G9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | P1 | doub | 1.48Å | 1.52Å | |
| P1 | O8 | sing | 1.61Å | 1.51Å | |
| P1 | O6 | sing | 1.61Å | 1.57Å | |
| O6 | C7 | sing | 1.43Å | 1.39Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C20 | C6 | sing | 1.53Å | 1.50Å | |
| C6 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | C30 | sing | 1.53Å | 1.56Å | |
| C30 | O5 | sing | 1.43Å | 1.38Å | |
| C30 | C5 | sing | 1.51Å | 1.54Å | |
| O4 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | N3 | sing | 1.35Å | 1.47Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| O2 | C2 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | N2 | sing | 1.35Å | 1.46Å | |
| C1 | N2 | sing | 1.46Å | 1.44Å | |
| C1 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | S1 | sing | 1.81Å | 1.79Å | |
| O3 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | S1 | sing | 1.71Å | 1.77Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| P1 | O1 | sing | 1.61Å | 1.56Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C29 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| N3 | H46 | sing | 0.97Å | 1.00Å | |
| O5 | H47 | sing | 0.97Å | 0.95Å | |
| O8 | H48 | sing | 0.97Å | 0.95Å | |
| O1 | H49 | sing | 0.97Å | 0.95Å | |
| C23 | H50 | sing | 1.09Å | 1.10Å | |
| C24 | H51 | sing | 1.09Å | 1.10Å | |
| C26 | H52 | sing | 1.09Å | 1.10Å | |
| C27 | H53 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | P1 | O8 | 111.9° | 109.5° |
| O9 | P1 | O6 | 111.1° | 109.5° |
| O9 | P1 | O1 | 110.0° | 109.5° |
| O8 | P1 | O6 | 109.9° | 109.5° |
| O8 | P1 | O1 | 107.0° | 109.5° |
| P1 | O8 | H48 | 109.5° | 114.0° |
| P1 | O6 | C7 | 120.8° | 123.0° |
| O6 | P1 | O1 | 106.8° | 109.4° |
| O6 | C7 | C6 | 116.1° | 109.5° |
| O6 | C7 | H7 | 107.8° | 109.5° |
| O6 | C7 | H8 | 107.8° | 109.5° |
| C7 | C6 | C20 | 107.7° | 109.5° |
| C7 | C6 | C8 | 109.1° | 109.5° |
| C7 | C6 | C30 | 106.7° | 109.5° |
| C6 | C7 | H7 | 107.8° | 109.5° |
| C6 | C7 | H8 | 107.8° | 109.4° |
| C20 | C6 | C8 | 110.2° | 109.5° |
| C20 | C6 | C30 | 111.0° | 109.5° |
| C6 | C20 | H27 | 109.5° | 109.5° |
| C6 | C20 | H28 | 109.4° | 109.5° |
| C6 | C20 | H29 | 109.5° | 109.5° |
| C8 | C6 | C30 | 111.8° | 109.4° |
| C6 | C8 | H9 | 109.5° | 109.5° |
| C6 | C8 | H10 | 109.4° | 109.5° |
| C6 | C8 | H11 | 109.5° | 109.5° |
| C6 | C30 | O5 | 112.7° | 109.5° |
| C6 | C30 | C5 | 118.2° | 109.4° |
| C6 | C30 | H45 | 104.2° | 109.5° |
| O5 | C30 | C5 | 109.7° | 109.5° |
| O5 | C30 | H45 | 106.2° | 109.5° |
| C30 | O5 | H47 | 109.5° | 113.9° |
| C30 | C5 | O4 | 118.5° | 120.0° |
| C30 | C5 | N3 | 123.7° | 120.0° |
| C5 | C30 | H45 | 104.5° | 109.4° |
| O4 | C5 | N3 | 117.8° | 120.0° |
| C5 | N3 | C4 | 125.7° | 120.0° |
