A1IOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O | C3 | sing | 1.43Å | 1.43Å | |
| C2 | N | sing | 1.46Å | 1.46Å | |
| N | C5 | sing | 1.39Å | 1.35Å | |
| C5 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| N2 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C9 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N4 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.46Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C6 | N5 | sing | 1.38Å | 1.35Å | |
| N5 | C12 | sing | 1.46Å | 1.46Å | |
| C12 | C13 | sing | 1.55Å | 1.53Å | |
| C13 | C14 | sing | 1.54Å | 1.52Å | |
| C14 | N6 | sing | 1.47Å | 1.48Å | |
| C15 | N6 | sing | 1.47Å | 1.48Å | |
| C12 | C15 | sing | 1.55Å | 1.52Å | |
| N6 | S | sing | 1.66Å | 1.62Å | |
| O1 | S | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.43Å | |
| N7 | S | sing | 1.66Å | 1.62Å | |
| C16 | N7 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.48Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H | sing | 1.09Å | 1.10Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| N5 | H19 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 113.4° | 109.5° |
| C | C1 | H6 | 108.5° | 109.5° |
| C | C1 | H7 | 108.5° | 109.5° |
| C1 | C | H3 | 109.5° | 109.5° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 112.0° | 109.5° |
| C1 | C2 | N | 109.6° | 109.5° |
| C2 | C1 | H6 | 108.5° | 109.4° |
| C2 | C1 | H7 | 108.5° | 109.5° |
| C1 | C2 | H | 106.8° | 109.5° |
| C2 | C3 | C4 | 114.4° | 109.5° |
| C2 | C3 | O | 109.3° | 109.5° |
| C3 | C2 | N | 113.9° | 109.4° |
| C3 | C2 | H | 106.6° | 109.4° |
| C2 | C3 | H1 | 107.2° | 109.5° |
| C4 | C3 | O | 109.8° | 109.5° |
| C4 | C3 | H1 | 107.4° | 109.5° |
| C3 | C4 | H8 | 109.5° | 109.4° |
| C3 | C4 | H10 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.4° | 109.4° |
| O | C3 | H1 | 108.6° | 109.4° |
| C3 | O | H11 | 109.5° | 113.9° |
| C2 | N | C5 | 126.2° | 120.0° |
| N | C2 | H | 107.5° | 109.5° |
| C2 | N | H12 | 105.1° | 120.0° |
| N | C5 | N1 | 115.9° | 118.9° |
| N | C5 | N2 | 117.5° | 118.9° |
| C5 | N | H12 | 105.1° | 120.0° |
| C5 | N1 | C6 | 119.5° | 121.1° |
| N1 | C5 | N2 | 126.6° | 122.3° |
| N1 | C6 | C7 | 118.3° | 118.6° |
| N1 | C6 | N5 | 118.5° | 120.7° |
| C6 | C7 | C8 | 116.4° | 118.3° |
| C6 | C7 | N4 | 133.1° | 134.6° |
| C7 | C6 | N5 | 123.2° | 120.7° |
| C7 | C8 | N2 | 126.6° | 119.1° |
| C7 | C8 | N3 | 106.0° | 106.0° |
| C8 | C7 | N4 | 110.5° | 107.1° |
