A1I4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C13 | sing | 1.47Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C12 | S1 | sing | 1.81Å | 1.84Å | |
| C14 | O5 | doub | 1.21Å | 1.26Å | |
| C14 | O4 | sing | 1.34Å | 1.26Å | |
| S1 | C11 | sing | 1.81Å | 1.82Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| O1 | C5 | sing | 1.44Å | 1.44Å | |
| O1 | C4 | sing | 1.43Å | 1.48Å | |
| C3 | C2 | doub | 1.30Å | 1.34Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | C10 | sing | 1.55Å | 1.53Å | |
| C2 | C17 | sing | 1.52Å | 1.56Å | |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | C15 | sing | 1.53Å | 1.59Å | |
| C6 | C7 | sing | 1.54Å | 1.55Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| C10 | C8 | sing | 1.56Å | 1.60Å | |
| C17 | C18 | sing | 1.56Å | 1.57Å | |
| C17 | O7 | sing | 1.43Å | 1.40Å | |
| C17 | O6 | sing | 1.45Å | 1.43Å | |
| C18 | C15 | sing | 1.55Å | 1.59Å | |
| C18 | O8 | sing | 1.43Å | 1.43Å | |
| C15 | C8 | sing | 1.52Å | 1.60Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.55Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| O6 | C16 | sing | 1.44Å | 1.45Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O4 | H13 | sing | 0.97Å | 0.95Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| N1 | H23 | sing | 1.01Å | 1.00Å | |
| N1 | H24 | sing | 1.01Å | 1.00Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C13 | C12 | 109.6° | 109.5° |
| N1 | C13 | C14 | 108.1° | 109.5° |
| N1 | C13 | H22 | 106.7° | 109.4° |
| C13 | N1 | H23 | 109.5° | 111.0° |
| C13 | N1 | H24 | 109.5° | 111.0° |
| C12 | C13 | C14 | 119.5° | 109.5° |
| C13 | C12 | S1 | 124.9° | 109.5° |
| C13 | C12 | H3 | 105.5° | 109.5° |
| C13 | C12 | H4 | 105.5° | 109.5° |
| C12 | C13 | H22 | 106.1° | 109.5° |
| C13 | C14 | O5 | 117.3° | 120.0° |
| C13 | C14 | O4 | 117.7° | 120.0° |
| C14 | C13 | H22 | 106.1° | 109.5° |
| C12 | S1 | C11 | 107.9° | 103.0° |
| S1 | C12 | H3 | 105.5° | 109.5° |
| S1 | C12 | H4 | 105.5° | 109.4° |
| O5 | C14 | O4 | 125.0° | 120.0° |
| C14 | O4 | H13 | 109.5° | 117.0° |
| S1 | C11 | C10 | 119.0° | 109.4° |
| S1 | C11 | H1 | 107.0° | 109.5° |
| S1 | C11 | H2 | 107.0° | 109.5° |
| C1 | C2 | C3 | 120.1° | 119.2° |
| C1 | C2 | C17 | 121.1° | 119.2° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C5 | O1 | C4 | 115.0° | 114.6° |
| O1 | C5 | C6 | 115.9° | 108.0° |
| O1 | C5 | C10 | 110.4° | 106.7° |
| O1 | C5 | H15 | 111.4° | 112.4° |
| O1 | C4 | C3 | 105.0° | 108.5° |
| O1 | C4 | C15 | 116.5° | 110.9° |
| O1 | C4 | H14 | 106.6° | 109.0° |
| C2 | C3 | C4 | 121.0° | 123.1° |