| C5 | N3 | H46 | 117.1° | 120.0° |
| N3 | C4 | C3 | 115.5° | 109.5° |
| N3 | C4 | H5 | 108.0° | 109.5° |
| N3 | C4 | H6 | 108.0° | 109.5° |
| C4 | N3 | H46 | 117.2° | 120.0° |
| O2 | C2 | C3 | 119.9° | 120.1° |
| O2 | C2 | N2 | 120.2° | 120.0° |
| C4 | C3 | C2 | 115.8° | 109.4° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C4 | C3 | H4 | 107.9° | 109.4° |
| C3 | C4 | H5 | 107.9° | 109.5° |
| C3 | C4 | H6 | 107.9° | 109.5° |
| C3 | C2 | N2 | 119.9° | 120.0° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| C2 | C3 | H4 | 107.9° | 109.4° |
| C2 | N2 | C1 | 121.0° | 120.0° |
| C2 | N2 | H24 | 119.5° | 120.0° |
| N2 | C1 | C19 | 116.3° | 109.5° |
| N2 | C1 | H1 | 107.7° | 109.5° |
| N2 | C1 | H2 | 107.8° | 109.5° |
| C1 | N2 | H24 | 119.5° | 120.1° |
| C1 | C19 | S1 | 115.1° | 109.5° |
| C19 | C1 | H1 | 107.7° | 109.4° |
| C19 | C1 | H2 | 107.7° | 109.5° |
| C1 | C19 | H25 | 108.0° | 109.4° |
| C1 | C19 | H26 | 108.1° | 109.5° |
| C19 | S1 | C10 | 104.8° | 100.0° |
| S1 | C19 | H25 | 108.0° | 109.5° |
| S1 | C19 | H26 | 108.0° | 109.5° |
| O3 | C10 | S1 | 119.0° | 120.0° |
| O3 | C10 | C11 | 121.8° | 120.0° |
| S1 | C10 | C11 | 118.4° | 120.0° |
| C10 | C11 | C12 | 115.0° | 109.5° |
| C10 | C11 | H12 | 108.1° | 109.5° |
| C10 | C11 | H13 | 108.1° | 109.5° |
| C13 | C14 | C15 | 117.0° | 109.5° |
| C14 | C13 | C12 | 116.2° | 109.5° |
| C14 | C13 | H16 | 107.7° | 109.5° |
| C14 | C13 | H17 | 107.8° | 109.5° |
| C13 | C14 | H18 | 107.6° | 109.5° |
| C13 | C14 | H19 | 107.5° | 109.5° |
| C14 | C15 | C16 | 117.9° | 109.5° |
| C15 | C14 | H18 | 107.5° | 109.5° |
| C15 | C14 | H19 | 107.6° | 109.5° |
| C14 | C15 | H20 | 107.3° | 109.4° |
| C14 | C15 | H21 | 107.3° | 109.5° |
| C11 | C12 | C13 | 115.5° | 109.5° |
| C12 | C11 | H12 | 108.1° | 109.5° |
| C12 | C11 | H13 | 108.1° | 109.5° |
| C11 | C12 | H14 | 107.9° | 109.5° |
| C11 | C12 | H15 | 107.9° | 109.5° |
| C13 | C12 | H14 | 107.9° | 109.5° |
| C13 | C12 | H15 | 107.9° | 109.5° |
| C12 | C13 | H16 | 107.8° | 109.5° |
| C12 | C13 | H17 | 107.7° | 109.5° |
| C15 | C16 | C21 | 118.2° | 109.5° |
| C16 | C15 | H20 | 107.3° | 109.5° |
| C16 | C15 | H21 | 107.3° | 109.5° |
| C15 | C16 | H22 | 107.3° | 109.5° |
| C15 | C16 | H23 | 107.2° | 109.5° |
| C16 | C21 | C22 | 114.2° | 109.4° |
| C21 | C16 | H22 | 107.2° | 109.5° |
| C21 | C16 | H23 | 107.2° | 109.5° |
| C16 | C21 | H30 | 108.3° | 109.5° |
| C16 | C21 | H31 | 108.3° | 109.5° |
| C21 | C22 | C23 | 118.7° | 109.4° |
| C22 | C21 | H30 | 108.3° | 109.5° |
| C22 | C21 | H31 | 108.3° | 109.5° |
| C21 | C22 | H32 | 107.1° | 109.5° |
| C21 | C22 | H33 | 107.1° | 109.5° |
| C22 | C23 | C24 | 115.8° | 109.5° |
| C23 | C22 | H32 | 107.1° | 109.5° |
