G7C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C14 | sing | 1.53Å | 1.53Å | |
| O14 | C13 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | O17 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | O7 | sing | 1.43Å | 1.47Å | |
| O9 | C6 | sing | 1.43Å | 1.43Å | |
| C11 | C8 | sing | 1.53Å | 1.52Å | |
| C11 | O6 | sing | 1.43Å | 1.47Å | |
| C8 | O11 | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| O22 | P1 | doub | 1.48Å | 1.51Å | |
| C6 | C2 | sing | 1.53Å | 1.52Å | |
| O7 | P1 | sing | 1.61Å | 1.61Å | |
| O10 | C9 | sing | 1.43Å | 1.43Å | |
| C2 | O1 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O6 | P1 | sing | 1.61Å | 1.61Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| P1 | O21 | sing | 1.61Å | 1.51Å | |
| C1 | O4 | sing | 1.43Å | 1.41Å | |
| C1 | C5 | sing | 1.53Å | 1.54Å | |
| C9 | C7 | sing | 1.53Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C7 | O4 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C16 | O12 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C22 | sing | 1.35Å | 1.34Å | |
| C10 | O5 | sing | 1.43Å | 1.45Å | |
| C15 | O8 | sing | 1.43Å | 1.45Å | |
| O5 | P2 | sing | 1.61Å | 1.61Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| O8 | P2 | sing | 1.61Å | 1.61Å | |
| C22 | O24 | doub | 1.21Å | 1.24Å | |
| O23 | P2 | doub | 1.48Å | 1.51Å | |
| P2 | O20 | sing | 1.61Å | 1.50Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O14 | H15 | sing | 0.97Å | 0.95Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.07Å | |
| C20 | H22 | sing | 1.09Å | 1.07Å | |
| O21 | H25 | sing | 0.97Å | 0.95Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| N1 | H28 | sing | 0.97Å | 1.00Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| O3 | H30 | sing | 0.97Å | 0.95Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| O9 | H33 | sing | 0.97Å | 0.95Å | |
| O10 | H34 | sing | 0.97Å | 0.95Å | |
| O11 | H35 | sing | 0.97Å | 0.95Å | |
| O12 | H36 | sing | 0.97Å | 0.95Å | |
| O17 | H37 | sing | 0.97Å | 0.95Å | |
| O20 | H38 | sing | 0.97Å | 0.95Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | C20 | sing | 1.53Å | 71.94Å | |
| C21 | C17 | sing | 1.53Å | 71.61Å | |
| C25 | C21 | sing | 1.53Å | 0.00Å | |
| O13 | C20 | sing | 1.43Å | 71.94Å | |
| O16 | C18 | sing | 1.43Å | 0.00Å | |
| O19 | C17 | sing | 1.43Å | 71.61Å | |
| O26 | C21 | sing | 1.43Å | 0.00Å | |
| C25 | O29 | sing | 1.43Å | 0.00Å | |
| C18 | H20 | sing | 1.09Å | 0.00Å | |
| C18 | H21 | sing | 1.09Å | 0.00Å | |
| C21 | H23 | sing | 1.09Å | 0.00Å | |