| C3 | C2 | C17 | 118.8° | 121.5° |
| C2 | C3 | H11 | 119.5° | 118.2° |
| C3 | C4 | C15 | 116.5° | 110.0° |
| C4 | C3 | H11 | 119.5° | 118.7° |
| C3 | C4 | H14 | 106.2° | 110.0° |
| C6 | C5 | C10 | 98.2° | 103.6° |
| C5 | C6 | O2 | 108.8° | 110.1° |
| C5 | C6 | C7 | 107.1° | 106.3° |
| C6 | C5 | H15 | 110.1° | 113.0° |
| C5 | C6 | H16 | 107.4° | 110.1° |
| C5 | C10 | C11 | 107.2° | 111.2° |
| C5 | C10 | O3 | 111.6° | 111.1° |
| C5 | C10 | C8 | 102.5° | 100.9° |
| C10 | C5 | H15 | 110.0° | 112.6° |
| C2 | C17 | C18 | 110.7° | 106.1° |
| C2 | C17 | O7 | 119.9° | 113.1° |
| C2 | C17 | O6 | 108.6° | 106.6° |
| O2 | C6 | C7 | 117.3° | 110.1° |
| C6 | O2 | H10 | 109.5° | 114.0° |
| O2 | C6 | H16 | 108.8° | 110.1° |
| C11 | C10 | O3 | 100.7° | 111.0° |
| C11 | C10 | C8 | 123.2° | 111.2° |
| C10 | C11 | H1 | 107.1° | 109.5° |
| C10 | C11 | H2 | 107.0° | 109.4° |
| C4 | C15 | C18 | 110.3° | 108.0° |
| C4 | C15 | C8 | 108.3° | 111.7° |
| C4 | C15 | C16 | 108.5° | 110.5° |
| C15 | C4 | H14 | 105.3° | 108.5° |
| C6 | C7 | C8 | 106.8° | 105.8° |
| C7 | C6 | H16 | 107.1° | 110.1° |
| C6 | C7 | H17 | 110.2° | 110.2° |
| C6 | C7 | H18 | 110.1° | 110.2° |
| O3 | C10 | C8 | 111.6° | 111.1° |
| C10 | O3 | H12 | 109.5° | 113.9° |
| C10 | C8 | C15 | 108.9° | 106.2° |
| C10 | C8 | C7 | 97.0° | 103.0° |
| C10 | C8 | C9 | 110.7° | 113.1° |
| C18 | C17 | O7 | 102.5° | 113.3° |
| C18 | C17 | O6 | 103.5° | 103.8° |
| C17 | C18 | C15 | 97.5° | 98.3° |
| C17 | C18 | O8 | 110.8° | 111.6° |
| C17 | C18 | H27 | 108.1° | 111.6° |
| O7 | C17 | O6 | 110.2° | 113.2° |
| C17 | O7 | H26 | 109.5° | 114.1° |
| C17 | O6 | C16 | 108.4° | 108.6° |
| C15 | C18 | O8 | 121.5° | 111.6° |
| C18 | C15 | C8 | 119.3° | 111.4° |
| C18 | C15 | C16 | 96.9° | 102.8° |
| C15 | C18 | H27 | 107.9° | 111.6° |
| O8 | C18 | H27 | 109.9° | 111.5° |
| C18 | O8 | H28 | 109.5° | 114.0° |
| C8 | C15 | C16 | 112.9° | 112.1° |
| C15 | C8 | C7 | 113.2° | 107.1° |
| C15 | C8 | C9 | 115.5° | 113.6° |
| C15 | C16 | O6 | 107.5° | 106.8° |
| C15 | C16 | H5 | 109.9° | 110.0° |
| C15 | C16 | H6 | 110.0° | 110.0° |
| C7 | C8 | C9 | 110.0° | 113.1° |
| C8 | C7 | H17 | 110.1° | 110.1° |
| C8 | C7 | H18 | 110.1° | 110.2° |
| C8 | C9 | H19 | 109.5° | 109.5° |
| C8 | C9 | H20 | 109.5° | 109.4° |
| C8 | C9 | H21 | 109.5° | 109.4° |
| O6 | C16 | H5 | 110.0° | 110.0° |
| O6 | C16 | H6 | 110.0° | 110.1° |
| H1 | C11 | H2 | 109.4° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H5 | C16 | H6 | 109.5° | 109.9° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.4° |
| H17 | C7 | H18 | 109.5° | 110.2° |