| C23 | C22 | H33 | 107.1° | 109.5° |
| C22 | C23 | H34 | 107.8° | 109.5° |
| C22 | C23 | H50 | 107.9° | 109.5° |
| C23 | C24 | C25 | 119.8° | 109.5° |
| C24 | C23 | H34 | 107.9° | 109.5° |
| C23 | C24 | H35 | 106.8° | 109.5° |
| C24 | C23 | H50 | 107.8° | 109.5° |
| C23 | C24 | H51 | 106.9° | 109.5° |
| C24 | C25 | C26 | 117.7° | 109.5° |
| C25 | C24 | H35 | 106.8° | 109.4° |
| C24 | C25 | H36 | 107.4° | 109.4° |
| C24 | C25 | H37 | 107.4° | 109.5° |
| C25 | C24 | H51 | 106.8° | 109.5° |
| C25 | C26 | C27 | 117.2° | 109.5° |
| C26 | C25 | H36 | 107.4° | 109.5° |
| C26 | C25 | H37 | 107.4° | 109.5° |
| C25 | C26 | H38 | 107.5° | 109.5° |
| C25 | C26 | H52 | 107.5° | 109.5° |
| C26 | C27 | C28 | 116.0° | 109.5° |
| C27 | C26 | H38 | 107.5° | 109.5° |
| C26 | C27 | H39 | 107.8° | 109.5° |
| C27 | C26 | H52 | 107.5° | 109.4° |
| C26 | C27 | H53 | 107.8° | 109.4° |
| C27 | C28 | C29 | 117.7° | 109.4° |
| C28 | C27 | H39 | 107.8° | 109.5° |
| C27 | C28 | H40 | 107.4° | 109.5° |
| C27 | C28 | H41 | 107.3° | 109.5° |
| C28 | C27 | H53 | 107.8° | 109.5° |
| C29 | C28 | H40 | 107.3° | 109.5° |
| C29 | C28 | H41 | 107.4° | 109.4° |
| C28 | C29 | H42 | 109.5° | 109.5° |
| C28 | C29 | H43 | 109.4° | 109.5° |
| C28 | C29 | H44 | 109.5° | 109.5° |
| P1 | O1 | H49 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| H9 | C8 | H11 | 109.5° | 109.4° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.5° | 109.5° |
| H32 | C22 | H33 | 109.4° | 109.5° |
| H34 | C23 | H50 | 109.5° | 109.5° |
| H35 | C24 | H51 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.4° |
| H38 | C26 | H52 | 109.5° | 109.4° |
| H39 | C27 | H53 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| H42 | C29 | H44 | 109.5° | 109.5° |
| H43 | C29 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | P1 | O8 | O6 | 123.9° | 120.0° |
| O9 | P1 | O8 | O1 | 120.6° | 120.0° |
| O9 | P1 | O6 | O1 | 120.0° | 120.0° |
| O9 | P1 | O6 | C7 | 76.1° | 55.0° |
| O9 | P1 | O8 | H48 | 0.0° | 60.0° |
| O9 | P1 | O1 | H49 | 0.0° | 180.0° |
| O8 | P1 | O6 | O1 | 115.6° | 120.0° |
| O8 | P1 | O6 | C7 | 159.5° | 175.0° |
| O8 | P1 | O1 | H49 | 121.8° | 59.9° |
| P1 | O6 | C7 | C6 | 145.6° | 180.0° |
| P1 | O6 | C7 | H7 | 24.7° | 60.0° |
| P1 | O6 | C7 | H8 | 93.4° | 60.0° |
| O6 | P1 | O8 | H48 | 123.9° | 180.0° |
| O6 | P1 | O1 | H49 | 120.7° | 60.0° |
| O6 | C7 | C6 | H7 | 120.9° | 120.1° |
| O6 | C7 | C6 | H8 | 121.0° | 120.0° |
| O6 | C7 | C6 | C20 | 87.7° | 60.0° |
| O6 | C7 | C6 | C8 | 152.7° | 60.0° |
| O6 | C7 | C6 | C30 | 31.6° | 180.0° |
| C7 | O6 | P1 | O1 | 43.9° | 65.0° |
| O6 | C7 | H7 | H8 | 117.0° | 120.0° |
| C7 | C6 | C20 | C8 | 119.0° | 120.0° |
| C7 | C6 | C20 | C30 | 116.6° | 120.0° |