| C25 | H24 | sing | 1.09Å | 0.00Å | |
| C25 | H42 | sing | 1.09Å | 0.00Å | |
| O13 | H43 | sing | 0.97Å | 0.00Å | |
| O16 | H44 | sing | 0.97Å | 0.00Å | |
| O19 | H45 | sing | 0.97Å | 0.00Å | |
| O26 | H46 | sing | 0.97Å | 0.00Å | |
| O29 | H47 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C14 | C13 | 114.8° | 109.5° |
| C20 | C14 | O17 | 109.0° | 109.4° |
| C14 | C20 | H22 | 109.5° | 109.4° |
| C20 | C14 | H32 | 107.8° | 109.4° |
| C14 | C20 | C18 | 62.2° | 109.5° |
| C14 | C20 | O13 | 62.2° | 109.4° |
| O14 | C13 | C14 | 109.1° | 109.5° |
| O14 | C13 | C12 | 108.8° | 109.5° |
| C13 | O14 | H15 | 109.5° | 114.0° |
| O14 | C13 | H31 | 109.3° | 109.5° |
| C13 | C14 | O17 | 108.2° | 109.5° |
| C14 | C13 | C12 | 113.3° | 109.4° |
| C14 | C13 | H31 | 108.0° | 109.4° |
| C13 | C14 | H32 | 107.8° | 109.5° |
| O17 | C14 | H32 | 109.2° | 109.5° |
| C14 | O17 | H37 | 109.5° | 114.0° |
| C13 | C12 | O7 | 110.8° | 109.5° |
| C13 | C12 | H13 | 109.1° | 109.5° |
| C13 | C12 | H14 | 109.1° | 109.5° |
| C12 | C13 | H31 | 108.2° | 109.5° |
| C12 | O7 | P1 | 120.4° | 123.0° |
| O7 | C12 | H13 | 109.1° | 109.5° |
| O7 | C12 | H14 | 109.1° | 109.4° |
| O9 | C6 | C2 | 110.3° | 109.5° |
| O9 | C6 | H4 | 109.3° | 109.5° |
| O9 | C6 | H5 | 109.3° | 109.5° |
| C6 | O9 | H33 | 109.5° | 114.0° |
| C8 | C11 | O6 | 109.6° | 109.5° |
| C11 | C8 | O11 | 108.1° | 109.5° |
| C11 | C8 | C7 | 116.4° | 109.5° |
| C11 | C8 | H7 | 109.5° | 109.4° |
| C8 | C11 | H11 | 109.4° | 109.5° |
| C8 | C11 | H12 | 109.4° | 109.5° |
| C11 | O6 | P1 | 121.0° | 123.0° |
| O6 | C11 | H11 | 109.5° | 109.5° |
| O6 | C11 | H12 | 109.5° | 109.4° |
| O11 | C8 | C7 | 102.4° | 109.5° |
| O11 | C8 | H7 | 110.7° | 109.5° |
| C8 | O11 | H35 | 109.5° | 114.0° |
| C8 | C7 | C9 | 113.9° | 109.5° |
| C8 | C7 | O4 | 110.4° | 109.5° |
| C8 | C7 | H6 | 105.1° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| O22 | P1 | O7 | 104.1° | 109.5° |
| O22 | P1 | O6 | 109.5° | 109.4° |
| O22 | P1 | O21 | 122.3° | 109.5° |
| C6 | C2 | O1 | 107.0° | 109.5° |
| C6 | C2 | C3 | 111.5° | 109.5° |
| C6 | C2 | H1 | 108.6° | 109.5° |
| C2 | C6 | H4 | 109.3° | 109.4° |
| C2 | C6 | H5 | 109.3° | 109.5° |
| O7 | P1 | O6 | 108.0° | 109.5° |
| O7 | P1 | O21 | 108.9° | 109.5° |
| O10 | C9 | C7 | 115.6° | 109.5° |
| O10 | C9 | C10 | 103.5° | 109.4° |
| O10 | C9 | H8 | 110.1° | 109.5° |
| C9 | O10 | H34 | 109.5° | 114.0° |
| O1 | C2 | C3 | 111.5° | 109.4° |
| C2 | O1 | C1 | 114.1° | 114.1° |
| O1 | C2 | H1 | 109.6° | 109.5° |