| H19 | C9 | H20 | 109.4° | 109.5° |
| H19 | C9 | H21 | 109.5° | 109.5° |
| H20 | C9 | H21 | 109.5° | 109.5° |
| H23 | N1 | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C13 | C12 | C14 | 125.5° | 120.0° |
| N1 | C13 | C12 | H22 | 114.8° | 120.0° |
| N1 | C13 | C14 | H22 | 114.1° | 120.0° |
| N1 | C13 | C12 | S1 | 105.1° | 60.0° |
| N1 | C13 | C14 | O5 | 128.9° | 20.0° |
| N1 | C13 | C14 | O4 | 49.5° | 160.0° |
| N1 | C13 | C12 | H3 | 132.8° | 180.0° |
| N1 | C13 | C12 | H4 | 17.0° | 60.0° |
| C13 | N1 | H23 | H24 | 120.0° | 123.9° |
| C12 | C13 | C14 | H22 | 119.7° | 120.0° |
| C13 | C12 | S1 | H3 | 122.1° | 120.0° |
| C13 | C12 | S1 | H4 | 122.1° | 120.0° |
| C12 | C13 | C14 | O5 | 104.9° | 100.0° |
| C12 | C13 | C14 | O4 | 76.7° | 80.0° |
| C13 | C12 | S1 | C11 | 60.5° | 180.0° |
| C13 | C12 | H3 | H4 | 113.1° | 120.0° |
| C12 | C13 | N1 | H23 | 180.0° | 176.1° |
| C12 | C13 | N1 | H24 | 60.0° | 60.0° |
| C14 | C13 | C12 | S1 | 20.4° | 180.0° |
| C13 | C14 | O5 | O4 | 178.2° | 180.0° |
| C14 | C13 | C12 | H3 | 101.7° | 60.0° |
| C14 | C13 | C12 | H4 | 142.5° | 60.0° |
| C13 | C14 | O4 | H13 | 178.2° | 180.0° |
| C14 | C13 | N1 | H23 | 48.2° | 63.9° |
| C14 | C13 | N1 | H24 | 71.9° | 60.0° |
| C12 | S1 | C11 | C10 | 115.9° | 180.0° |
| C12 | S1 | C11 | H1 | 122.7° | 60.0° |
| C12 | S1 | C11 | H2 | 5.5° | 60.0° |
| S1 | C12 | H3 | H4 | 113.1° | 120.0° |
| S1 | C12 | C13 | H22 | 140.1° | 60.0° |
| O5 | C14 | O4 | H13 | 0.0° | 0.0° |
| O5 | C14 | C13 | H22 | 14.7° | 140.0° |
| O4 | C14 | C13 | H22 | 163.6° | 40.0° |
| S1 | C11 | C10 | C5 | 69.5° | 6.3° |
| S1 | C11 | C10 | H1 | 121.4° | 120.0° |
| S1 | C11 | C10 | H2 | 121.4° | 120.0° |
| S1 | C11 | C10 | O3 | 47.3° | 130.6° |
| S1 | C11 | C10 | C8 | 172.2° | 105.2° |
| S1 | C11 | H1 | H2 | 115.7° | 120.1° |
| C11 | S1 | C12 | H3 | 61.5° | 60.0° |
| C11 | S1 | C12 | H4 | 177.4° | 60.0° |
| C1 | C2 | C3 | C17 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 179.5° | 178.9° |
| C1 | C2 | C17 | C18 | 139.1° | 146.3° |
| C1 | C2 | C17 | O7 | 20.1° | 21.5° |
| C1 | C2 | C17 | O6 | 107.8° | 103.6° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | C3 | H11 | 0.5° | 0.2° |
| C5 | O1 | C4 | C3 | 173.6° | 172.4° |
| O1 | C5 | C6 | C10 | 117.5° | 113.0° |
| O1 | C5 | C6 | H15 | 127.5° | 124.9° |
| O1 | C5 | C10 | H15 | 123.3° | 123.7° |
| O1 | C5 | C6 | O2 | 42.9° | 31.4° |
| O1 | C5 | C10 | C11 | 60.6° | 46.4° |
| C5 | O1 | C4 | C15 | 43.2° | 51.6° |
| O1 | C5 | C6 | C7 | 84.8° | 87.8° |
| O1 | C5 | C10 | O3 | 170.0° | 170.6° |
| O1 | C5 | C10 | C8 | 70.4° | 71.6° |