| C7 | C6 | C8 | C30 | 117.9° | 120.0° |
| C7 | C6 | C30 | O5 | 54.0° | 65.7° |
| C7 | C6 | C30 | C5 | 176.2° | 54.3° |
| C6 | C7 | H7 | H8 | 117.0° | 119.9° |
| C7 | C6 | C8 | H9 | 180.0° | 54.6° |
| C7 | C6 | C8 | H10 | 60.0° | 65.3° |
| C7 | C6 | C8 | H11 | 60.0° | 174.6° |
| C7 | C6 | C20 | H27 | 180.0° | 66.3° |
| C7 | C6 | C20 | H28 | 60.0° | 53.7° |
| C7 | C6 | C20 | H29 | 60.0° | 173.7° |
| C7 | C6 | C30 | H45 | 60.7° | 174.2° |
| C20 | C6 | C8 | C30 | 124.0° | 120.0° |
| C20 | C6 | C30 | O5 | 171.2° | 174.3° |
| C20 | C6 | C30 | C5 | 59.1° | 65.7° |
| C20 | C6 | C7 | H7 | 33.2° | 179.9° |
| C20 | C6 | C7 | H8 | 151.4° | 60.0° |
| C20 | C6 | C8 | H9 | 61.9° | 174.7° |
| C20 | C6 | C8 | H10 | 58.1° | 54.7° |
| C20 | C6 | C8 | H11 | 178.1° | 65.4° |
| C6 | C20 | H27 | H28 | 120.0° | 120.0° |
| C6 | C20 | H27 | H29 | 120.0° | 120.0° |
| C6 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C6 | C30 | H45 | 56.4° | 54.2° |
| C8 | C6 | C30 | O5 | 65.3° | 54.3° |
| C8 | C6 | C30 | C5 | 64.5° | 174.3° |
| C8 | C6 | C7 | H7 | 86.4° | 60.1° |
| C8 | C6 | C7 | H8 | 31.7° | 180.0° |
| C6 | C8 | H9 | H10 | 120.0° | 120.0° |
| C6 | C8 | H9 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H11 | 120.0° | 120.1° |
| C8 | C6 | C20 | H27 | 61.1° | 53.7° |
| C8 | C6 | C20 | H28 | 179.0° | 173.7° |
| C8 | C6 | C20 | H29 | 58.9° | 66.3° |
| C8 | C6 | C30 | H45 | 180.0° | 65.8° |
| C6 | C30 | O5 | C5 | 134.0° | 120.0° |
| C6 | C30 | O5 | H45 | 113.5° | 120.0° |
| C6 | C30 | C5 | H45 | 115.3° | 119.9° |
| C6 | C30 | C5 | O4 | 85.1° | 111.9° |
| C6 | C30 | C5 | N3 | 95.7° | 68.2° |
| C30 | C6 | C7 | H7 | 152.6° | 59.9° |
| C30 | C6 | C7 | H8 | 89.3° | 60.0° |
| C30 | C6 | C8 | H9 | 62.1° | 65.3° |
| C30 | C6 | C8 | H10 | 177.9° | 174.7° |
| C30 | C6 | C8 | H11 | 57.9° | 54.6° |
| C30 | C6 | C20 | H27 | 63.4° | 173.7° |
| C30 | C6 | C20 | H28 | 56.6° | 66.3° |
| C30 | C6 | C20 | H29 | 176.6° | 53.7° |
| C6 | C30 | O5 | H47 | 180.0° | 60.0° |
| O5 | C30 | C5 | H45 | 113.5° | 120.0° |
| O5 | C30 | C5 | O4 | 143.8° | 8.2° |
| O5 | C30 | C5 | N3 | 35.5° | 171.8° |
| C30 | C5 | O4 | N3 | 179.3° | 179.9° |
| C30 | C5 | N3 | C4 | 1.1° | 175.6° |
| C30 | C5 | N3 | H46 | 178.9° | 4.3° |
| C5 | C30 | O5 | H47 | 46.0° | 60.0° |
| O4 | C5 | N3 | C4 | 179.7° | 4.5° |
| O4 | C5 | C30 | H45 | 30.3° | 128.2° |
| O4 | C5 | N3 | H46 | 0.4° | 175.6° |
| C5 | N3 | C4 | H46 | 180.0° | 179.9° |
| C5 | N3 | C4 | C3 | 132.5° | 179.9° |
| C5 | N3 | C4 | H5 | 11.6° | 60.1° |
| C5 | N3 | C4 | H6 | 106.7° | 59.9° |
| N3 | C5 | C30 | H45 | 149.0° | 51.7° |
| N3 | C4 | C3 | H5 | 120.9° | 120.0° |
| N3 | C4 | C3 | H6 | 120.9° | 120.0° |
| N3 | C4 | C3 | C2 | 23.9° | 179.9° |
