1° |
| C2 | C3 | S1 | H24 | 124.1° | 122.9° |
| C2 | C3 | S1 | C4 | 41.3° | 179.2° |
| C3 | C2 | C18 | H2 | 145.2° | 94.9° |
| C3 | C2 | C1 | H12 | 64.5° | 51.1° |
| C3 | C2 | C1 | H14 | 175.5° | 68.9° |
| C3 | C2 | C1 | H13 | 55.5° | 171.1° |
| C3 | C16 | C17 | O5 | 163.4° | 0.0° |
| C16 | C3 | S1 | H24 | 126.9° | 122.7° |
| C3 | C16 | C17 | O4 | 18.9° | 180.0° |
| C16 | C3 | S1 | C4 | 67.7° | 66.4° |
| C16 | C3 | C2 | H9 | 90.8° | 141.5° |
| C16 | C17 | O5 | O4 | 177.7° | 180.0° |
| C17 | C16 | C3 | S1 | 60.3° | 77.3° |
| C16 | C17 | O4 | H8 | 177.4° | 180.0° |
| C17 | C16 | C3 | H24 | 63.4° | 45.3° |
| O5 | C17 | O4 | H8 | 0.0° | 0.0° |
| C3 | S1 | C4 | C15 | 115.4° | 175.0° |
| C3 | S1 | C4 | C5 | 123.8° | 72.8° |
| C3 | S1 | C4 | H7 | 1.6° | 51.1° |
| S1 | C3 | C2 | H9 | 23.4° | 22.8° |
| C15 | C4 | C5 | S1 | 123.5° | 118.1° |
| C15 | C4 | C5 | H7 | 116.8° | 118.1° |
| C15 | C4 | S1 | H7 | 117.0° | 123.9° |
| C4 | C15 | C6 | H10 | 120.1° | 118.4° |
| C4 | C15 | C6 | H11 | 120.1° | 118.4° |
| C15 | C4 | C5 | N1 | 8.4° | 37.1° |
| C4 | C15 | C6 | N1 | 12.9° | 22.3° |
| C4 | C15 | C6 | C7 | 139.4° | 141.7° |
| C4 | C15 | C6 | H3 | 101.3° | 97.2° |
| C15 | C4 | C5 | H6 | 128.4° | 81.7° |
| C15 | C4 | C5 | H5 | 111.6° | 156.0° |
| C4 | C15 | H10 | H11 | 119.6° | 123.2° |
| C5 | C4 | S1 | H7 | 122.2° | 123.9° |
| C5 | C4 | C15 | C6 | 3.2° | 35.7° |
| C4 | C5 | N1 | H6 | 120.0° | 118.8° |
| C4 | C5 | N1 | H5 | 120.0° | 119.0° |
| C4 | C5 | N1 | C6 | 17.7° | 24.1° |
| C4 | C5 | H6 | H5 | 120.0° | 122.4° |
| C5 | C4 | C15 | H10 | 123.3° | 82.7° |
| C5 | C4 | C15 | H11 | 117.0° | 154.1° |
| C4 | C5 | N1 | H23 | 102.5° | 146.4° |
| S1 | C4 | C15 | C6 | 132.1° | 153.8° |
| S1 | C4 | C5 | N1 | 115.1° | 155.1° |
| S1 | C4 | C5 | H6 | 4.9° | 36.3° |
| S1 | C4 | C5 | H5 | 124.9° | 86.0° |
| C4 | S1 | C3 | H24 | 165.4° | 56.3° |
| S1 | C4 | C15 | H10 | 107.7° | 35.3° |
| S1 | C4 | C15 | H11 | 12.0° | 87.8° |
| C15 | C6 | N1 | C5 | 18.2° | 1.0° |
| C15 | C6 | N1 | C7 | 126.4° | 119.3° |
| C15 | C6 | N1 | H3 | 113.6° | 119.6° |
| C15 | C6 | C7 | H3 | 119.9° | 121.2° |
| C15 | C6 | C7 | O1 | 12.2° | 99.2° |
| C15 | C6 | C7 | N2 | 169.4° | 80.8° |
| C6 | C15 | C4 | H7 | 113.8° | 82.4° |
| C6 | C15 | H10 | H11 | 119.6° | 123.2° |
| C15 | C6 | N1 | H23 | 101.9° | 123.3° |
| C5 | N1 | C6 | H23 | 120.2° | 122.3° |
| C5 | N1 | C6 | C7 | 144.6° | 118.4° |
| C5 | N1 | C6 | H3 | 95.3° | 120.5° |
| N1 | C5 | H6 | H5 | 120.0° | 122.3° |
| N1 | C5 | C4 | H7 | 125.2° | 81.1° |
| N1 | C6 | C7 | H3 | 121.1° | 121.1° |
| N1 | C6 | C7 | O1 | 131.1° | 18.5° |
| N1 | C6 | C7 | N2 | 50.4° | 161.5° |
| C6 | N1 | C5 | H6 | 137.7° | 94.7° |
| C6 | N1 | C5 | H5 | 102.3° | 143.0° |
| N1 | C6 | C15 | H10 | 133.0° | 96.1° |
| N1 | C6 | C15 | H11 | 107.2° | 140.7° |
| C6 | C7 | O1 | N2 | 178.7° | 180.0° |
| C6 | C7 | N2 | C8 | 179.4° | 178.9° |
| C7 | C6 | C15 | H10 | 100.5° | 23.3° |
