A1INI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O | C4 | sing | 1.43Å | 1.42Å | |
| C3 | N | sing | 1.47Å | 1.45Å | |
| N | C5 | sing | 1.38Å | 1.37Å | |
| C5 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.37Å | Aromatic |
| N2 | C8 | doub | 1.33Å | 1.33Å | Aromatic |
| C5 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | N4 | doub | 1.30Å | 1.30Å | Aromatic |
| N4 | C7 | sing | 1.36Å | 1.38Å | Aromatic |
| C10 | N3 | sing | 1.46Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | N5 | sing | 1.38Å | 1.34Å | |
| N5 | C13 | sing | 1.46Å | 1.45Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| C15 | N6 | sing | 1.47Å | 1.49Å | |
| C16 | N6 | sing | 1.47Å | 1.48Å | |
| C13 | C16 | sing | 1.55Å | 1.53Å | |
| N6 | S | sing | 1.66Å | 1.62Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| C17 | S | sing | 1.81Å | 1.75Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 110.9° | 109.5° |
| C | C1 | C3 | 112.9° | 109.5° |
| C | C1 | H5 | 106.8° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.4° |
| C2 | C1 | C3 | 112.5° | 109.4° |
| C2 | C1 | H5 | 106.8° | 109.5° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.4° | 109.5° |
| C1 | C3 | C4 | 113.6° | 109.5° |
| C1 | C3 | N | 110.5° | 109.4° |
| C3 | C1 | H5 | 106.5° | 109.4° |
| C1 | C3 | H | 107.3° | 109.5° |
| C3 | C4 | O | 109.1° | 109.5° |
| C4 | C3 | N | 109.0° | 109.4° |
| C4 | C3 | H | 107.7° | 109.5° |
| C3 | C4 | H9 | 109.6° | 109.4° |
| C3 | C4 | H10 | 109.6° | 109.5° |
| O | C4 | H9 | 109.6° | 109.5° |
| O | C4 | H10 | 109.6° | 109.5° |
| C4 | O | H11 | 109.5° | 114.0° |
| C3 | N | C5 | 123.7° | 120.0° |
| N | C3 | H | 108.5° | 109.4° |
| C3 | N | H12 | 105.8° | 120.0° |
| N | C5 | N1 | 117.0° | 118.9° |
| N | C5 | N2 | 115.8° | 118.9° |
| C5 | N | H12 | 105.8° | 120.0° |
| C5 | N1 | C6 | 118.2° | 121.2° |
| N1 | C5 | N2 | 127.2° | 122.2° |
| N1 | C6 | C7 | 119.2° | 118.5° |
| N1 | C6 | N5 | 118.5° | 120.7° |
| C6 | C7 | C8 | 116.5° | 118.3° |
| C6 | C7 | N4 | 132.8° | 134.5° |
| C7 | C6 | N5 | 122.3° | 120.7° |
| C7 | C8 | N2 | 126.3° | 119.2° |
| C7 | C8 | N3 | 106.0° | 106.0° |
| C8 | C7 | N4 | 110.7° | 107.2° |
| C8 | N2 | C5 | 112.6° | 120.6° |
| N2 | C8 | N3 | 127.7° | 134.8° |
| C8 | N3 | C9 | 105.5° | 107.4° |
| C8 | N3 | C10 | 127.4° | 126.3° |
| N3 | C9 | N4 | 113.9° | 110.0° |