| N3 | C4 | C3 | H3 | 144.8° | 60.0° |
| N3 | C4 | C3 | H4 | 97.0° | 60.0° |
| N3 | C4 | H5 | H6 | 117.3° | 120.0° |
| O2 | C2 | C3 | C4 | 118.8° | 0.1° |
| O2 | C2 | C3 | N2 | 179.2° | 179.9° |
| O2 | C2 | N2 | C1 | 0.8° | 0.1° |
| O2 | C2 | C3 | H3 | 2.1° | 119.9° |
| O2 | C2 | C3 | H4 | 120.2° | 120.0° |
| O2 | C2 | N2 | H24 | 179.2° | 180.0° |
| C4 | C3 | C2 | H3 | 120.9° | 120.0° |
| C4 | C3 | C2 | H4 | 120.9° | 119.9° |
| C4 | C3 | C2 | N2 | 60.3° | 180.0° |
| C4 | C3 | H3 | H4 | 117.2° | 120.0° |
| C3 | C4 | H5 | H6 | 117.2° | 120.0° |
| C3 | C4 | N3 | H46 | 47.6° | 0.1° |
| C3 | C2 | N2 | C1 | 179.9° | 180.0° |
| C2 | C3 | H3 | H4 | 117.1° | 120.0° |
| C2 | C3 | C4 | H5 | 97.0° | 60.0° |
| C2 | C3 | C4 | H6 | 144.8° | 60.0° |
| C3 | C2 | N2 | H24 | 0.1° | 0.1° |
| C2 | N2 | C1 | H24 | 180.0° | 179.9° |
| C2 | N2 | C1 | C19 | 84.5° | 180.0° |
| C2 | N2 | C1 | H1 | 154.5° | 60.0° |
| C2 | N2 | C1 | H2 | 36.5° | 60.0° |
| N2 | C2 | C3 | H3 | 178.7° | 60.0° |
| N2 | C2 | C3 | H4 | 60.6° | 60.1° |
| N2 | C1 | C19 | H1 | 121.0° | 120.0° |
| N2 | C1 | C19 | H2 | 121.0° | 120.0° |
| N2 | C1 | C19 | S1 | 64.8° | 180.0° |
| N2 | C1 | H1 | H2 | 116.9° | 120.1° |
| N2 | C1 | C19 | H25 | 174.3° | 60.0° |
| N2 | C1 | C19 | H26 | 56.0° | 60.0° |
| C1 | C19 | S1 | H25 | 120.8° | 119.9° |
| C1 | C19 | S1 | H26 | 120.8° | 120.0° |
| C1 | C19 | S1 | C10 | 79.5° | 180.0° |
| C19 | C1 | H1 | H2 | 116.9° | 120.0° |
| C19 | C1 | N2 | H24 | 95.5° | 0.0° |
| C1 | C19 | H25 | H26 | 117.4° | 120.0° |
| C19 | S1 | C10 | O3 | 14.1° | 0.0° |
| C19 | S1 | C10 | C11 | 175.9° | 180.0° |
| S1 | C19 | C1 | H1 | 56.1° | 60.0° |
| S1 | C19 | C1 | H2 | 174.2° | 60.0° |
| S1 | C19 | H25 | H26 | 117.4° | 120.1° |
| O3 | C10 | S1 | C11 | 170.0° | 180.0° |
| O3 | C10 | C11 | C12 | 97.8° | 0.0° |
| O3 | C10 | C11 | H12 | 141.3° | 120.0° |
| O3 | C10 | C11 | H13 | 23.0° | 120.1° |
| S1 | C10 | C11 | C12 | 92.5° | 180.0° |
| S1 | C10 | C11 | H12 | 28.3° | 60.0° |
| S1 | C10 | C11 | H13 | 146.7° | 60.0° |
| C10 | S1 | C19 | H25 | 41.3° | 60.0° |
| C10 | S1 | C19 | H26 | 159.6° | 60.0° |
| C10 | C11 | C12 | H12 | 120.8° | 120.0° |
| C10 | C11 | C12 | H13 | 120.8° | 120.0° |
| C10 | C11 | C12 | C13 | 5.6° | 180.0° |
| C10 | C11 | H12 | H13 | 117.5° | 120.0° |
| C10 | C11 | C12 | H14 | 126.5° | 60.0° |
| C10 | C11 | C12 | H15 | 115.3° | 60.0° |
| C13 | C14 | C15 | H18 | 121.1° | 120.1° |
| C13 | C14 | C15 | H19 | 121.1° | 120.0° |
| C14 | C13 | C12 | C11 | 116.4° | 180.0° |
| C14 | C13 | C12 | H16 | 121.0° | 120.0° |
| C14 | C13 | C12 | H17 | 121.0° | 120.0° |
| C13 | C14 | C15 | C16 | 76.8° | 180.0° |
| C14 | C13 | C12 | H14 | 122.7° | 60.0° |
| C14 | C13 | C12 | H15 | 4.5° | 60.0° |