| C2 | C3 | O3 | 109.9° | 109.5° |
| C2 | C3 | C4 | 109.3° | 109.1° |
| C3 | C2 | H1 | 108.5° | 109.5° |
| C2 | C3 | H27 | 108.8° | 109.5° |
| C17 | C16 | O12 | 111.5° | 109.4° |
| C17 | C16 | C15 | 112.0° | 109.5° |
| C17 | C16 | H18 | 107.9° | 109.5° |
| C16 | C17 | H19 | 109.5° | 109.5° |
| C16 | C17 | C21 | 53.6° | 109.5° |
| C16 | C17 | O19 | 53.6° | 109.4° |
| O3 | C3 | C4 | 109.7° | 109.5° |
| O3 | C3 | H27 | 110.2° | 109.6° |
| C3 | O3 | H30 | 109.5° | 113.9° |
| O6 | P1 | O21 | 103.5° | 109.4° |
| O1 | C1 | O4 | 114.3° | 109.5° |
| O1 | C1 | C5 | 109.6° | 109.4° |
| O1 | C1 | H26 | 109.9° | 109.5° |
| P1 | O21 | H25 | 109.5° | 114.0° |
| O4 | C1 | C5 | 104.6° | 109.5° |
| C1 | O4 | C7 | 125.3° | 114.0° |
| O4 | C1 | H26 | 110.0° | 109.5° |
| C1 | C5 | C4 | 113.1° | 109.1° |
| C1 | C5 | N1 | 113.0° | 109.5° |
| C1 | C5 | H3 | 106.7° | 109.5° |
| C5 | C1 | H26 | 108.2° | 109.5° |
| C7 | C9 | C10 | 110.0° | 109.5° |
| C9 | C7 | O4 | 115.8° | 109.5° |
| C9 | C7 | H6 | 104.8° | 109.4° |
| C7 | C9 | H8 | 108.4° | 109.5° |
| C9 | C10 | O5 | 109.6° | 109.5° |
| C10 | C9 | H8 | 109.0° | 109.5° |
| C9 | C10 | H9 | 109.4° | 109.4° |
| C9 | C10 | H10 | 109.4° | 109.5° |
| O4 | C7 | H6 | 105.7° | 109.5° |
| C3 | C4 | C5 | 112.1° | 109.0° |
| C3 | C4 | O2 | 110.9° | 109.5° |
| C3 | C4 | H2 | 108.6° | 109.6° |
| C4 | C3 | H27 | 108.9° | 109.5° |
| C5 | C4 | O2 | 106.8° | 109.5° |
| C4 | C5 | N1 | 108.9° | 109.5° |
| C5 | C4 | H2 | 108.5° | 109.5° |
| C4 | C5 | H3 | 106.9° | 109.5° |
| O2 | C4 | H2 | 110.0° | 109.6° |
| C4 | O2 | H29 | 109.5° | 114.0° |
| O12 | C16 | C15 | 108.0° | 109.5° |
| O12 | C16 | H18 | 109.2° | 109.5° |
| C16 | O12 | H36 | 109.5° | 114.1° |
| C16 | C15 | O8 | 109.7° | 109.5° |
| C16 | C15 | H16 | 109.4° | 109.5° |
| C16 | C15 | H17 | 109.4° | 109.5° |
| C15 | C16 | H18 | 108.2° | 109.5° |
| C5 | N1 | C22 | 122.7° | 120.0° |
| N1 | C5 | H3 | 107.8° | 109.5° |
| C5 | N1 | H28 | 118.7° | 120.0° |
| N1 | C22 | C23 | 115.3° | 120.0° |
| N1 | C22 | O24 | 122.3° | 120.0° |
| C22 | N1 | H28 | 118.7° | 120.0° |
| C10 | O5 | P2 | 117.5° | 123.0° |
| O5 | C10 | H9 | 109.5° | 109.5° |
| O5 | C10 | H10 | 109.4° | 109.5° |
| C15 | O8 | P2 | 119.0° | 123.1° |
| O8 | C15 | H16 | 109.4° | 109.5° |
| O8 | C15 | H17 | 109.4° | 109.4° |
| O5 | P2 | O8 | 104.1° | 109.5° |
| O5 | P2 | O23 | 109.2° | 109.5° |
| O5 | P2 | O20 | 107.0° | 109.5° |
| C23 | C22 | O24 | 122.3° | 120.0° |
| C22 | C23 | H39 | 109.5° | 109.5° |
| C22 | C23 | H40 | 109.5° | 109.5° |