| C9 | N3 | C10 | 127.2° | 126.3° |
| N3 | C9 | H13 | 123.1° | 125.0° |
| C9 | N4 | C7 | 104.0° | 109.4° |
| N4 | C9 | H13 | 123.0° | 125.0° |
| N3 | C10 | C11 | 112.5° | 109.5° |
| N3 | C10 | C12 | 110.6° | 109.5° |
| N3 | C10 | H14 | 107.9° | 109.5° |
| C11 | C10 | C12 | 110.6° | 109.5° |
| C11 | C10 | H14 | 107.6° | 109.5° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.4° | 109.4° |
| C12 | C10 | H14 | 107.5° | 109.4° |
| C10 | C12 | H18 | 109.5° | 109.5° |
| C10 | C12 | H19 | 109.4° | 109.5° |
| C10 | C12 | H20 | 109.5° | 109.4° |
| C6 | N5 | C13 | 123.7° | 120.0° |
| C6 | N5 | H21 | 105.8° | 120.0° |
| N5 | C13 | C14 | 114.9° | 111.0° |
| N5 | C13 | C16 | 110.2° | 111.0° |
| N5 | C13 | H1 | 109.7° | 110.9° |
| C13 | N5 | H21 | 105.8° | 120.1° |
| C13 | C14 | C15 | 100.8° | 103.0° |
| C14 | C13 | C16 | 104.6° | 101.5° |
| C14 | C13 | H1 | 108.7° | 111.0° |
| C13 | C14 | H23 | 111.6° | 110.7° |
| C13 | C14 | H22 | 111.6° | 110.7° |
| C14 | C15 | N6 | 104.7° | 107.3° |
| C15 | C14 | H23 | 111.6° | 110.7° |
| C15 | C14 | H22 | 111.6° | 110.7° |
| C14 | C15 | H25 | 110.7° | 109.9° |
| C14 | C15 | H24 | 110.6° | 109.9° |
| C15 | N6 | C16 | 110.5° | 108.7° |
| C15 | N6 | S | 117.4° | 125.7° |
| N6 | C15 | H25 | 110.6° | 109.9° |
| N6 | C15 | H24 | 110.7° | 109.8° |
| N6 | C16 | C13 | 101.7° | 104.8° |
| C16 | N6 | S | 121.7° | 125.6° |
| N6 | C16 | H27 | 111.3° | 110.4° |
| N6 | C16 | H26 | 111.4° | 110.3° |
| C16 | C13 | H1 | 108.6° | 111.0° |
| C13 | C16 | H27 | 111.4° | 110.3° |
| C13 | C16 | H26 | 111.4° | 110.4° |
| N6 | S | O1 | 106.3° | 104.2° |
| N6 | S | O2 | 107.3° | 104.3° |
| N6 | S | C17 | 107.6° | 104.5° |
| O1 | S | O2 | 118.9° | 121.0° |
| O1 | S | C17 | 108.4° | 110.5° |
| O2 | S | C17 | 107.7° | 110.6° |
| S | C17 | H28 | 109.5° | 109.4° |
| S | C17 | H30 | 109.5° | 109.5° |
| S | C17 | H29 | 109.5° | 109.5° |
| H8 | C2 | H7 | 109.5° | 109.4° |
| H8 | C2 | H6 | 109.5° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.4° |
| H15 | C11 | H17 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C11 | H16 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H23 | C14 | H22 | 109.5° | 110.8° |
| H25 | C15 | H24 | 109.5° | 110.0° |
| H27 | C16 | H26 | 109.5° | 110.4° |
| H28 | C17 | H30 | 109.5° | 109.4° |
| H28 | C17 | H29 | 109.4° | 109.4° |