| C14 | C13 | H16 | H17 | 116.9° | 120.0° |
| C13 | C14 | H18 | H19 | 116.5° | 120.0° |
| C13 | C14 | C15 | H20 | 44.4° | 60.0° |
| C13 | C14 | C15 | H21 | 162.0° | 60.0° |
| C15 | C14 | C13 | C12 | 100.4° | 180.0° |
| C14 | C15 | C16 | H20 | 121.2° | 120.0° |
| C14 | C15 | C16 | H21 | 121.2° | 120.0° |
| C14 | C15 | C16 | C21 | 153.0° | 180.0° |
| C15 | C14 | C13 | H16 | 20.6° | 60.0° |
| C15 | C14 | C13 | H17 | 138.6° | 60.0° |
| C15 | C14 | H18 | H19 | 116.6° | 120.0° |
| C14 | C15 | H20 | H21 | 116.2° | 120.0° |
| C14 | C15 | C16 | H22 | 31.8° | 60.0° |
| C14 | C15 | C16 | H23 | 85.7° | 60.0° |
| C11 | C12 | C13 | H14 | 120.9° | 120.0° |
| C11 | C12 | C13 | H15 | 120.9° | 120.0° |
| C12 | C11 | H12 | H13 | 117.5° | 120.0° |
| C11 | C12 | H14 | H15 | 117.2° | 120.0° |
| C11 | C12 | C13 | H16 | 122.7° | 60.0° |
| C11 | C12 | C13 | H17 | 4.6° | 60.0° |
| C13 | C12 | C11 | H12 | 115.2° | 60.0° |
| C13 | C12 | C11 | H13 | 126.4° | 60.0° |
| C13 | C12 | H14 | H15 | 117.2° | 120.0° |
| C12 | C13 | H16 | H17 | 116.9° | 120.0° |
| C12 | C13 | C14 | H18 | 20.7° | 60.0° |
| C12 | C13 | C14 | H19 | 138.5° | 60.0° |
| C15 | C16 | C21 | H22 | 121.3° | 120.0° |
| C15 | C16 | C21 | H23 | 121.2° | 120.0° |
| C15 | C16 | C21 | C22 | 156.2° | 179.9° |
| C16 | C15 | C14 | H18 | 162.1° | 60.0° |
| C16 | C15 | C14 | H19 | 44.3° | 59.9° |
| C16 | C15 | H20 | H21 | 116.2° | 120.0° |
| C15 | C16 | H22 | H23 | 116.1° | 120.0° |
| C15 | C16 | C21 | H30 | 35.5° | 60.0° |
| C15 | C16 | C21 | H31 | 83.1° | 60.0° |
| C16 | C21 | C22 | H30 | 120.7° | 120.0° |
| C16 | C21 | C22 | H31 | 120.7° | 120.0° |
| C16 | C21 | C22 | C23 | 162.2° | 180.0° |
| C21 | C16 | C15 | H20 | 85.8° | 60.0° |
| C21 | C16 | C15 | H21 | 31.8° | 60.0° |
| C21 | C16 | H22 | H23 | 116.0° | 120.0° |
| C16 | C21 | H30 | H31 | 117.8° | 120.0° |
| C16 | C21 | C22 | H32 | 76.5° | 60.0° |
| C16 | C21 | C22 | H33 | 40.8° | 60.0° |
| C21 | C22 | C23 | H32 | 121.3° | 120.0° |
| C21 | C22 | C23 | H33 | 121.3° | 120.0° |
| C21 | C22 | C23 | C24 | 120.3° | 180.0° |
| C22 | C21 | C16 | H22 | 82.5° | 60.0° |
| C22 | C21 | C16 | H23 | 35.0° | 60.0° |
| C22 | C21 | H30 | H31 | 117.8° | 120.0° |
| C21 | C22 | H32 | H33 | 115.8° | 120.0° |
| C21 | C22 | C23 | H34 | 118.8° | 60.0° |
| C21 | C22 | C23 | H50 | 0.6° | 60.0° |
| C22 | C23 | C24 | H34 | 120.9° | 120.0° |
| C22 | C23 | C24 | H50 | 120.9° | 120.0° |
| C22 | C23 | C24 | C25 | 169.7° | 180.0° |
| C23 | C22 | C21 | H30 | 41.5° | 60.0° |
| C23 | C22 | C21 | H31 | 77.1° | 60.0° |
| C23 | C22 | H32 | H33 | 115.8° | 120.0° |
| C22 | C23 | H34 | H50 | 117.1° | 120.0° |
| C22 | C23 | C24 | H35 | 68.9° | 60.0° |
| C22 | C23 | C24 | H51 | 48.2° | 60.0° |