| C8 | N2 | C5 | 112.6° | 120.6° |
| N2 | C8 | N3 | 127.4° | 134.9° |
| C8 | N3 | C9 | 105.7° | 107.5° |
| C8 | N3 | C10 | 126.5° | 126.2° |
| N3 | C9 | N4 | 114.2° | 109.9° |
| C9 | N3 | C10 | 127.8° | 126.3° |
| N3 | C9 | H13 | 122.9° | 125.0° |
| C9 | N4 | C7 | 103.6° | 109.5° |
| N4 | C9 | H13 | 122.9° | 125.0° |
| N3 | C10 | C11 | 112.1° | 109.5° |
| N3 | C10 | H14 | 108.8° | 109.5° |
| N3 | C10 | H15 | 108.8° | 109.5° |
| C11 | C10 | H14 | 108.8° | 109.5° |
| C11 | C10 | H15 | 108.8° | 109.4° |
| C10 | C11 | H16 | 109.5° | 109.5° |
| C10 | C11 | H17 | 109.5° | 109.4° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C6 | N5 | C12 | 124.4° | 120.0° |
| C6 | N5 | H19 | 105.6° | 120.0° |
| N5 | C12 | C13 | 113.6° | 111.0° |
| N5 | C12 | C15 | 113.5° | 111.0° |
| N5 | C12 | H2 | 109.8° | 110.9° |
| C12 | N5 | H19 | 105.6° | 120.0° |
| C12 | C13 | C14 | 102.2° | 103.0° |
| C13 | C12 | C15 | 101.7° | 101.5° |
| C13 | C12 | H2 | 108.8° | 111.0° |
| C12 | C13 | H20 | 111.3° | 110.8° |
| C12 | C13 | H21 | 111.2° | 110.7° |
| C13 | C14 | N6 | 103.5° | 107.3° |
| C14 | C13 | H20 | 111.2° | 110.6° |
| C14 | C13 | H21 | 111.3° | 110.7° |
| C13 | C14 | H22 | 110.9° | 109.9° |
| C13 | C14 | H23 | 110.9° | 109.9° |
| C14 | N6 | C15 | 110.6° | 108.7° |
| C14 | N6 | S | 122.7° | 125.7° |
| N6 | C14 | H22 | 111.0° | 109.9° |
| N6 | C14 | H23 | 110.9° | 109.9° |
| N6 | C15 | C12 | 101.9° | 104.9° |
| C15 | N6 | S | 122.4° | 125.7° |
| N6 | C15 | H24 | 111.3° | 110.5° |
| N6 | C15 | H25 | 111.3° | 110.3° |
| C15 | C12 | H2 | 109.0° | 111.1° |
| C12 | C15 | H24 | 111.4° | 110.4° |
| C12 | C15 | H25 | 111.3° | 110.3° |
| N6 | S | O1 | 106.4° | 106.4° |
| N6 | S | O2 | 109.9° | 106.4° |
| N6 | S | N7 | 105.5° | 107.2° |
| O1 | S | O2 | 120.0° | 123.2° |
| O1 | S | N7 | 104.9° | 106.4° |
| O2 | S | N7 | 109.0° | 106.4° |
| S | N7 | C16 | 119.6° | 120.0° |
| S | N7 | H26 | 106.9° | 120.0° |
| N7 | C16 | C17 | 110.5° | 109.5° |
| N7 | C16 | H28 | 109.2° | 109.5° |
| N7 | C16 | H27 | 109.2° | 109.5° |
| C16 | N7 | H26 | 106.9° | 120.0° |
| C17 | C16 | H28 | 109.2° | 109.5° |
| C17 | C16 | H27 | 109.2° | 109.4° |
| C16 | C17 | H30 | 109.5° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.5° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H16 | C11 | H18 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 110.8° |
| H22 | C14 | H23 | 109.5° | 109.9° |
| H24 | C15 | H25 | 109.5° | 110.4° |