| C7 | C6 | C15 | H11 | 19.3° | 99.9° |
| C7 | C6 | N1 | H23 | 24.5° | 3.9° |
| C6 | C7 | N2 | H25 | 0.6° | 1.1° |
| O1 | C7 | N2 | C8 | 2.1° | 1.1° |
| O1 | C7 | C6 | H3 | 107.8° | 139.6° |
| O1 | C7 | N2 | H25 | 177.9° | 178.9° |
| C7 | N2 | C8 | H25 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 38.7° | 150.9° |
| C7 | N2 | C8 | C14 | 143.3° | 29.3° |
| N2 | C7 | C6 | H3 | 70.7° | 40.4° |
| N2 | C8 | C9 | C14 | 178.1° | 179.7° |
| N2 | C8 | C9 | C10 | 178.8° | 180.0° |
| N2 | C8 | C14 | C12 | 179.2° | 179.7° |
| N2 | C8 | C9 | H21 | 1.2° | 0.3° |
| N2 | C8 | C14 | H22 | 0.9° | 0.2° |
| C8 | C9 | C10 | H21 | 180.0° | 179.6° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C14 | C12 | 0.9° | 0.5° |
| C8 | C9 | C10 | H16 | 179.7° | 180.0° |
| C9 | C8 | C14 | H22 | 179.1° | 179.9° |
| C9 | C8 | N2 | H25 | 141.3° | 29.1° |
| C14 | C8 | C9 | C10 | 0.7° | 0.3° |
| C8 | C14 | C12 | H22 | 180.0° | 179.5° |
| C8 | C14 | C12 | C11 | 0.7° | 0.5° |
| C8 | C14 | C12 | C13 | 179.9° | 179.4° |
| C14 | C8 | C9 | H21 | 179.3° | 179.9° |
| C14 | C8 | N2 | H25 | 36.7° | 150.7° |
| C9 | C10 | C11 | H16 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H1 | 179.9° | 179.7° |
| C10 | C11 | C12 | C14 | 0.2° | 0.2° |
| C10 | C11 | C12 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 179.6° | 179.7° |
| C11 | C10 | C9 | H21 | 179.7° | 179.6° |
| C14 | C12 | C11 | C13 | 179.4° | 179.9° |
| C14 | C12 | C13 | O2 | 69.8° | 0.1° |
| C14 | C12 | C13 | O3 | 108.3° | 180.0° |
| C14 | C12 | C11 | H1 | 179.8° | 179.9° |
| C11 | C12 | C13 | O2 | 109.6° | 180.0° |
| C11 | C12 | C13 | O3 | 72.3° | 0.0° |
| C12 | C11 | C10 | H16 | 179.9° | 180.0° |
| C11 | C12 | C14 | H22 | 179.3° | 180.0° |
| C12 | C13 | O2 | O3 | 178.0° | 180.0° |
| C13 | C12 | C11 | H1 | 0.4° | 0.0° |
| C13 | C12 | C14 | H22 | 0.1° | 0.1° |
| C12 | C13 | O3 | H29 | 177.9° | 180.0° |
| O2 | C13 | O3 | H29 | 0.0° | 0.0° |
| H1 | C11 | C10 | H16 | 0.0° | 0.3° |
| H2 | C18 | C2 | H9 | 28.1° | 23.0° |
| H2 | C18 | C19 | H15 | 106.8° | 66.1° |
| H3 | C6 | C15 | H10 | 18.9° | 144.4° |
| H3 | C6 | C15 | H11 | 138.6° | 21.2° |
| H3 | C6 | N1 | H23 | 144.5° | 117.2° |
| H6 | C5 | C4 | H7 | 114.8° | 160.1° |
| H6 | C5 | N1 | H23 | 17.5° | 27.6° |
| H5 | C5 | C4 | H7 | 5.2° | 37.8° |
| H5 | C5 | N1 | H23 | 137.5° | 94.7° |
| H7 | C4 | C15 | H10 | 6.3° | 159.1° |
| H7 | C4 | C15 | H11 | 126.0° | 35.9° |
| H24 | C3 | C2 | H9 | 145.7° | 99.9° |
| H9 | C2 | C1 | H12 | 57.0° | 175.4° |
| H9 | C2 | C1 | H14 | 63.0° | 55.3° |
| H9 | C2 | C1 | H13 | 177.1° | 64.6° |
| H12 | C1 | H14 | H13 | 120.0° | 120.0° |
| H15 | C19 | C21 | H17 | 174.9° | 60.0° |
| H16 | C10 | C9 | H21 | 0.3° | 0.4° |
| H17 | C21 | C22 | H19 | 59.5° | 60.1° |
| H17 | C21 | C22 | H20 | 179.5° | 60.0° |
| H17 | C21 | C22 | H18 | 60.5° | 180.0° |
| H17 | C21 | O8 | H28 | 60.2° | 60.0° |
| H19 | C22 | H20 | H18 | 120.0° | 119.9° |
