A1D7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C22 | S1 | sing | 1.81Å | 1.76Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C7 | sing | 1.53Å | 1.51Å | |
| O5 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O4 | doub | 1.42Å | 1.43Å | |
| S1 | N5 | sing | 1.66Å | 1.62Å | |
| C17 | C7 | sing | 1.55Å | 1.52Å | |
| C17 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C8 | N1 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C6 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| O3 | C5 | doub | 1.21Å | 1.22Å | |
| N5 | C4 | sing | 1.46Å | 1.47Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C9 | N2 | sing | 1.35Å | 1.34Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| N2 | C10 | sing | 1.46Å | 1.45Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | N3 | doub | 1.28Å | 1.29Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C2 | C21 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| O1 | C16 | doub | 1.21Å | 1.24Å | |
| C13 | C16 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C16 | N4 | sing | 1.35Å | 1.33Å | |
| C14 | C15 | sing | 1.55Å | 1.52Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 0.97Å | 1.00Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C18 | C19 | 112.7° | 115.5° |
| C20 | C18 | C17 | 120.4° | 117.5° |
| C20 | C18 | C7 | 119.6° | 117.4° |
| C18 | C20 | H12 | 109.5° | 109.4° |
| C18 | C20 | H13 | 109.5° | 109.5° |
| C18 | C20 | H14 | 109.5° | 109.5° |
| C19 | C18 | C17 | 117.3° | 117.5° |
| C19 | C18 | C7 | 117.2° | 117.4° |
| C18 | C19 | H29 | 109.5° | 109.5° |
| C18 | C19 | H30 | 109.4° | 109.4° |
| C18 | C19 | H31 | 109.5° | 109.5° |
| C22 | S1 | O5 | 108.1° | 110.5° |
| C22 | S1 | O4 | 108.0° | 110.5° |
| C22 | S1 | N5 | 108.1° | 104.5° |
| S1 | C22 | H18 | 109.5° | 109.5° |
| S1 | C22 | H19 | 109.5° | 109.5° |
| S1 | C22 | H20 | 109.5° | 109.5° |
| C17 | C18 | C7 | 60.3° | 60.7° |
| C18 | C17 | C7 | 59.7° | 59.7° |
| C18 | C17 | C8 | 120.7° | 118.1° |
| C18 | C17 | H11 | 117.9° | 120.2° |
| C18 | C7 | C17 | 60.0° | 59.5° |
| C18 | C7 | C6 | 120.5° | 118.1° |
| C18 | C7 | H5 | 118.0° | 120.4° |
| O5 | S1 | O4 | 118.6° | 121.0° |
| O5 | S1 | N5 | 106.6° | 104.3° |
| O4 | S1 | N5 | 107.1° | 104.2° |
| S1 | N5 | C4 | 120.8° | 120.0° |
| S1 | N5 | H37 | 106.6° | 120.0° |
| C7 | C17 | C8 | 108.0° | 104.9° |
| C17 | C7 | C6 | 108.2° | 104.8° |
| C17 | C7 | H5 | 117.8° | 121.8° |
| C7 | C17 | H11 | 117.8° | 121.8° |
| C17 | C8 | N1 | 104.4° | 104.6° |
| C17 | C8 | C9 | 109.9° | 110.4° |
| C17 | C8 | H6 | 110.2° | 110.5° |