| C22 | C23 | H41 | 109.5° | 109.4° |
| O8 | P2 | O23 | 106.6° | 109.5° |
| O8 | P2 | O20 | 109.6° | 109.4° |
| O23 | P2 | O20 | 119.3° | 109.5° |
| P2 | O20 | H38 | 109.5° | 114.0° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.4° | 109.4° |
| H19 | C17 | C21 | 63.5° | 109.5° |
| H19 | C17 | O19 | 63.5° | 109.5° |
| H22 | C20 | C18 | 118.9° | 109.5° |
| H22 | C20 | O13 | 118.9° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
| H39 | C23 | H41 | 109.5° | 109.5° |
| H40 | C23 | H41 | 109.4° | 109.5° |
| C18 | C20 | O13 | 0.0° | 109.5° |
| C20 | C18 | O16 | 90.0° | 109.5° |
| C20 | C18 | H20 | 90.0° | 109.5° |
| C20 | C18 | H21 | 90.0° | 109.5° |
| C17 | C21 | C25 | 90.0° | 109.5° |
| C21 | C17 | O19 | 0.0° | 109.5° |
| C17 | C21 | O26 | 90.0° | 109.4° |
| C17 | C21 | H23 | 90.0° | 109.5° |
| C25 | C21 | O26 | 90.0° | 109.5° |
| C21 | C25 | O29 | 90.0° | 109.5° |
| C25 | C21 | H23 | 90.0° | 109.5° |
| C21 | C25 | H24 | 90.0° | 109.5° |
| C21 | C25 | H42 | 90.0° | 109.5° |
| C20 | O13 | H43 | 90.0° | 114.0° |
| O16 | C18 | H20 | 90.0° | 109.5° |
| O16 | C18 | H21 | 90.0° | 109.4° |
| C18 | O16 | H44 | 90.0° | 114.0° |
| C17 | O19 | H45 | 90.0° | 114.0° |
| O26 | C21 | H23 | 90.0° | 109.4° |
| C21 | O26 | H46 | 90.0° | 114.0° |
| O29 | C25 | H24 | 90.0° | 109.5° |
| O29 | C25 | H42 | 90.0° | 109.5° |
| C25 | O29 | H47 | 90.0° | 114.0° |
| H20 | C18 | H21 | 90.0° | 109.4° |
| H24 | C25 | H42 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C14 | C13 | O14 | 35.2° | 60.0° |
| C20 | C14 | C13 | O17 | 121.9° | 120.0° |
| C20 | C14 | C13 | H32 | 120.1° | 120.0° |
| C20 | C14 | O17 | H32 | 117.5° | 119.9° |
| C20 | C14 | C13 | C12 | 156.7° | 180.0° |
| C14 | C20 | H22 | C18 | 68.3° | 120.0° |
| C14 | C20 | H22 | O13 | 68.3° | 120.0° |
| C20 | C14 | C13 | H31 | 83.5° | 60.0° |
| C20 | C14 | O17 | H37 | 180.0° | 60.0° |
| C14 | C20 | C18 | O13 | 90.0° | 120.0° |
| C14 | C20 | C18 | O16 | 90.0° | 175.0° |
| C14 | C20 | C18 | H20 | 90.0° | 54.9° |
| C14 | C20 | C18 | H21 | 90.0° | 65.0° |
| C14 | C20 | O13 | H43 | 90.0° | 60.1° |
| O14 | C13 | C14 | C12 | 121.5° | 120.0° |
| O14 | C13 | C14 | H31 | 118.7° | 120.0° |
| O14 | C13 | C14 | O17 | 157.1° | 180.0° |
| O14 | C13 | C12 | H31 | 118.7° | 120.0° |
| O14 | C13 | C12 | O7 | 143.3° | 65.0° |
| O14 | C13 | C12 | H13 | 96.5° | 55.0° |
| O14 | C13 | C12 | H14 | 23.1° | 175.0° |
| O14 | C13 | C14 | H32 | 84.9° | 60.0° |
| C13 | C14 | O17 | H32 | 117.1° | 120.1° |
| C14 | C13 | C12 | H31 | 119.7° | 119.9° |