| H28 | C16 | H27 | 109.5° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.4° |
| H30 | C17 | H29 | 109.5° | 109.5° |
| H31 | C17 | H29 | 109.4° | 109.4° |
| H8 | C4 | H10 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C4 | H9 | 109.4° | 109.5° |
| H3 | C | H4 | 109.4° | 109.5° |
| H3 | C | H5 | 109.5° | 109.5° |
| H4 | C | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H6 | 120.6° | 120.0° |
| C | C1 | C2 | H7 | 120.6° | 120.0° |
| C | C1 | C2 | C3 | 175.1° | 175.0° |
| C | C1 | C2 | N | 47.8° | 65.0° |
| C | C1 | H6 | H7 | 118.2° | 120.0° |
| C | C1 | C2 | H | 68.4° | 55.1° |
| C1 | C | H3 | H4 | 120.0° | 120.0° |
| C1 | C | H3 | H5 | 120.0° | 120.0° |
| C1 | C | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | N | 125.1° | 120.0° |
| C1 | C2 | C3 | H | 116.6° | 120.0° |
| C1 | C2 | C3 | C4 | 89.5° | 65.0° |
| C1 | C2 | C3 | O | 146.9° | 55.0° |
| C1 | C2 | N | H | 115.8° | 120.1° |
| C1 | C2 | N | C5 | 162.1° | 85.0° |
| C2 | C1 | H6 | H7 | 118.2° | 120.0° |
| C1 | C2 | C3 | H1 | 29.4° | 175.0° |
| C1 | C2 | N | H12 | 75.7° | 94.9° |
| C2 | C1 | C | H3 | 180.0° | 180.0° |
| C2 | C1 | C | H4 | 60.0° | 60.0° |
| C2 | C1 | C | H5 | 60.0° | 60.0° |
| C2 | C3 | C4 | O | 123.3° | 120.0° |
| C2 | C3 | C4 | H1 | 118.8° | 120.0° |
| C2 | C3 | O | H1 | 116.6° | 120.0° |
| C3 | C2 | N | H | 117.9° | 120.0° |
| C3 | C2 | N | C5 | 71.6° | 155.0° |
| C3 | C2 | C1 | H6 | 64.3° | 65.0° |
| C3 | C2 | C1 | H7 | 54.6° | 55.0° |
| C3 | C2 | N | H12 | 50.6° | 25.0° |
| C2 | C3 | O | H11 | 180.0° | 60.0° |
| C2 | C3 | C4 | H8 | 180.0° | 60.0° |
| C2 | C3 | C4 | H10 | 60.0° | 180.0° |
| C2 | C3 | C4 | H9 | 60.0° | 60.0° |
| C4 | C3 | O | H1 | 117.2° | 120.0° |
| C4 | C3 | C2 | N | 35.6° | 175.0° |
| C4 | C3 | C2 | H | 153.9° | 55.0° |
| C4 | C3 | O | H11 | 53.8° | 60.0° |
| C3 | C4 | H8 | H10 | 120.0° | 120.0° |
| C3 | C4 | H8 | H9 | 120.0° | 120.0° |
| C3 | C4 | H10 | H9 | 119.9° | 120.0° |
| O | C3 | C2 | N | 88.0° | 65.0° |
| O | C3 | C2 | H | 30.4° | 175.0° |
| O | C3 | C4 | H8 | 56.7° | 60.0° |
| O | C3 | C4 | H10 | 176.7° | 60.0° |
| O | C3 | C4 | H9 | 63.3° | 180.0° |
| C2 | N | C5 | H12 | 122.2° | 179.9° |
| C2 | N | C5 | N1 | 173.6° | 0.1° |
| C2 | N | C5 | N2 | 6.5° | 180.0° |
| N | C2 | C1 | H6 | 168.3° | 55.0° |
| N | C2 | C1 | H7 | 72.8° | 175.0° |
| N | C2 | C3 | H1 | 154.5° | 55.0° |
| N | C5 | N1 | N2 | 179.9° | 179.9° |
| N | C5 | N1 | C6 | 179.9° | 180.0° |
| N | C5 | N2 | C8 | 179.9° | 180.0° |
| C5 | N | C2 | H | 46.3° | 35.0° |