| C8 | C17 | H11 | 117.8° | 117.7° |
| C7 | C6 | N1 | 104.2° | 104.6° |
| C7 | C6 | H3 | 110.8° | 110.4° |
| C7 | C6 | H4 | 110.8° | 110.5° |
| C6 | C7 | H5 | 117.8° | 117.7° |
| N1 | C8 | C9 | 110.9° | 110.4° |
| C8 | N1 | C6 | 114.0° | 104.4° |
| C8 | N1 | C5 | 118.7° | 127.8° |
| N1 | C8 | H6 | 111.0° | 110.4° |
| C8 | C9 | N2 | 115.8° | 120.0° |
| C8 | C9 | O2 | 121.1° | 120.0° |
| C9 | C8 | H6 | 110.1° | 110.4° |
| C6 | N1 | C5 | 127.3° | 127.8° |
| N1 | C6 | H3 | 110.8° | 110.4° |
| N1 | C6 | H4 | 110.8° | 110.4° |
| N1 | C5 | O3 | 120.4° | 120.0° |
| N1 | C5 | C4 | 118.3° | 120.0° |
| O3 | C5 | C4 | 121.4° | 120.0° |
| N5 | C4 | C5 | 111.9° | 109.5° |
| N5 | C4 | C2 | 108.6° | 109.5° |
| N5 | C4 | H2 | 108.4° | 109.5° |
| C4 | N5 | H37 | 106.6° | 120.0° |
| C5 | C4 | C2 | 112.6° | 109.5° |
| C5 | C4 | H2 | 107.7° | 109.5° |
| C4 | C2 | C21 | 109.6° | 109.4° |
| C4 | C2 | C3 | 110.7° | 109.5° |
| C4 | C2 | C1 | 111.0° | 109.5° |
| C2 | C4 | H2 | 107.5° | 109.4° |
| N2 | C9 | O2 | 123.1° | 120.0° |
| C9 | N2 | C10 | 121.5° | 120.0° |
| C9 | N2 | H35 | 119.2° | 120.1° |
| N2 | C10 | C11 | 110.7° | 109.5° |
| N2 | C10 | C12 | 110.9° | 109.5° |
| N2 | C10 | H7 | 108.8° | 109.5° |
| C10 | N2 | H35 | 119.3° | 119.9° |
| C10 | C11 | N3 | 120.8° | 120.0° |
| C11 | C10 | C12 | 110.8° | 109.5° |
| C11 | C10 | H7 | 107.9° | 109.4° |
| C10 | C11 | H24 | 119.6° | 120.0° |
| C11 | N3 | H1 | 112.0° | 120.0° |
| N3 | C11 | H24 | 119.6° | 120.0° |
| C10 | C12 | C13 | 113.0° | 109.5° |
| C12 | C10 | H7 | 107.7° | 109.4° |
| C10 | C12 | H25 | 108.6° | 109.5° |
| C10 | C12 | H26 | 108.6° | 109.5° |
| C21 | C2 | C3 | 108.3° | 109.5° |
| C21 | C2 | C1 | 108.6° | 109.5° |
| C2 | C21 | H15 | 109.5° | 109.4° |
| C2 | C21 | H16 | 109.5° | 109.5° |
| C2 | C21 | H17 | 109.5° | 109.5° |
| C3 | C2 | C1 | 108.7° | 109.5° |
| C2 | C3 | H32 | 109.5° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| C2 | C3 | H34 | 109.5° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C2 | C1 | H23 | 109.4° | 109.5° |
| C12 | C13 | C16 | 113.7° | 110.5° |
| C12 | C13 | C14 | 116.4° | 110.5° |
| C12 | C13 | H8 | 107.9° | 110.5° |
| C13 | C12 | H25 | 108.6° | 109.5° |
| C13 | C12 | H26 | 108.6° | 109.4° |
| O1 | C16 | C13 | 125.6° | 124.9° |
| O1 | C16 | N4 | 125.9° | 125.0° |
| C16 | C13 | C14 | 102.4° | 104.2° |
| C13 | C16 | N4 | 108.5° | 110.1° |
| C16 | C13 | H8 | 108.0° | 110.5° |
| C13 | C14 | C15 | 103.3° | 101.7° |
| C14 | C13 | H8 | 108.0° | 110.5° |
| C13 | C14 | H27 | 111.0° | 111.0° |
| C13 | C14 | H28 | 111.0° | 111.0° |
| C16 | N4 | C15 | 113.0° | 111.2° |