| C14 | C13 | C12 | O7 | 95.1° | 175.0° |
| C14 | C13 | C12 | H13 | 25.1° | 65.0° |
| C14 | C13 | C12 | H14 | 144.7° | 55.0° |
| C14 | C13 | O14 | H15 | 180.0° | 59.9° |
| C13 | C14 | C20 | H22 | 58.5° | 65.0° |
| C13 | C14 | O17 | H37 | 54.5° | 60.0° |
| C13 | C14 | C20 | C18 | 54.7° | 175.0° |
| C13 | C14 | C20 | O13 | 54.7° | 55.0° |
| O17 | C14 | C13 | C12 | 81.4° | 60.0° |
| O17 | C14 | C20 | H22 | 180.0° | 175.0° |
| O17 | C14 | C13 | H31 | 38.4° | 60.0° |
| O17 | C14 | C20 | C18 | 66.8° | 55.0° |
| O17 | C14 | C20 | O13 | 66.8° | 65.0° |
| C13 | C12 | O7 | H13 | 120.2° | 120.0° |
| C13 | C12 | O7 | H14 | 120.2° | 120.0° |
| C13 | C12 | O7 | P1 | 143.2° | 180.0° |
| C13 | C12 | H13 | H14 | 119.4° | 120.1° |
| C12 | C13 | O14 | H15 | 55.9° | 60.1° |
| C12 | C13 | C14 | H32 | 36.5° | 60.0° |
| C12 | O7 | P1 | O22 | 16.1° | 55.0° |
| C12 | O7 | P1 | O6 | 100.2° | 175.0° |
| C12 | O7 | P1 | O21 | 148.0° | 65.0° |
| O7 | C12 | H13 | H14 | 119.4° | 120.0° |
| O7 | C12 | C13 | H31 | 24.6° | 55.0° |
| O9 | C6 | C2 | H4 | 120.1° | 120.0° |
| O9 | C6 | C2 | H5 | 120.1° | 120.0° |
| O9 | C6 | C2 | O1 | 79.6° | 65.0° |
| O9 | C6 | C2 | C3 | 158.1° | 175.1° |
| O9 | C6 | C2 | H1 | 38.6° | 55.0° |
| O9 | C6 | H4 | H5 | 119.6° | 120.0° |
| C8 | C11 | O6 | H11 | 120.0° | 120.0° |
| C8 | C11 | O6 | H12 | 120.0° | 120.0° |
| C11 | C8 | O11 | C7 | 123.4° | 120.0° |
| C11 | C8 | O11 | H7 | 119.9° | 120.0° |
| C11 | C8 | C7 | H7 | 124.8° | 120.0° |
| C8 | C11 | O6 | P1 | 172.5° | 180.0° |
| C11 | C8 | C7 | C9 | 171.7° | 180.0° |
| C11 | C8 | C7 | O4 | 39.4° | 60.0° |
| C11 | C8 | C7 | H6 | 74.1° | 60.0° |
| C8 | C11 | H11 | H12 | 119.9° | 120.0° |
| C11 | C8 | O11 | H35 | 180.0° | 60.0° |
| O6 | C11 | C8 | O11 | 50.6° | 65.0° |
| O6 | C11 | C8 | C7 | 63.9° | 174.9° |
| C11 | O6 | P1 | O22 | 15.5° | 55.0° |
| C11 | O6 | P1 | O7 | 97.2° | 175.0° |
| C11 | O6 | P1 | O21 | 147.4° | 65.0° |
| O6 | C11 | C8 | H7 | 171.3° | 55.0° |
| O6 | C11 | H11 | H12 | 120.0° | 120.0° |
| O11 | C8 | C7 | H7 | 117.5° | 120.0° |
| O11 | C8 | C7 | C9 | 70.6° | 60.0° |
| O11 | C8 | C7 | O4 | 157.1° | NaN° |
| O11 | C8 | C7 | H6 | 43.6° | 60.0° |
| O11 | C8 | C11 | H11 | 170.7° | 55.0° |
| O11 | C8 | C11 | H12 | 69.4° | 175.0° |
| C8 | C7 | C9 | O10 | 24.5° | 65.5° |
| C8 | C7 | O4 | C1 | 77.0° | 135.6° |
| C8 | C7 | C9 | O4 | 129.7° | 120.0° |
| C8 | C7 | C9 | H6 | 114.4° | 120.0° |
| C8 | C7 | C9 | C10 | 141.2° | 174.5° |
| C8 | C7 | O4 | H6 | 113.2° | 120.0° |