| H30 | C17 | H29 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H4 | C | H2 | 109.4° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | C3 | 127.5° | 120.0° |
| C | C1 | C2 | H5 | 116.0° | 120.1° |
| C | C1 | C3 | H5 | 116.9° | 120.0° |
| C | C1 | C3 | C4 | 170.5° | 176.6° |
| C | C1 | C3 | N | 66.7° | 56.6° |
| C | C1 | C2 | H8 | 180.0° | 65.5° |
| C | C1 | C2 | H7 | 60.0° | 174.6° |
| C | C1 | C2 | H6 | 60.0° | 54.6° |
| C | C1 | C3 | H | 51.5° | 63.3° |
| C1 | C | H4 | H2 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H5 | 116.6° | 120.0° |
| C2 | C1 | C3 | C4 | 63.1° | 63.4° |
| C2 | C1 | C3 | N | 59.8° | 176.6° |
| C1 | C2 | H8 | H7 | 120.0° | 120.0° |
| C1 | C2 | H8 | H6 | 120.0° | 120.0° |
| C1 | C2 | H7 | H6 | 120.0° | 120.0° |
| C2 | C1 | C3 | H | 177.9° | 56.7° |
| C2 | C1 | C | H4 | 180.0° | 60.0° |
| C2 | C1 | C | H2 | 60.0° | 60.0° |
| C2 | C1 | C | H3 | 60.0° | 180.0° |
| C1 | C3 | C4 | N | 123.7° | 119.9° |
| C1 | C3 | C4 | H | 118.7° | 120.1° |
| C1 | C3 | C4 | O | 67.5° | 55.5° |
| C1 | C3 | N | H | 117.4° | 120.0° |
| C1 | C3 | N | C5 | 163.8° | 155.0° |
| C3 | C1 | C2 | H8 | 52.5° | 54.5° |
| C3 | C1 | C2 | H7 | 67.5° | 65.4° |
| C3 | C1 | C2 | H6 | 172.5° | 174.6° |
| C1 | C3 | N | H12 | 41.8° | 25.0° |
| C1 | C3 | C4 | H9 | 172.6° | 64.5° |
| C1 | C3 | C4 | H10 | 52.5° | 175.5° |
| C3 | C1 | C | H4 | 52.7° | 60.0° |
| C3 | C1 | C | H2 | 172.7° | 179.9° |
| C3 | C1 | C | H3 | 67.3° | 60.0° |
| C3 | C4 | O | H9 | 119.9° | 120.0° |
| C3 | C4 | O | H10 | 120.0° | 120.1° |
| C4 | C3 | N | H | 117.1° | 120.0° |
| C4 | C3 | N | C5 | 70.8° | 85.0° |
| C4 | C3 | C1 | H5 | 53.6° | 56.6° |
| C4 | C3 | N | H12 | 167.3° | 95.0° |
| C3 | C4 | H9 | H10 | 120.2° | 120.0° |
| C3 | C4 | O | H11 | 180.0° | 180.0° |
| O | C4 | C3 | N | 168.8° | 64.5° |
| O | C4 | C3 | H | 51.3° | 175.5° |
| O | C4 | H9 | H10 | 120.2° | 120.0° |
| C3 | N | C5 | H12 | 121.9° | 180.0° |
| C3 | N | C5 | N1 | 13.5° | 0.0° |
| C3 | N | C5 | N2 | 166.5° | 180.0° |
| N | C3 | C1 | H5 | 176.4° | 63.4° |
| N | C3 | C4 | H9 | 48.9° | 175.5° |
| N | C3 | C4 | H10 | 71.2° | 55.6° |
| N | C5 | N1 | N2 | 179.9° | 180.0° |
| N | C5 | N1 | C6 | 180.0° | 180.0° |
| N | C5 | N2 | C8 | 180.0° | 180.0° |
| C5 | N | C3 | H | 46.3° | 35.0° |
| C5 | N1 | C6 | C7 | 0.0° | 0.1° |
| N1 | C5 | N2 | C8 | 0.1° | 0.0° |