| C16 | N4 | H36 | 123.5° | 124.3° |
| C14 | C15 | N4 | 102.0° | 105.5° |
| C14 | C15 | H9 | 111.3° | 110.2° |
| C14 | C15 | H10 | 111.3° | 110.2° |
| C15 | C14 | H27 | 111.0° | 111.0° |
| C15 | C14 | H28 | 111.0° | 111.0° |
| N4 | C15 | H9 | 111.3° | 110.3° |
| N4 | C15 | H10 | 111.3° | 110.3° |
| C15 | N4 | H36 | 123.5° | 124.4° |
| H3 | C6 | H4 | 109.5° | 110.4° |
| H9 | C15 | H10 | 109.5° | 110.2° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H15 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H20 | 109.4° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H21 | C1 | H22 | 109.5° | 109.4° |
| H21 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.4° |
| H27 | C14 | H28 | 109.5° | 110.8° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| H29 | C19 | H31 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H34 | 109.5° | 109.5° |
| H33 | C3 | H34 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C18 | C19 | C17 | 146.4° | 145.4° |
| C20 | C18 | C19 | C7 | 144.8° | 145.2° |
| C20 | C18 | C17 | C7 | 108.9° | 107.7° |
| C20 | C18 | C17 | C8 | 15.0° | 16.2° |
| C20 | C18 | C7 | C6 | 15.7° | 16.5° |
| C20 | C18 | C7 | H5 | 142.1° | 140.9° |
| C20 | C18 | C17 | H11 | 143.5° | 140.9° |
| C18 | C20 | H12 | H13 | 120.0° | 120.0° |
| C18 | C20 | H12 | H14 | 120.0° | 120.0° |
| C18 | C20 | H13 | H14 | 120.0° | 120.0° |
| C20 | C18 | C19 | H29 | 180.0° | 85.4° |
| C20 | C18 | C19 | H30 | 60.0° | 34.6° |
| C20 | C18 | C19 | H31 | 60.0° | 154.6° |
| C19 | C18 | C17 | C7 | 107.4° | 107.6° |
| C19 | C18 | C17 | C8 | 158.7° | 160.9° |
| C19 | C18 | C7 | C6 | 158.0° | 160.9° |
| C19 | C18 | C7 | H5 | 0.2° | 3.6° |
| C19 | C18 | C17 | H11 | 0.2° | 3.8° |
| C19 | C18 | C20 | H12 | 180.0° | 154.6° |
| C19 | C18 | C20 | H13 | 60.0° | 34.6° |
| C19 | C18 | C20 | H14 | 60.0° | 85.4° |
| C18 | C19 | H29 | H30 | 120.0° | 120.0° |
| C18 | C19 | H29 | H31 | 120.0° | 120.0° |
| C18 | C19 | H30 | H31 | 120.0° | 120.0° |
| C22 | S1 | O5 | O4 | 123.2° | 131.5° |
| C22 | S1 | O5 | N5 | 116.0° | 111.8° |
| C22 | S1 | O4 | N5 | 116.1° | 111.7° |
| C22 | S1 | N5 | C4 | 79.8° | 64.3° |
| S1 | C22 | H18 | H19 | 120.0° | 120.0° |
| S1 | C22 | H18 | H20 | 120.0° | 120.0° |
| S1 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | S1 | N5 | H37 | 158.7° | 115.6° |
| C18 | C17 | C7 | C8 | 115.7° | 114.1° |
| C18 | C17 | C7 | H11 | 107.8° | 108.9° |
| C18 | C17 | C8 | H11 | 158.5° | 157.6° |
| C17 | C18 | C7 | C6 | 94.5° | 91.3° |
| C18 | C17 | C8 | N1 | 58.3° | 39.3° |
| C18 | C17 | C8 | C9 | 177.4° | 158.1° |