| C8 | C7 | C9 | H8 | 99.7° | 54.5° |
| C7 | C8 | C11 | H11 | 56.1° | 65.0° |
| C7 | C8 | C11 | H12 | 176.0° | 55.0° |
| C7 | C8 | O11 | H35 | 56.5° | 60.0° |
| O22 | P1 | O7 | O6 | 116.3° | 120.0° |
| O22 | P1 | O7 | O21 | 131.9° | 120.0° |
| O22 | P1 | O6 | O21 | 131.9° | 120.0° |
| O22 | P1 | O21 | H25 | 0.0° | 180.0° |
| C6 | C2 | O1 | C3 | 122.2° | 120.0° |
| C6 | C2 | O1 | H1 | 117.6° | 120.1° |
| C6 | C2 | C3 | H1 | 119.6° | 120.1° |
| C6 | C2 | C3 | O3 | 64.4° | 62.6° |
| C6 | C2 | O1 | C1 | 175.8° | 178.9° |
| C6 | C2 | C3 | C4 | 175.2° | 177.6° |
| C2 | C6 | H4 | H5 | 119.6° | 120.0° |
| C6 | C2 | C3 | H27 | 56.3° | 57.7° |
| C2 | C6 | O9 | H33 | 180.0° | 180.0° |
| O7 | P1 | O6 | O21 | 115.4° | 120.0° |
| P1 | O7 | C12 | H13 | 96.6° | 60.0° |
| P1 | O7 | C12 | H14 | 23.0° | 60.0° |
| O7 | P1 | O21 | H25 | 121.4° | 60.0° |
| O10 | C9 | C7 | C10 | 116.8° | 120.0° |
| O10 | C9 | C7 | H8 | 124.1° | 120.0° |
| O10 | C9 | C10 | H8 | 117.1° | 120.0° |
| O10 | C9 | C7 | O4 | 154.2° | 174.4° |
| O10 | C9 | C10 | O5 | 60.9° | 65.9° |
| O10 | C9 | C7 | H6 | 89.9° | 54.5° |
| O10 | C9 | C10 | H9 | 179.0° | 174.1° |
| O10 | C9 | C10 | H10 | 59.1° | 54.1° |
| O1 | C2 | C3 | H1 | 120.8° | 120.0° |
| O1 | C2 | C3 | O3 | 176.0° | 177.5° |
| C2 | O1 | C1 | O4 | 174.6° | 178.9° |
| C2 | O1 | C1 | C5 | 57.6° | 61.1° |
| O1 | C2 | C3 | C4 | 55.6° | 57.7° |
| O1 | C2 | C6 | H4 | 40.5° | 175.0° |
| O1 | C2 | C6 | H5 | 160.2° | 55.0° |
| C2 | O1 | C1 | H26 | 61.2° | 58.8° |
| O1 | C2 | C3 | H27 | 63.3° | 62.3° |
| C2 | C3 | O3 | C4 | 120.2° | 119.6° |
| C2 | C3 | O3 | H27 | 119.9° | 120.2° |
| C3 | C2 | O1 | C1 | 62.0° | 61.2° |
| C2 | C3 | C4 | H27 | 118.8° | 119.9° |
| C2 | C3 | C4 | C5 | 49.8° | 57.0° |
| C2 | C3 | C4 | O2 | 169.1° | 176.9° |
| C2 | C3 | C4 | H2 | 70.0° | 62.9° |
| C3 | C2 | C6 | H4 | 81.8° | 55.1° |
| C3 | C2 | C6 | H5 | 38.0° | 64.9° |
| C2 | C3 | O3 | H30 | 180.0° | 60.0° |
| C17 | C16 | O12 | C15 | 123.5° | 120.0° |
| C17 | C16 | O12 | H18 | 119.1° | 120.0° |
| C17 | C16 | C15 | H18 | 118.8° | 120.0° |
| C17 | C16 | C15 | O8 | 135.8° | 175.0° |
| C17 | C16 | C15 | H16 | 104.2° | 65.0° |
| C17 | C16 | C15 | H17 | 15.7° | 55.0° |
| C16 | C17 | H19 | C21 | 28.4° | 120.0° |
| C16 | C17 | H19 | O19 | 28.4° | 120.0° |
| C17 | C16 | O12 | H36 | 180.0° | 60.0° |
| C16 | C17 | C21 | O19 | 90.0° | 119.9° |
| C16 | C17 | C21 | C25 | 90.0° | 180.0° |
| C16 | C17 | C21 | O26 | 90.0° | 60.0° |
| C16 | C17 | C21 | H23 | 90.0° | 59.9° |
| C16 | C17 | O19 | H45 | 90.0° | 60.0° |