| C5 | O1 | C4 | H14 | 73.9° | 67.8° |
| O1 | C5 | C6 | H16 | 160.4° | 153.0° |
| O1 | C4 | C3 | C2 | 134.9° | 117.2° |
| O1 | C4 | C3 | C15 | 130.4° | 121.4° |
| O1 | C4 | C3 | H14 | 112.7° | 119.2° |
| C4 | O1 | C5 | C6 | 50.9° | 45.2° |
| C4 | O1 | C5 | C10 | 59.6° | 65.7° |
| O1 | C4 | C15 | H14 | 117.8° | 119.7° |
| O1 | C4 | C15 | C18 | 92.5° | 74.8° |
| O1 | C4 | C15 | C8 | 39.6° | 48.0° |
| O1 | C4 | C15 | C16 | 162.5° | 173.5° |
| O1 | C4 | C3 | H11 | 45.1° | 64.1° |
| C4 | O1 | C5 | H15 | 177.9° | 170.5° |
| C2 | C3 | C4 | H11 | 180.0° | 178.6° |
| C2 | C3 | C4 | C15 | 4.5° | 4.2° |
| C3 | C2 | C17 | C18 | 40.7° | 33.7° |
| C3 | C2 | C17 | O7 | 159.8° | 158.5° |
| C3 | C2 | C17 | O6 | 72.3° | 76.4° |
| C3 | C2 | C1 | H7 | 180.0° | 90.0° |
| C3 | C2 | C1 | H8 | 60.0° | 30.0° |
| C3 | C2 | C1 | H9 | 60.0° | 150.0° |
| C2 | C3 | C4 | H14 | 112.4° | 123.6° |
| C4 | C3 | C2 | C17 | 0.6° | 1.2° |
| C3 | C4 | C15 | H14 | 117.4° | 120.3° |
| C3 | C4 | C15 | C18 | 32.2° | 45.2° |
| C3 | C4 | C15 | C8 | 164.4° | 168.0° |
| C3 | C4 | C15 | C16 | 72.7° | 66.5° |
| C6 | C5 | C10 | H15 | 115.0° | 122.4° |
| C5 | C6 | O2 | C7 | 121.7° | 116.8° |
| C5 | C6 | O2 | H16 | 116.7° | 121.6° |
| C6 | C5 | C10 | C11 | 177.7° | 160.2° |
| C5 | C6 | C7 | H16 | 114.9° | 119.2° |
| C6 | C5 | C10 | O3 | 68.3° | 75.5° |
| C6 | C5 | C10 | C8 | 51.3° | 42.3° |
| C5 | C6 | C7 | C8 | 2.1° | 2.1° |
| C5 | C6 | O2 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | H17 | 117.5° | 121.2° |
| C5 | C6 | C7 | H18 | 121.7° | 117.0° |
| C10 | C5 | C6 | O2 | 160.4° | 144.4° |
| C5 | C10 | C11 | O3 | 116.8° | 124.3° |
| C5 | C10 | C11 | C8 | 118.3° | 111.5° |
| C10 | C5 | C6 | C7 | 32.7° | 25.2° |
| C5 | C10 | O3 | C8 | 114.1° | 111.4° |
| C5 | C10 | C8 | C15 | 68.0° | 68.9° |
| C5 | C10 | C8 | C7 | 49.6° | 43.5° |
| C5 | C10 | C8 | C9 | 164.1° | 165.9° |
| C5 | C10 | C11 | H1 | 169.1° | 126.4° |
| C5 | C10 | C11 | H2 | 51.9° | 113.7° |
| C5 | C10 | O3 | H12 | 180.0° | 68.6° |
| C10 | C5 | C6 | H16 | 82.1° | 94.0° |
| C2 | C17 | C18 | O7 | 129.1° | 124.7° |
| C2 | C17 | C18 | O6 | 116.2° | 112.2° |
| C2 | C17 | O7 | O6 | 127.2° | 121.5° |
| C2 | C17 | C18 | C15 | 70.5° | 69.1° |
| C2 | C17 | C18 | O8 | 161.6° | 173.6° |
| C2 | C17 | O6 | C16 | 93.3° | 80.8° |
| C17 | C2 | C1 | H7 | 0.2° | 90.0° |
| C17 | C2 | C1 | H8 | 119.9° | 150.0° |
| C17 | C2 | C1 | H9 | 120.1° | 30.1° |
| C17 | C2 | C3 | H11 | 179.4° | 179.8° |
| C2 | C17 | O7 | H26 | 180.0° | 59.2° |
| C2 | C17 | C18 | H27 | 41.1° | 48.2° |
| O2 | C6 | C7 | H16 | 122.5° | 121.6° |