| C23 | C24 | C25 | H35 | 121.4° | 120.0° |
| C23 | C24 | C25 | H51 | 121.5° | 120.0° |
| C23 | C24 | C25 | C26 | 157.7° | 180.0° |
| C24 | C23 | C22 | H32 | 1.0° | 60.0° |
| C24 | C23 | C22 | H33 | 118.4° | 60.0° |
| C24 | C23 | H34 | H50 | 117.1° | 120.0° |
| C23 | C24 | H35 | H51 | 115.4° | 120.0° |
| C23 | C24 | C25 | H36 | 36.6° | 60.0° |
| C23 | C24 | C25 | H37 | 81.1° | 60.0° |
| C24 | C25 | C26 | H36 | 121.2° | 120.0° |
| C24 | C25 | C26 | H37 | 121.2° | 120.0° |
| C24 | C25 | C26 | C27 | 90.0° | 179.9° |
| C25 | C24 | C23 | H34 | 48.7° | 60.0° |
| C25 | C24 | H35 | H51 | 115.3° | 120.0° |
| C24 | C25 | H36 | H37 | 116.3° | 120.0° |
| C24 | C25 | C26 | H38 | 148.9° | 60.0° |
| C25 | C24 | C23 | H50 | 69.4° | 60.0° |
| C24 | C25 | C26 | H52 | 31.1° | 60.0° |
| C25 | C26 | C27 | H38 | 121.1° | 120.1° |
| C25 | C26 | C27 | H52 | 121.1° | 120.0° |
| C25 | C26 | C27 | C28 | 168.9° | 180.0° |
| C26 | C25 | C24 | H35 | 80.8° | 60.0° |
| C26 | C25 | H36 | H37 | 116.2° | 120.0° |
| C25 | C26 | H38 | H52 | 116.5° | 120.0° |
| C25 | C26 | C27 | H39 | 70.1° | 60.0° |
| C26 | C25 | C24 | H51 | 36.3° | 60.0° |
| C25 | C26 | C27 | H53 | 48.0° | 60.0° |
| C26 | C27 | C28 | H39 | 121.0° | 120.1° |
| C26 | C27 | C28 | H53 | 120.9° | 119.9° |
| C26 | C27 | C28 | C29 | 117.7° | 180.0° |
| C27 | C26 | C25 | H36 | 31.2° | 60.0° |
| C27 | C26 | C25 | H37 | 148.8° | 60.0° |
| C27 | C26 | H38 | H52 | 116.5° | 119.9° |
| C26 | C27 | H39 | H53 | 117.0° | 120.0° |
| C26 | C27 | C28 | H40 | 3.4° | 60.0° |
| C26 | C27 | C28 | H41 | 121.1° | 60.1° |
| C27 | C28 | C29 | H40 | 121.2° | 120.0° |
| C27 | C28 | C29 | H41 | 121.2° | 120.0° |
| C28 | C27 | C26 | H38 | 47.8° | 59.9° |
| C28 | C27 | H39 | H53 | 117.0° | 120.0° |
| C27 | C28 | H40 | H41 | 116.3° | 120.1° |
| C27 | C28 | C29 | H42 | 180.0° | 60.0° |
| C27 | C28 | C29 | H43 | 60.0° | 180.0° |
| C27 | C28 | C29 | H44 | 60.0° | 60.0° |
| C28 | C27 | C26 | H52 | 70.0° | 60.1° |
| C29 | C28 | C27 | H39 | 121.3° | 60.0° |
| C29 | C28 | H40 | H41 | 116.3° | 120.0° |
| C28 | C29 | H42 | H43 | 120.0° | 120.0° |
| C28 | C29 | H42 | H44 | 120.0° | 120.0° |
| C28 | C29 | H43 | H44 | 120.0° | 120.0° |
| C29 | C28 | C27 | H53 | 3.2° | 60.0° |
| O1 | P1 | O8 | H48 | 120.5° | 60.1° |
| H1 | C1 | N2 | H24 | 25.5° | 120.0° |
| H1 | C1 | C19 | H25 | 64.7° | 180.0° |
| H1 | C1 | C19 | H26 | 177.0° | 60.0° |
| H2 | C1 | N2 | H24 | 143.5° | 120.0° |
| H2 | C1 | C19 | H25 | 53.3° | 60.0° |
| H2 | C1 | C19 | H26 | 65.0° | 180.0° |
| H3 | C3 | C4 | H5 | 23.9° | 180.0° |
| H3 | C3 | C4 | H6 | 94.3° | 60.0° |
| H4 | C3 | C4 | H5 | 142.1° | 59.9° |
| H4 | C3 | C4 | H6 | 23.9° | 180.0° |
| H5 | C4 | N3 | H46 | 168.4° | 120.0° |