| C17 | C18 | C7 | H5 | 107.6° | 111.4° |
| C18 | C17 | C8 | H6 | 61.0° | 79.5° |
| C17 | C18 | C20 | H12 | 34.8° | 60.0° |
| C17 | C18 | C20 | H13 | 154.8° | 180.0° |
| C17 | C18 | C20 | H14 | 85.3° | 60.0° |
| C17 | C18 | C19 | H29 | 33.6° | 60.0° |
| C17 | C18 | C19 | H30 | 86.4° | 180.0° |
| C17 | C18 | C19 | H31 | 153.6° | 60.0° |
| C18 | C7 | C6 | H5 | 157.8° | 157.9° |
| C18 | C7 | C6 | N1 | 59.4° | 39.1° |
| C18 | C7 | C6 | H3 | 178.5° | 79.7° |
| C18 | C7 | C6 | H4 | 59.8° | 157.9° |
| C7 | C18 | C20 | H12 | 36.1° | 9.5° |
| C7 | C18 | C20 | H13 | 83.9° | 110.5° |
| C7 | C18 | C20 | H14 | 156.1° | 129.5° |
| C7 | C18 | C19 | H29 | 35.2° | 129.5° |
| C7 | C18 | C19 | H30 | 155.3° | 110.6° |
| C7 | C18 | C19 | H31 | 84.8° | 9.4° |
| O5 | S1 | O4 | N5 | 120.6° | 116.8° |
| O5 | S1 | N5 | C4 | 164.2° | 179.6° |
| O5 | S1 | C22 | H18 | 180.0° | 171.7° |
| O5 | S1 | C22 | H19 | 60.0° | 51.7° |
| O5 | S1 | C22 | H20 | 60.0° | 68.4° |
| O5 | S1 | N5 | H37 | 42.6° | 0.5° |
| O4 | S1 | N5 | C4 | 36.3° | 51.7° |
| O4 | S1 | C22 | H18 | 50.6° | 51.6° |
| O4 | S1 | C22 | H19 | 170.6° | 171.6° |
| O4 | S1 | C22 | H20 | 69.4° | 68.3° |
| O4 | S1 | N5 | H37 | 85.3° | 128.3° |
| S1 | N5 | C4 | H37 | 121.6° | 179.9° |
| S1 | N5 | C4 | C5 | 102.7° | 126.3° |
| S1 | N5 | C4 | C2 | 132.4° | 113.7° |
| S1 | N5 | C4 | H2 | 15.9° | 6.3° |
| N5 | S1 | C22 | H18 | 64.9° | 60.0° |
| N5 | S1 | C22 | H19 | 55.1° | 60.0° |
| N5 | S1 | C22 | H20 | 175.1° | 179.9° |
| C7 | C17 | C8 | H11 | 136.6° | 139.1° |
| C17 | C7 | C6 | H5 | 136.8° | 139.0° |
| C7 | C17 | C8 | N1 | 6.6° | 24.0° |
| C7 | C17 | C8 | C9 | 112.4° | 94.8° |
| C17 | C7 | C6 | N1 | 6.0° | 24.0° |
| C17 | C7 | C6 | H3 | 113.2° | 142.8° |
| C17 | C7 | C6 | H4 | 125.1° | 94.9° |
| C7 | C17 | C8 | H6 | 126.0° | 142.8° |
| C8 | C17 | C7 | C6 | 0.4° | 0.0° |
| C17 | C8 | N1 | C9 | 118.4° | 118.8° |
| C17 | C8 | N1 | H6 | 118.8° | 118.9° |
| C17 | C8 | C9 | H6 | 121.7° | 122.5° |
| C17 | C8 | N1 | C6 | 11.2° | 39.8° |
| C17 | C8 | N1 | C5 | 170.4° | 140.4° |
| C17 | C8 | C9 | N2 | 115.0° | 83.4° |
| C17 | C8 | C9 | O2 | 64.6° | 96.6° |
| C8 | C17 | C7 | H5 | 136.4° | 136.9° |
| C7 | C6 | N1 | C8 | 10.9° | 39.8° |
| C7 | C6 | N1 | H3 | 119.2° | 118.8° |
| C7 | C6 | N1 | H4 | 119.1° | 118.9° |
| C7 | C6 | N1 | C5 | 170.8° | 140.4° |
| C7 | C6 | H3 | H4 | 122.4° | 122.5° |
| C6 | C7 | C17 | H11 | 137.0° | 136.9° |
| N1 | C8 | C9 | H6 | 123.3° | 122.3° |
| C8 | N1 | C6 | C5 | 178.3° | 179.8° |
| C8 | N1 | C5 | O3 | 13.2° | 5.3° |
| C8 | N1 | C5 | C4 | 167.7° | 174.7° |