| C5 | N1 | C6 | N5 | 180.0° | 180.0° |
| N1 | C5 | N | H12 | 108.4° | 180.0° |
| N1 | C6 | C7 | N5 | 179.9° | 179.9° |
| N1 | C6 | C7 | C8 | 0.1° | 0.1° |
| C6 | N1 | C5 | N2 | 0.1° | 0.1° |
| N1 | C6 | C7 | N4 | 179.8° | 179.6° |
| N1 | C6 | N5 | C13 | 4.2° | 0.0° |
| N1 | C6 | N5 | H21 | 126.2° | 179.9° |
| C6 | C7 | C8 | N4 | 179.7° | 179.8° |
| C6 | C7 | C8 | N2 | 0.2° | 0.0° |
| C6 | C7 | C8 | N3 | 179.8° | 180.0° |
| C6 | C7 | N4 | C9 | 180.0° | 180.0° |
| C7 | C6 | N5 | C13 | 175.9° | 180.0° |
| C7 | C6 | N5 | H21 | 53.9° | 0.0° |
| C7 | C8 | N2 | N3 | 180.0° | 179.9° |
| C7 | C8 | N2 | C5 | 0.1° | 0.0° |
| C7 | C8 | N3 | C9 | 0.2° | 0.1° |
| C8 | C7 | N4 | C9 | 0.3° | 0.3° |
| C7 | C8 | N3 | C10 | 179.9° | 180.0° |
| C8 | C7 | C6 | N5 | 179.9° | 180.0° |
| N2 | C8 | N3 | C9 | 179.8° | 179.9° |
| N2 | C8 | C7 | N4 | 179.9° | 179.8° |
| N2 | C8 | N3 | C10 | 0.1° | 0.1° |
| C5 | N2 | C8 | N3 | 179.9° | 179.9° |
| N2 | C5 | N | H12 | 71.5° | 0.0° |
| C8 | N3 | C9 | C10 | 179.7° | 179.9° |
| C8 | N3 | C9 | N4 | 0.5° | 0.1° |
| N3 | C8 | C7 | N4 | 0.1° | 0.2° |
| C8 | N3 | C10 | C11 | 67.3° | 120.0° |
| C8 | N3 | C10 | C12 | 56.9° | 120.0° |
| C8 | N3 | C9 | H13 | 179.5° | 179.9° |
| C8 | N3 | C10 | H14 | 174.2° | 0.0° |
| N3 | C9 | N4 | H13 | 180.0° | 179.9° |
| N3 | C9 | N4 | C7 | 0.5° | 0.2° |
| C9 | N3 | C10 | C11 | 112.3° | 59.9° |
| C9 | N3 | C10 | C12 | 123.5° | 60.1° |
| C9 | N3 | C10 | H14 | 6.2° | 179.9° |
| N4 | C9 | N3 | C10 | 179.8° | 179.8° |
| N4 | C7 | C6 | N5 | 0.3° | 0.3° |
| C7 | N4 | C9 | H13 | 179.5° | 179.9° |
| N3 | C10 | C11 | C12 | 124.2° | 120.0° |
| N3 | C10 | C11 | H14 | 118.7° | 120.0° |
| N3 | C10 | C12 | H14 | 117.6° | 120.0° |
| C10 | N3 | C9 | H13 | 0.2° | 0.0° |
| N3 | C10 | C11 | H15 | 180.0° | 180.0° |
| N3 | C10 | C11 | H17 | 60.0° | 60.0° |
| N3 | C10 | C11 | H16 | 60.0° | 60.0° |
| N3 | C10 | C12 | H18 | 180.0° | 60.0° |
| N3 | C10 | C12 | H19 | 60.0° | 180.0° |
| N3 | C10 | C12 | H20 | 60.0° | 60.0° |
| C11 | C10 | C12 | H14 | 117.2° | 120.0° |
| C10 | C11 | H15 | H17 | 120.0° | 120.0° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H17 | H16 | 120.0° | 120.0° |
| C11 | C10 | C12 | H18 | 54.7° | 180.0° |
| C11 | C10 | C12 | H19 | 174.7° | 59.9° |
| C11 | C10 | C12 | H20 | 65.3° | 60.0° |
| C12 | C10 | C11 | H15 | 55.8° | 60.0° |
| C12 | C10 | C11 | H17 | 64.2° | 180.0° |