| O2 | C6 | C7 | C8 | 124.7° | 117.1° |
| O2 | C6 | C5 | H15 | 84.7° | 93.5° |
| O2 | C6 | C7 | H17 | 5.1° | 2.0° |
| O2 | C6 | C7 | H18 | 115.7° | 123.7° |
| C11 | C10 | O3 | C8 | 132.4° | 124.2° |
| C11 | C10 | C8 | C15 | 52.6° | 49.1° |
| C11 | C10 | C8 | C7 | 170.1° | 161.5° |
| C11 | C10 | C8 | C9 | 75.3° | 76.1° |
| C10 | C11 | H1 | H2 | 115.7° | 120.0° |
| C11 | C10 | O3 | H12 | 66.5° | 55.7° |
| C11 | C10 | C5 | H15 | 62.7° | 77.3° |
| C4 | C15 | C8 | C10 | 53.1° | 59.4° |
| C4 | C15 | C18 | C17 | 65.2° | 77.8° |
| C4 | C15 | C18 | C8 | 126.2° | 123.0° |
| C4 | C15 | C18 | C16 | 112.7° | 116.8° |
| C4 | C15 | C18 | O8 | 174.7° | 165.0° |
| C4 | C15 | C8 | C16 | 120.2° | 124.6° |
| C4 | C15 | C8 | C7 | 53.6° | 50.1° |
| C4 | C15 | C8 | C9 | 178.3° | 175.6° |
| C4 | C15 | C16 | O6 | 78.2° | 92.3° |
| C4 | C15 | C16 | H5 | 41.5° | 27.0° |
| C4 | C15 | C16 | H6 | 162.1° | 148.3° |
| C15 | C4 | C3 | H11 | 175.5° | 174.4° |
| C4 | C15 | C18 | H27 | 46.5° | 39.5° |
| C6 | C7 | C8 | C10 | 27.9° | 28.5° |
| C6 | C7 | C8 | C15 | 86.2° | 83.3° |
| C6 | C7 | C8 | H17 | 119.6° | 119.1° |
| C6 | C7 | C8 | H18 | 119.6° | 119.1° |
| C6 | C7 | C8 | C9 | 142.9° | 150.9° |
| C7 | C6 | O2 | H10 | 58.3° | 63.1° |
| C7 | C6 | C5 | H15 | 147.6° | 147.3° |
| C6 | C7 | H17 | H18 | 121.2° | 121.8° |
| O3 | C10 | C8 | C15 | 172.5° | 173.3° |
| O3 | C10 | C8 | C7 | 70.0° | 74.4° |
| O3 | C10 | C8 | C9 | 44.5° | 48.0° |
| O3 | C10 | C11 | H1 | 74.1° | 109.3° |
| O3 | C10 | C11 | H2 | 168.7° | 10.6° |
| O3 | C10 | C5 | H15 | 46.7° | 46.9° |
| C10 | C8 | C15 | C18 | 74.1° | 61.4° |
| C10 | C8 | C15 | C7 | 106.7° | 109.5° |
| C10 | C8 | C15 | C9 | 125.2° | 125.0° |
| C10 | C8 | C15 | C16 | 173.3° | 176.0° |
| C10 | C8 | C7 | C9 | 115.0° | 122.4° |
| C8 | C10 | C11 | H1 | 50.8° | 14.8° |
| C8 | C10 | C11 | H2 | 66.5° | 134.8° |
| C8 | C10 | O3 | H12 | 65.9° | 180.0° |
| C8 | C10 | C5 | H15 | 166.3° | 164.7° |
| C10 | C8 | C7 | H17 | 147.5° | 147.6° |
| C10 | C8 | C7 | H18 | 91.7° | 90.7° |
| C10 | C8 | C9 | H19 | 180.0° | 64.4° |
| C10 | C8 | C9 | H20 | 60.0° | 175.6° |
| C10 | C8 | C9 | H21 | 60.0° | 55.6° |
| C18 | C17 | O7 | O6 | 109.7° | 117.8° |
| C17 | C18 | C15 | O8 | 120.1° | 117.2° |
| C17 | C18 | C15 | H27 | 111.8° | 117.3° |
| C17 | C18 | O8 | H27 | 119.4° | 125.5° |
| C17 | C18 | C15 | C8 | 168.5° | 159.2° |
| C17 | C18 | C15 | C16 | 47.4° | 39.0° |
| C18 | C17 | O6 | C16 | 24.4° | 31.0° |
| C18 | C17 | O7 | H26 | 56.9° | 180.0° |
| C17 | C18 | O8 | H28 | 180.0° | 61.5° |
| O7 | C17 | C18 | C15 | 160.5° | 166.2° |