| C5 | N1 | C6 | C7 | 0.0° | 0.0° |
| N1 | C5 | N2 | C8 | 0.0° | 0.1° |
| C5 | N1 | C6 | N5 | 180.0° | 180.0° |
| N1 | C5 | N | H12 | 64.2° | 180.0° |
| N1 | C6 | C7 | N5 | 179.9° | 180.0° |
| N1 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | N1 | C5 | N2 | 0.0° | 0.1° |
| N1 | C6 | C7 | N4 | 179.9° | 179.7° |
| N1 | C6 | N5 | C12 | 12.3° | 0.0° |
| N1 | C6 | N5 | H19 | 134.4° | 180.0° |
| C6 | C7 | C8 | N4 | 179.9° | 179.8° |
| C6 | C7 | C8 | N2 | 0.1° | 0.0° |
| C6 | C7 | C8 | N3 | 179.9° | 180.0° |
| C6 | C7 | N4 | C9 | 179.9° | 180.0° |
| C7 | C6 | N5 | C12 | 167.6° | 180.0° |
| C7 | C6 | N5 | H19 | 45.5° | 0.0° |
| C7 | C8 | N2 | N3 | 180.0° | 180.0° |
| C7 | C8 | N2 | C5 | 0.0° | 0.0° |
| C7 | C8 | N3 | C9 | 0.0° | 0.1° |
| C8 | C7 | N4 | C9 | 0.0° | 0.3° |
| C7 | C8 | N3 | C10 | 179.9° | 180.0° |
| C8 | C7 | C6 | N5 | 180.0° | 180.0° |
| N2 | C8 | N3 | C9 | 180.0° | 179.9° |
| N2 | C8 | C7 | N4 | 180.0° | 179.8° |
| N2 | C8 | N3 | C10 | 0.1° | 0.0° |
| C5 | N2 | C8 | N3 | 180.0° | 179.9° |
| N2 | C5 | N | H12 | 115.7° | 0.1° |
| C8 | N3 | C9 | C10 | 179.9° | 179.9° |
| C8 | N3 | C9 | N4 | 0.0° | 0.1° |
| N3 | C8 | C7 | N4 | 0.0° | 0.2° |
| C8 | N3 | C10 | C11 | 64.6° | 85.0° |
| C8 | N3 | C9 | H13 | 180.0° | 179.9° |
| C8 | N3 | C10 | H14 | 55.8° | 35.0° |
| C8 | N3 | C10 | H15 | 175.1° | 155.0° |
| N3 | C9 | N4 | H13 | 180.0° | 179.8° |
| N3 | C9 | N4 | C7 | 0.0° | 0.2° |
| C9 | N3 | C10 | C11 | 115.4° | 94.9° |
| C9 | N3 | C10 | H14 | 124.2° | 145.1° |
| C9 | N3 | C10 | H15 | 5.0° | 25.1° |
| N4 | C9 | N3 | C10 | 179.9° | 179.8° |
| N4 | C7 | C6 | N5 | 0.2° | 0.3° |
| C7 | N4 | C9 | H13 | 180.0° | 180.0° |
| N3 | C10 | C11 | H14 | 120.4° | 120.0° |
| N3 | C10 | C11 | H15 | 120.4° | 120.0° |
| C10 | N3 | C9 | H13 | 0.1° | 0.0° |
| N3 | C10 | H14 | H15 | 118.8° | 120.0° |
| N3 | C10 | C11 | H16 | 180.0° | 180.0° |
| N3 | C10 | C11 | H17 | 60.0° | 60.0° |
| N3 | C10 | C11 | H18 | 60.0° | 60.0° |
| C11 | C10 | H14 | H15 | 118.8° | 120.0° |
| C10 | C11 | H16 | H17 | 120.0° | 119.9° |
| C10 | C11 | H16 | H18 | 120.0° | 120.0° |
| C10 | C11 | H17 | H18 | 120.0° | 120.0° |
| C6 | N5 | C12 | H19 | 122.0° | 180.0° |
| C6 | N5 | C12 | C13 | 145.6° | 86.5° |
| C6 | N5 | C12 | C15 | 98.8° | 161.4° |
| C6 | N5 | C12 | H2 | 23.4° | 37.4° |
| N5 | C12 | C13 | C15 | 122.4° | 118.1° |
| N5 | C12 | C13 | H2 | 122.7° | 123.8° |
| N5 | C12 | C13 | C14 | 166.7° | 82.6° |