| C12 | C10 | C11 | H16 | 175.8° | 60.0° |
| C10 | C12 | H18 | H19 | 120.0° | 120.0° |
| C10 | C12 | H18 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H20 | 120.0° | 120.0° |
| C6 | N5 | C13 | H21 | 121.9° | 179.9° |
| C6 | N5 | C13 | C14 | 151.2° | 86.5° |
| C6 | N5 | C13 | C16 | 91.0° | 161.4° |
| C6 | N5 | C13 | H1 | 28.5° | 37.5° |
| N5 | C13 | C14 | C16 | 120.9° | 118.0° |
| N5 | C13 | C14 | H1 | 123.3° | 123.9° |
| N5 | C13 | C14 | C15 | 163.3° | 82.5° |
| N5 | C13 | C16 | N6 | 158.2° | 81.0° |
| N5 | C13 | C16 | H1 | 120.1° | 123.9° |
| N5 | C13 | C14 | H23 | 78.1° | 159.1° |
| N5 | C13 | C14 | H22 | 44.7° | 35.9° |
| N5 | C13 | C16 | H27 | 83.1° | 160.2° |
| N5 | C13 | C16 | H26 | 39.4° | 37.8° |
| C13 | C14 | C15 | H23 | 118.6° | 118.4° |
| C13 | C14 | C15 | H22 | 118.6° | 118.4° |
| C13 | C14 | C15 | N6 | 33.6° | 22.1° |
| C14 | C13 | C16 | N6 | 34.2° | 37.1° |
| C14 | C13 | C16 | H1 | 115.9° | 118.1° |
| C13 | C14 | H23 | H22 | 124.0° | 123.2° |
| C13 | C14 | C15 | H25 | 85.7° | 97.3° |
| C13 | C14 | C15 | H24 | 152.8° | 141.4° |
| C14 | C13 | C16 | H27 | 152.9° | 81.8° |
| C14 | C13 | C16 | H26 | 84.6° | 155.9° |
| C14 | C13 | N5 | H21 | 29.3° | 93.6° |
| C14 | C15 | N6 | H25 | 119.3° | 119.5° |
| C14 | C15 | N6 | H24 | 119.2° | 119.4° |
| C14 | C15 | N6 | C16 | 13.3° | 1.2° |
| C15 | C14 | C13 | C16 | 42.4° | 35.5° |
| C14 | C15 | N6 | S | 158.8° | 179.0° |
| C15 | C14 | C13 | H1 | 73.4° | 153.6° |
| C15 | C14 | H23 | H22 | 124.0° | 123.2° |
| C14 | C15 | H25 | H24 | 122.2° | 121.1° |
| C15 | N6 | C16 | S | 143.8° | 179.8° |
| C15 | N6 | C16 | C13 | 12.8° | 24.3° |
| C15 | N6 | S | O1 | 41.1° | 26.1° |
| C15 | N6 | S | O2 | 169.4° | 153.9° |
| C15 | N6 | S | C17 | 74.9° | 89.9° |
| N6 | C15 | C14 | H23 | 152.1° | 96.3° |
| N6 | C15 | C14 | H22 | 85.0° | 140.4° |
| N6 | C15 | H25 | H24 | 122.2° | 121.0° |
| C15 | N6 | C16 | H27 | 131.6° | 94.5° |
| C15 | N6 | C16 | H26 | 105.9° | 143.1° |
| N6 | C16 | C13 | H27 | 118.7° | 118.9° |
| N6 | C16 | C13 | H26 | 118.7° | 118.8° |
| C16 | N6 | S | O1 | 177.5° | 153.7° |
| C16 | N6 | S | O2 | 49.2° | 25.9° |
| C16 | N6 | S | C17 | 66.5° | 90.3° |
| N6 | C16 | C13 | H1 | 81.7° | 155.2° |
| C16 | N6 | C15 | H25 | 106.0° | 120.7° |
| C16 | N6 | C15 | H24 | 132.5° | 118.2° |
| N6 | C16 | H27 | H26 | 123.6° | 122.3° |