| N1 | C8 | C9 | N2 | 130.0° | 161.5° |
| N1 | C8 | C9 | O2 | 50.4° | 18.6° |
| C8 | N1 | C6 | H3 | 108.2° | 158.6° |
| C8 | N1 | C6 | H4 | 130.1° | 79.1° |
| N1 | C8 | C17 | H11 | 143.2° | 163.0° |
| C9 | C8 | N1 | C6 | 107.2° | 79.0° |
| C9 | C8 | N1 | C5 | 71.2° | 100.8° |
| C8 | C9 | N2 | O2 | 179.5° | 180.0° |
| C8 | C9 | N2 | C10 | 175.9° | 180.0° |
| C9 | C8 | C17 | H11 | 24.2° | 44.3° |
| C8 | C9 | N2 | H35 | 4.1° | 0.0° |
| C6 | N1 | C5 | O3 | 168.6° | 174.5° |
| C6 | N1 | C5 | C4 | 10.5° | 5.6° |
| N1 | C6 | H3 | H4 | 122.5° | 122.3° |
| N1 | C6 | C7 | H5 | 142.8° | 163.0° |
| C6 | N1 | C8 | H6 | 130.0° | 158.7° |
| N1 | C5 | O3 | C4 | 179.1° | 180.0° |
| N1 | C5 | C4 | N5 | 138.4° | 149.2° |
| N1 | C5 | C4 | C2 | 98.9° | 90.8° |
| N1 | C5 | C4 | H2 | 19.4° | 29.2° |
| C5 | N1 | C6 | H3 | 70.0° | 21.6° |
| C5 | N1 | C6 | H4 | 51.7° | 100.7° |
| C5 | N1 | C8 | H6 | 51.6° | 21.5° |
| O3 | C5 | C4 | N5 | 40.7° | 30.8° |
| O3 | C5 | C4 | C2 | 82.0° | 89.2° |
| O3 | C5 | C4 | H2 | 159.6° | 150.8° |
| N5 | C4 | C5 | C2 | 122.7° | 120.0° |
| N5 | C4 | C5 | H2 | 119.0° | 120.0° |
| N5 | C4 | C2 | H2 | 117.1° | 120.0° |
| N5 | C4 | C2 | C21 | 60.3° | 59.0° |
| N5 | C4 | C2 | C3 | 59.0° | 61.0° |
| N5 | C4 | C2 | C1 | 179.8° | 179.0° |
| C5 | C4 | C2 | H2 | 118.4° | 120.0° |
| C5 | C4 | C2 | C21 | 175.2° | 61.1° |
| C5 | C4 | C2 | C3 | 65.5° | 179.0° |
| C5 | C4 | C2 | C1 | 55.3° | 58.9° |
| C5 | C4 | N5 | H37 | 135.8° | 53.7° |
| C4 | C2 | C21 | C3 | 120.8° | 120.0° |
| C4 | C2 | C21 | C1 | 121.4° | 120.0° |
| C4 | C2 | C3 | C1 | 122.1° | 120.0° |
| C4 | C2 | C21 | H15 | 180.0° | 60.0° |
| C4 | C2 | C21 | H16 | 60.0° | 180.0° |
| C4 | C2 | C21 | H17 | 60.0° | 60.0° |
| C4 | C2 | C1 | H21 | 180.0° | 57.6° |
| C4 | C2 | C1 | H22 | 60.0° | 177.5° |
| C4 | C2 | C1 | H23 | 60.0° | 62.4° |
| C4 | C2 | C3 | H32 | 180.0° | 65.2° |
| C4 | C2 | C3 | H33 | 60.0° | 174.8° |
| C4 | C2 | C3 | H34 | 60.0° | 54.8° |
| C2 | C4 | N5 | H37 | 10.9° | 66.4° |
| C9 | N2 | C10 | H35 | 180.0° | 180.0° |
| C9 | N2 | C10 | C11 | 111.6° | 85.0° |
| C9 | N2 | C10 | C12 | 125.0° | 155.0° |
| N2 | C9 | C8 | H6 | 6.7° | 39.2° |
| C9 | N2 | C10 | H7 | 6.7° | 35.0° |
| O2 | C9 | N2 | C10 | 3.7° | 0.0° |
| O2 | C9 | C8 | H6 | 173.7° | 140.9° |
| O2 | C9 | N2 | H35 | 176.3° | 180.0° |
| N2 | C10 | C11 | C12 | 123.4° | 120.1° |
| N2 | C10 | C11 | H7 | 118.9° | 120.0° |
| N2 | C10 | C11 | N3 | 167.8° | 0.0° |
| N2 | C10 | C12 | H7 | 118.9° | 120.0° |
| N2 | C10 | C12 | C13 | 69.2° | 64.9° |
| N2 | C10 | C11 | H24 | 12.2° | 180.0° |