| O7 | C17 | C18 | O8 | 32.6° | 49.0° |
| O7 | C17 | O6 | C16 | 133.5° | 154.2° |
| O7 | C17 | C18 | H27 | 87.9° | 76.5° |
| O6 | C17 | C18 | C15 | 45.8° | 43.1° |
| O6 | C17 | C18 | O8 | 82.1° | 74.2° |
| C17 | O6 | C16 | C15 | 8.0° | 5.2° |
| C17 | O6 | C16 | H5 | 127.7° | 114.1° |
| C17 | O6 | C16 | H6 | 111.7° | 124.6° |
| O6 | C17 | O7 | H26 | 52.8° | 62.2° |
| O6 | C17 | C18 | H27 | 157.4° | 160.3° |
| C15 | C18 | O8 | H27 | 127.2° | 125.5° |
| C18 | C15 | C8 | C16 | 112.7° | 114.5° |
| C18 | C15 | C8 | C7 | 179.2° | 171.0° |
| C18 | C15 | C8 | C9 | 51.1° | 63.5° |
| C18 | C15 | C16 | O6 | 35.9° | 22.7° |
| C18 | C15 | C16 | H5 | 155.6° | 142.0° |
| C18 | C15 | C16 | H6 | 83.8° | 96.7° |
| C18 | C15 | C4 | H14 | 149.6° | 165.5° |
| C15 | C18 | O8 | H28 | 66.6° | 170.5° |
| O8 | C18 | C15 | C8 | 48.4° | 42.0° |
| O8 | C18 | C15 | C16 | 72.7° | 78.2° |
| C15 | C8 | C7 | C9 | 130.9° | 125.8° |
| C8 | C15 | C16 | O6 | 161.8° | 142.4° |
| C8 | C15 | C16 | H5 | 78.5° | 98.3° |
| C8 | C15 | C16 | H6 | 42.0° | 23.0° |
| C8 | C15 | C4 | H14 | 78.2° | 71.7° |
| C15 | C8 | C7 | H17 | 33.4° | 35.8° |
| C15 | C8 | C7 | H18 | 154.2° | 157.6° |
| C15 | C8 | C9 | H19 | 55.7° | 56.8° |
| C15 | C8 | C9 | H20 | 175.7° | 63.2° |
| C15 | C8 | C9 | H21 | 64.3° | 176.8° |
| C8 | C15 | C18 | H27 | 79.7° | 83.5° |
| C16 | C15 | C8 | C7 | 66.5° | 74.5° |
| C16 | C15 | C8 | C9 | 61.6° | 51.0° |
| C15 | C16 | O6 | H5 | 119.7° | 119.3° |
| C15 | C16 | O6 | H6 | 119.7° | 119.4° |
| C15 | C16 | H5 | H6 | 120.9° | 121.3° |
| C16 | C15 | C4 | H14 | 44.7° | 53.8° |
| C16 | C15 | C18 | H27 | 159.2° | 156.3° |
| C8 | C7 | C6 | H16 | 112.8° | 121.3° |
| C8 | C7 | H17 | H18 | 121.2° | 121.8° |
| C7 | C8 | C9 | H19 | 73.9° | 179.0° |
| C7 | C8 | C9 | H20 | 46.0° | 59.0° |
| C7 | C8 | C9 | H21 | 166.0° | 60.9° |
| C9 | C8 | C7 | H17 | 97.5° | 90.0° |
| C9 | C8 | C7 | H18 | 23.4° | 31.8° |
| C8 | C9 | H19 | H20 | 120.0° | 120.0° |
| C8 | C9 | H19 | H21 | 120.0° | 120.0° |
| C8 | C9 | H20 | H21 | 120.0° | 120.0° |
| O6 | C16 | H5 | H6 | 120.9° | 121.4° |
| H3 | C12 | C13 | H22 | 18.0° | 60.1° |
| H4 | C12 | C13 | H22 | 97.8° | 180.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H10 | O2 | C6 | H16 | 63.4° | 58.4° |
| H11 | C3 | C4 | H14 | 67.5° | 55.0° |
| H15 | C5 | C6 | H16 | 32.9° | 28.1° |
| H16 | C6 | C7 | H17 | 127.6° | 119.6° |
| H16 | C6 | C7 | H18 | 6.8° | 2.2° |
| H19 | C9 | H20 | H21 | 120.0° | 120.1° |
| H22 | C13 | N1 | H23 | 65.5° | 56.1° |
| H22 | C13 | N1 | H24 | 174.4° | 180.0° |
| H27 | C18 | O8 | H28 | 60.6° | 64.0° |