| H6 | C4 | N3 | H46 | 73.3° | 119.9° |
| H9 | C8 | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C12 | H14 | 5.6° | 180.0° |
| H12 | C11 | C12 | H15 | 123.9° | 60.0° |
| H13 | C11 | C12 | H14 | 112.7° | 60.0° |
| H13 | C11 | C12 | H15 | 5.5° | 180.0° |
| H14 | C12 | C13 | H16 | 1.8° | 180.0° |
| H14 | C12 | C13 | H17 | 116.3° | 60.0° |
| H15 | C12 | C13 | H16 | 116.5° | 60.0° |
| H15 | C12 | C13 | H17 | 125.5° | 180.0° |
| H16 | C13 | C14 | H18 | 141.7° | 179.9° |
| H16 | C13 | C14 | H19 | 100.5° | 60.0° |
| H17 | C13 | C14 | H18 | 100.3° | 60.0° |
| H17 | C13 | C14 | H19 | 17.5° | 180.0° |
| H18 | C14 | C15 | H20 | 76.7° | 180.0° |
| H18 | C14 | C15 | H21 | 40.9° | 60.1° |
| H19 | C14 | C15 | H20 | 165.5° | 60.1° |
| H19 | C14 | C15 | H21 | 76.9° | 180.0° |
| H20 | C15 | C16 | H22 | 153.0° | 180.0° |
| H20 | C15 | C16 | H23 | 35.5° | 60.0° |
| H21 | C15 | C16 | H22 | 89.4° | 60.0° |
| H21 | C15 | C16 | H23 | 153.1° | 180.0° |
| H22 | C16 | C21 | H30 | 156.8° | 180.0° |
| H22 | C16 | C21 | H31 | 38.2° | 60.0° |
| H23 | C16 | C21 | H30 | 85.7° | 60.0° |
| H23 | C16 | C21 | H31 | 155.7° | 180.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| H30 | C21 | C22 | H32 | 162.8° | 180.0° |
| H30 | C21 | C22 | H33 | 79.8° | 60.0° |
| H31 | C21 | C22 | H32 | 44.2° | 59.9° |
| H31 | C21 | C22 | H33 | 161.6° | 180.0° |
| H32 | C22 | C23 | H34 | 119.9° | 180.0° |
| H32 | C22 | C23 | H50 | 122.0° | 60.0° |
| H33 | C22 | C23 | H34 | 2.5° | 60.0° |
| H33 | C22 | C23 | H50 | 120.7° | 180.0° |
| H34 | C23 | C24 | H35 | 170.2° | NaN° |
| H34 | C23 | C24 | H51 | 72.7° | 60.0° |
| H35 | C24 | C25 | H36 | 158.0° | 180.0° |
| H35 | C24 | C25 | H37 | 40.4° | 60.1° |
| H35 | C24 | C23 | H50 | 52.0° | 60.0° |
| H36 | C25 | C26 | H38 | 89.9° | 180.0° |
| H36 | C25 | C24 | H51 | 84.9° | 60.0° |
| H36 | C25 | C26 | H52 | 152.3° | 60.0° |
| H37 | C25 | C26 | H38 | 27.7° | 60.1° |
| H37 | C25 | C24 | H51 | 157.5° | 179.9° |
| H37 | C25 | C26 | H52 | 90.1° | 179.9° |
| H38 | C26 | C27 | H39 | 168.7° | 180.0° |
| H38 | C26 | C27 | H53 | 73.1° | 60.0° |
| H39 | C27 | C28 | H40 | 117.5° | 180.0° |
| H39 | C27 | C28 | H41 | 0.1° | 60.0° |
| H39 | C27 | C26 | H52 | 51.0° | 60.0° |
| H40 | C28 | C29 | H42 | 58.8° | 60.0° |
| H40 | C28 | C29 | H43 | 178.8° | 60.0° |
| H40 | C28 | C29 | H44 | 61.2° | 180.0° |
| H40 | C28 | C27 | H53 | 124.3° | 59.9° |
| H41 | C28 | C29 | H42 | 58.8° | 180.0° |
| H41 | C28 | C29 | H43 | 61.2° | 60.0° |
| H41 | C28 | C29 | H44 | 178.9° | 60.0° |
| H41 | C28 | C27 | H53 | 118.0° | 180.0° |
| H42 | C29 | H43 | H44 | 120.0° | 120.0° |
| H45 | C30 | O5 | H47 | 66.5° | 180.0° |
| H50 | C23 | C24 | H51 | 169.1° | 180.0° |
| H52 | C26 | C27 | H53 | 169.1° | 180.0° |