| N2 | C10 | C12 | H25 | 51.3° | 175.0° |
| N2 | C10 | C12 | H26 | 170.3° | 55.0° |
| C10 | C11 | N3 | H24 | 180.0° | 180.0° |
| C11 | C10 | C12 | H7 | 117.8° | 119.9° |
| C11 | C10 | C12 | C13 | 167.5° | 175.0° |
| C10 | C11 | N3 | H1 | 180.0° | 180.0° |
| C11 | C10 | C12 | H25 | 72.0° | 54.9° |
| C11 | C10 | C12 | H26 | 47.0° | 65.0° |
| C11 | C10 | N2 | H35 | 68.3° | 95.0° |
| N3 | C11 | C10 | C12 | 68.8° | 120.0° |
| N3 | C11 | C10 | H7 | 48.9° | 120.0° |
| C10 | C12 | C13 | H25 | 120.5° | 120.1° |
| C10 | C12 | C13 | H26 | 120.5° | 120.0° |
| C10 | C12 | C13 | C16 | 178.1° | 66.4° |
| C10 | C12 | C13 | C14 | 63.2° | 178.8° |
| C10 | C12 | C13 | H8 | 58.3° | 56.2° |
| C12 | C10 | C11 | H24 | 111.3° | 60.0° |
| C10 | C12 | H25 | H26 | 118.4° | 120.0° |
| C12 | C10 | N2 | H35 | 55.1° | 25.0° |
| C21 | C2 | C3 | C1 | 117.8° | 120.0° |
| C21 | C2 | C4 | H2 | 56.8° | 178.9° |
| C2 | C21 | H15 | H16 | 120.0° | 120.0° |
| C2 | C21 | H15 | H17 | 120.0° | 120.0° |
| C2 | C21 | H16 | H17 | 120.0° | 120.0° |
| C21 | C2 | C1 | H21 | 59.5° | 177.5° |
| C21 | C2 | C1 | H22 | 179.5° | 62.5° |
| C21 | C2 | C1 | H23 | 60.5° | 57.5° |
| C21 | C2 | C3 | H32 | 59.9° | 54.8° |
| C21 | C2 | C3 | H33 | 60.1° | 65.2° |
| C21 | C2 | C3 | H34 | 179.9° | 174.8° |
| C3 | C2 | C4 | H2 | 176.1° | 59.0° |
| C3 | C2 | C21 | H15 | 59.2° | 180.0° |
| C3 | C2 | C21 | H16 | 179.2° | 60.0° |
| C3 | C2 | C21 | H17 | 60.8° | 60.0° |
| C3 | C2 | C1 | H21 | 58.1° | 62.5° |
| C3 | C2 | C1 | H22 | 61.9° | 57.5° |
| C3 | C2 | C1 | H23 | 178.1° | 177.5° |
| C2 | C3 | H32 | H33 | 120.0° | 120.1° |
| C2 | C3 | H32 | H34 | 120.0° | 120.0° |
| C2 | C3 | H33 | H34 | 120.0° | 120.0° |
| C1 | C2 | C4 | H2 | 63.1° | 61.1° |
| C1 | C2 | C21 | H15 | 58.6° | 60.0° |
| C1 | C2 | C21 | H16 | 61.4° | 60.0° |
| C1 | C2 | C21 | H17 | 178.6° | 180.0° |
| C2 | C1 | H21 | H22 | 120.0° | 120.0° |
| C2 | C1 | H21 | H23 | 120.0° | 120.0° |
| C2 | C1 | H22 | H23 | 120.0° | 120.0° |
| C1 | C2 | C3 | H32 | 57.9° | 174.8° |
| C1 | C2 | C3 | H33 | 177.9° | 54.7° |
| C1 | C2 | C3 | H34 | 62.1° | 65.2° |
| C12 | C13 | C16 | O1 | 36.8° | 77.6° |
| C12 | C13 | C16 | C14 | 126.5° | 118.7° |
| C12 | C13 | C16 | H8 | 119.7° | 122.6° |
| C12 | C13 | C14 | H8 | 121.5° | 122.6° |
| C12 | C13 | C16 | N4 | 144.3° | 102.5° |
| C12 | C13 | C14 | C15 | 154.7° | 93.9° |
| C13 | C12 | C10 | H7 | 49.7° | 55.1° |
| C13 | C12 | H25 | H26 | 118.4° | 119.9° |
| C12 | C13 | C14 | H27 | 35.7° | 148.0° |
| C12 | C13 | C14 | H28 | 86.2° | 24.2° |
| O1 | C16 | C13 | N4 | 178.9° | 179.9° |