| N5 | C12 | C15 | N6 | 162.5° | 80.9° |
| N5 | C12 | C15 | H2 | 122.7° | 123.9° |
| N5 | C12 | C13 | H20 | 74.5° | 159.1° |
| N5 | C12 | C13 | H21 | 47.8° | 35.8° |
| N5 | C12 | C15 | H24 | 78.7° | 160.1° |
| N5 | C12 | C15 | H25 | 43.8° | 37.9° |
| C12 | C13 | C14 | H20 | 118.8° | 118.4° |
| C12 | C13 | C14 | H21 | 118.8° | 118.4° |
| C12 | C13 | C14 | N6 | 30.8° | 22.0° |
| C13 | C12 | C15 | N6 | 40.0° | 37.1° |
| C13 | C12 | C15 | H2 | 114.8° | 118.0° |
| C12 | C13 | H20 | H21 | 123.4° | 123.3° |
| C12 | C13 | C14 | H22 | 88.3° | 97.4° |
| C12 | C13 | C14 | H23 | 149.8° | 141.5° |
| C13 | C12 | C15 | H24 | 158.8° | 81.8° |
| C13 | C12 | C15 | H25 | 78.7° | 155.9° |
| C13 | C12 | N5 | H19 | 23.6° | 93.6° |
| C13 | C14 | N6 | H22 | 119.0° | 119.4° |
| C13 | C14 | N6 | H23 | 119.0° | 119.5° |
| C13 | C14 | N6 | C15 | 5.9° | 1.3° |
| C14 | C13 | C12 | C15 | 44.3° | 35.5° |
| C13 | C14 | N6 | S | 163.1° | 179.0° |
| C14 | C13 | C12 | H2 | 70.7° | 153.6° |
| C14 | C13 | H20 | H21 | 123.4° | 123.2° |
| C13 | C14 | H22 | H23 | 122.7° | 121.1° |
| C14 | N6 | C15 | S | 157.4° | 179.7° |
| C14 | N6 | C15 | C12 | 21.6° | 24.4° |
| C14 | N6 | S | O1 | 8.1° | 23.5° |
| C14 | N6 | S | O2 | 139.5° | 156.4° |
| C14 | N6 | S | N7 | 103.1° | 90.0° |
| N6 | C14 | C13 | H20 | 149.6° | 96.4° |
| N6 | C14 | C13 | H21 | 88.0° | 140.4° |
| N6 | C14 | H22 | H23 | 122.8° | 121.1° |
| C14 | N6 | C15 | H24 | 140.3° | 94.5° |
| C14 | N6 | C15 | H25 | 97.2° | 143.2° |
| N6 | C15 | C12 | H24 | 118.8° | 119.0° |
| N6 | C15 | C12 | H25 | 118.7° | 118.8° |
| C15 | N6 | S | O1 | 162.7° | 156.2° |
| C15 | N6 | S | O2 | 65.9° | 23.3° |
| C15 | N6 | S | N7 | 51.6° | 90.3° |
| N6 | C15 | C12 | H2 | 74.8° | 155.2° |
| C15 | N6 | C14 | H22 | 113.2° | 120.7° |
| C15 | N6 | C14 | H23 | 124.9° | 118.2° |
| N6 | C15 | H24 | H25 | 123.5° | 122.3° |
| C12 | C15 | N6 | S | 135.8° | 155.9° |
| C15 | C12 | C13 | H20 | 163.1° | 82.8° |
| C15 | C12 | C13 | H21 | 74.6° | 153.9° |
| C12 | C15 | H24 | H25 | 123.5° | 122.2° |
| C15 | C12 | N5 | H19 | 139.2° | 18.5° |
| N6 | S | O1 | O2 | 125.5° | 123.0° |
| N6 | S | O1 | N7 | 111.6° | 114.1° |
| N6 | S | O2 | N7 | 115.2° | 114.1° |
| N6 | S | N7 | C16 | 79.5° | 65.0° |
| S | N6 | C14 | H22 | 44.1° | 59.6° |
| S | N6 | C14 | H23 | 77.8° | 61.5° |
| S | N6 | C15 | H24 | 17.0° | 85.2° |
| S | N6 | C15 | H25 | 105.4° | 37.1° |
| N6 | S | N7 | H26 | 159.1° | 115.0° |
| O1 | S | O2 | N7 | 120.9° | 123.0° |