| C13 | C16 | N6 | S | 130.9° | 155.9° |
| C16 | C13 | C14 | H23 | 161.0° | 82.9° |
| C16 | C13 | C14 | H22 | 76.2° | 153.9° |
| C13 | C16 | H27 | H26 | 123.6° | 122.3° |
| C16 | C13 | N5 | H21 | 147.1° | 18.5° |
| N6 | S | O1 | O2 | 121.1° | 116.7° |
| N6 | S | O1 | C17 | 115.4° | 111.8° |
| N6 | S | O2 | C17 | 115.6° | 111.8° |
| S | N6 | C15 | H25 | 39.5° | 59.5° |
| S | N6 | C15 | H24 | 82.0° | 61.7° |
| S | N6 | C16 | H27 | 12.2° | 85.3° |
| S | N6 | C16 | H26 | 110.3° | 37.0° |
| N6 | S | C17 | H28 | 180.0° | 60.1° |
| N6 | S | C17 | H30 | 60.0° | 180.0° |
| N6 | S | C17 | H29 | 60.0° | 59.9° |
| O1 | S | O2 | C17 | 123.8° | 131.5° |
| O1 | S | C17 | H28 | 65.4° | 171.7° |
| O1 | S | C17 | H30 | 174.6° | 68.4° |
| O1 | S | C17 | H29 | 54.6° | 51.7° |
| O2 | S | C17 | H28 | 64.5° | 51.6° |
| O2 | S | C17 | H30 | 55.5° | 68.3° |
| O2 | S | C17 | H29 | 175.5° | 171.6° |
| S | C17 | H28 | H30 | 120.0° | 120.0° |
| S | C17 | H28 | H29 | 120.0° | 120.0° |
| S | C17 | H30 | H29 | 120.0° | 120.1° |
| H5 | C1 | C2 | H8 | 64.0° | 174.5° |
| H5 | C1 | C2 | H7 | 176.0° | 54.5° |
| H5 | C1 | C2 | H6 | 56.0° | 65.5° |
| H5 | C1 | C3 | H | 65.4° | 176.7° |
| H5 | C1 | C | H4 | 64.0° | 179.9° |
| H5 | C1 | C | H2 | 56.0° | 60.1° |
| H5 | C1 | C | H3 | 176.0° | 59.9° |
| H8 | C2 | H7 | H6 | 120.0° | 119.9° |
| H | C3 | N | H12 | 75.6° | 145.0° |
| H | C3 | C4 | H9 | 68.7° | 55.6° |
| H | C3 | C4 | H10 | 171.2° | 64.4° |
| H14 | C10 | C11 | H15 | 61.3° | 60.0° |
| H14 | C10 | C11 | H17 | 178.7° | 60.0° |
| H14 | C10 | C11 | H16 | 58.7° | 180.0° |
| H14 | C10 | C12 | H18 | 62.4° | 60.0° |
| H14 | C10 | C12 | H19 | 57.6° | 60.0° |
| H14 | C10 | C12 | H20 | 177.6° | 180.0° |
| H15 | C11 | H17 | H16 | 120.0° | 120.0° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H1 | C13 | C14 | H23 | 45.1° | 35.2° |
| H1 | C13 | C14 | H22 | 168.0° | 88.0° |
| H1 | C13 | C16 | H27 | 37.0° | 36.3° |
| H1 | C13 | C16 | H26 | 159.5° | 86.0° |
| H1 | C13 | N5 | H21 | 93.5° | 142.5° |
| H23 | C14 | C15 | H25 | 32.9° | 144.3° |
| H23 | C14 | C15 | H24 | 88.6° | 23.0° |
| H22 | C14 | C15 | H25 | 155.8° | 21.0° |
| H22 | C14 | C15 | H24 | 34.2° | 100.2° |
| H28 | C17 | H30 | H29 | 120.0° | 119.9° |
| H9 | C4 | O | H11 | 60.1° | 60.0° |
| H10 | C4 | O | H11 | 60.0° | 60.0° |
| H4 | C | H2 | H3 | 119.9° | 120.0° |