| O1 | C16 | C13 | C14 | 163.3° | 163.7° |
| O1 | C16 | N4 | C15 | 176.2° | 179.6° |
| O1 | C16 | C13 | H8 | 82.9° | 45.0° |
| O1 | C16 | N4 | H36 | 3.8° | 0.3° |
| C16 | C13 | C14 | H8 | 113.8° | 118.7° |
| C16 | C13 | C14 | C15 | 30.1° | 24.8° |
| C13 | C16 | N4 | C15 | 2.7° | 0.5° |
| C16 | C13 | C12 | H25 | 57.5° | 173.5° |
| C16 | C13 | C12 | H26 | 61.4° | 53.6° |
| C16 | C13 | C14 | H27 | 89.0° | 93.3° |
| C16 | C13 | C14 | H28 | 149.1° | 143.0° |
| C13 | C16 | N4 | H36 | 177.3° | 179.6° |
| C14 | C13 | C16 | N4 | 17.8° | 16.3° |
| C13 | C14 | C15 | H27 | 119.0° | 118.1° |
| C13 | C14 | C15 | H28 | 119.0° | 118.1° |
| C13 | C14 | C15 | N4 | 31.4° | 25.5° |
| C13 | C14 | C15 | H9 | 150.2° | 93.6° |
| C13 | C14 | C15 | H10 | 87.3° | 144.5° |
| C14 | C13 | C12 | H25 | 176.3° | 58.7° |
| C14 | C13 | C12 | H26 | 57.3° | 61.2° |
| C13 | C14 | H27 | H28 | 122.8° | 123.8° |
| C16 | N4 | C15 | C14 | 22.0° | 17.1° |
| C16 | N4 | C15 | H36 | 180.0° | 179.9° |
| N4 | C16 | C13 | H8 | 96.0° | 134.9° |
| C16 | N4 | C15 | H9 | 140.8° | 102.0° |
| C16 | N4 | C15 | H10 | 96.8° | 136.1° |
| C14 | C15 | N4 | H9 | 118.8° | 119.1° |
| C14 | C15 | N4 | H10 | 118.8° | 119.0° |
| C15 | C14 | C13 | H8 | 83.8° | 143.5° |
| C14 | C15 | H9 | H10 | 123.5° | 121.9° |
| C15 | C14 | H27 | H28 | 122.8° | 123.8° |
| C14 | C15 | N4 | H36 | 158.0° | 163.0° |
| N4 | C15 | H9 | H10 | 123.4° | 122.0° |
| N4 | C15 | C14 | H27 | 87.6° | 92.7° |
| N4 | C15 | C14 | H28 | 150.5° | 143.6° |
| H1 | N3 | C11 | H24 | 0.0° | 0.0° |
| H2 | C4 | N5 | H37 | 105.7° | 173.7° |
| H3 | C6 | C7 | H5 | 23.6° | 78.2° |
| H4 | C6 | C7 | H5 | 98.0° | 44.2° |
| H5 | C7 | C17 | H11 | 0.1° | 0.0° |
| H6 | C8 | C17 | H11 | 97.4° | 78.1° |
| H7 | C10 | C11 | H24 | 131.0° | 60.0° |
| H7 | C10 | C12 | H25 | 170.2° | 65.0° |
| H7 | C10 | C12 | H26 | 70.8° | 175.1° |
| H7 | C10 | N2 | H35 | 173.3° | 145.0° |
| H8 | C13 | C12 | H25 | 62.2° | 63.9° |
| H8 | C13 | C12 | H26 | 178.8° | 176.2° |
| H8 | C13 | C14 | H27 | 157.2° | 25.4° |
| H8 | C13 | C14 | H28 | 35.2° | 98.4° |
| H9 | C15 | C14 | H27 | 31.2° | 148.2° |
| H9 | C15 | C14 | H28 | 90.8° | 24.5° |
| H9 | C15 | N4 | H36 | 39.2° | 78.0° |
| H10 | C15 | C14 | H27 | 153.6° | 26.4° |
| H10 | C15 | C14 | H28 | 31.7° | 97.4° |
| H10 | C15 | N4 | H36 | 83.3° | 44.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.1° |
| H15 | C21 | H16 | H17 | 120.0° | 120.0° |
| H18 | C22 | H19 | H20 | 120.0° | 120.0° |
| H21 | C1 | H22 | H23 | 120.0° | 120.0° |
| H29 | C19 | H30 | H31 | 120.0° | 120.1° |
| H32 | C3 | H33 | H34 | 120.0° | 119.9° |