| O1 | S | N7 | C16 | 32.7° | 178.5° |
| O1 | S | N7 | H26 | 88.7° | 1.5° |
| O2 | S | N7 | C16 | 162.4° | 48.5° |
| O2 | S | N7 | H26 | 41.0° | 131.4° |
| S | N7 | C16 | H26 | 121.4° | 180.0° |
| S | N7 | C16 | C17 | 170.0° | 165.0° |
| S | N7 | C16 | H28 | 49.9° | 75.0° |
| S | N7 | C16 | H27 | 69.8° | 45.0° |
| N7 | C16 | C17 | H28 | 120.2° | 120.0° |
| N7 | C16 | C17 | H27 | 120.2° | 120.0° |
| N7 | C16 | H28 | H27 | 119.5° | 120.1° |
| N7 | C16 | C17 | H30 | 180.0° | 60.0° |
| N7 | C16 | C17 | H31 | 60.0° | 60.0° |
| N7 | C16 | C17 | H29 | 60.0° | 180.0° |
| C17 | C16 | H28 | H27 | 119.5° | 120.0° |
| C17 | C16 | N7 | H26 | 68.6° | 15.0° |
| C16 | C17 | H30 | H31 | 120.0° | 120.0° |
| C16 | C17 | H30 | H29 | 120.0° | 120.0° |
| C16 | C17 | H31 | H29 | 120.0° | 120.0° |
| H6 | C1 | C2 | H | 52.2° | 175.1° |
| H6 | C1 | C | H3 | 59.4° | 60.0° |
| H6 | C1 | C | H4 | 60.6° | 180.0° |
| H6 | C1 | C | H5 | 179.4° | 60.0° |
| H7 | C1 | C2 | H | 171.0° | 64.9° |
| H7 | C1 | C | H3 | 59.4° | 60.0° |
| H7 | C1 | C | H4 | 179.4° | 60.0° |
| H7 | C1 | C | H5 | 60.6° | 179.9° |
| H | C2 | C3 | H1 | 87.1° | 65.0° |
| H | C2 | N | H12 | 168.5° | 145.0° |
| H1 | C3 | O | H11 | 63.4° | 180.0° |
| H1 | C3 | C4 | H8 | 61.2° | 180.0° |
| H1 | C3 | C4 | H10 | 58.9° | 60.0° |
| H1 | C3 | C4 | H9 | 178.8° | 60.0° |
| H14 | C10 | C11 | H16 | 59.6° | 60.0° |
| H14 | C10 | C11 | H17 | 179.6° | 60.0° |
| H14 | C10 | C11 | H18 | 60.4° | 180.0° |
| H15 | C10 | C11 | H16 | 59.6° | 60.0° |
| H15 | C10 | C11 | H17 | 60.4° | 180.0° |
| H15 | C10 | C11 | H18 | 179.6° | 60.0° |
| H16 | C11 | H17 | H18 | 120.0° | 120.1° |
| H2 | C12 | C13 | H20 | 48.1° | 35.3° |
| H2 | C12 | C13 | H21 | 170.5° | 88.0° |
| H2 | C12 | C15 | H24 | 44.0° | 36.2° |
| H2 | C12 | C15 | H25 | 166.5° | 86.1° |
| H2 | C12 | N5 | H19 | 98.6° | 142.5° |
| H20 | C13 | C14 | H22 | 30.5° | 144.3° |
| H20 | C13 | C14 | H23 | 91.4° | 23.1° |
| H21 | C13 | C14 | H22 | 152.9° | 21.0° |
| H21 | C13 | C14 | H23 | 31.0° | 100.1° |
| H28 | C16 | N7 | H26 | 171.3° | 105.0° |
| H28 | C16 | C17 | H30 | 59.8° | 180.0° |
| H28 | C16 | C17 | H31 | 179.9° | 60.0° |
| H28 | C16 | C17 | H29 | 60.2° | 60.0° |
| H27 | C16 | N7 | H26 | 51.6° | 134.9° |
| H27 | C16 | C17 | H30 | 59.8° | 60.0° |
| H27 | C16 | C17 | H31 | 60.2° | 180.0° |
| H27 | C16 | C17 | H29 | 179.8° | 60.0° |
| H30 | C17 | H31 | H29 | 120.0° | 119.9° |
| H8 | C4 | H10 | H9 | 120.0° | 120.0° |
| H3 | C | H4 | H5 | 120.0° | 120.1° |