| O3 | C3 | C4 | H27 | 120.7° | 120.2° |
| O3 | C3 | C4 | C5 | 170.4° | 176.9° |
| O3 | C3 | C4 | O2 | 70.3° | 63.3° |
| O3 | C3 | C2 | H1 | 55.2° | 57.5° |
| O3 | C3 | C4 | H2 | 50.6° | 57.0° |
| P1 | O6 | C11 | H11 | 67.4° | 60.0° |
| P1 | O6 | C11 | H12 | 52.5° | 60.0° |
| O6 | P1 | O21 | H25 | 123.9° | 60.1° |
| O1 | C1 | O4 | C5 | 119.9° | 120.0° |
| O1 | C1 | O4 | H26 | 124.1° | 120.0° |
| O1 | C1 | C5 | H26 | 119.8° | 120.0° |
| O1 | C1 | O4 | C7 | 46.7° | 69.2° |
| O1 | C1 | C5 | C4 | 50.7° | 57.6° |
| O1 | C1 | C5 | N1 | 175.0° | 177.5° |
| C1 | O1 | C2 | H1 | 58.2° | 58.8° |
| O1 | C1 | C5 | H3 | 66.6° | 62.3° |
| O4 | C1 | C5 | H26 | 117.2° | 120.0° |
| C1 | O4 | C7 | C9 | 54.4° | 104.4° |
| O4 | C1 | C5 | C4 | 173.6° | 177.6° |
| O4 | C1 | C5 | N1 | 62.0° | 62.5° |
| O4 | C1 | C5 | H3 | 56.3° | 57.6° |
| C1 | O4 | C7 | H6 | 169.8° | 15.5° |
| C5 | C1 | O4 | C7 | 166.6° | 170.9° |
| C1 | C5 | C4 | C3 | 48.6° | 57.0° |
| C1 | C5 | C4 | N1 | 126.6° | 119.9° |
| C1 | C5 | C4 | H3 | 117.2° | 119.9° |
| C1 | C5 | C4 | O2 | 170.3° | 176.8° |
| C1 | C5 | N1 | H3 | 117.7° | 120.2° |
| C1 | C5 | N1 | C22 | 92.1° | 85.3° |
| C1 | C5 | C4 | H2 | 71.2° | 63.0° |
| C1 | C5 | N1 | H28 | 87.9° | 94.7° |
| C7 | C9 | C10 | H8 | 118.7° | 120.0° |
| C9 | C7 | O4 | H6 | 115.4° | 120.0° |
| C7 | C9 | C10 | O5 | 174.9° | 174.1° |
| C9 | C7 | C8 | H7 | 47.0° | 60.0° |
| C7 | C9 | C10 | H9 | 54.9° | 54.1° |
| C7 | C9 | C10 | H10 | 65.0° | 65.9° |
| C7 | C9 | O10 | H34 | 180.0° | 60.0° |
| C10 | C9 | C7 | O4 | 89.1° | 54.5° |
| C9 | C10 | O5 | H9 | 120.0° | 120.0° |
| C9 | C10 | O5 | H10 | 120.0° | 120.0° |
| C9 | C10 | O5 | P2 | 111.4° | 180.0° |
| C10 | C9 | C7 | H6 | 26.9° | 65.5° |
| C9 | C10 | H9 | H10 | 119.9° | 120.0° |
| C10 | C9 | O10 | H34 | 59.7° | 60.0° |
| O4 | C7 | C8 | H7 | 85.4° | 60.0° |
| O4 | C7 | C9 | H8 | 30.0° | 65.5° |
| C7 | O4 | C1 | H26 | 77.4° | 50.9° |
| C3 | C4 | C5 | O2 | 121.7° | 119.8° |
| C3 | C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C4 | O2 | H2 | 120.1° | 120.3° |
| C3 | C4 | C5 | N1 | 175.2° | 176.9° |
| C4 | C3 | C2 | H1 | 65.2° | 62.3° |
| C3 | C4 | C5 | H3 | 68.6° | 62.9° |
| C3 | C4 | O2 | H29 | 180.0° | 60.5° |
| C4 | C3 | O3 | H30 | 59.7° | 179.7° |
| C5 | C4 | O2 | H2 | 117.5° | 120.2° |
| C4 | C5 | N1 | H3 | 115.7° | 120.2° |
| C4 | C5 | N1 | C22 | 141.3° | 155.0° |
| C4 | C5 | C1 | H26 | 69.1° | 62.4° |
| C5 | C4 | C3 | H27 | 69.0° | 62.9° |
| C4 | C5 | N1 | H28 | 38.7° | 25.0° |
| C5 | C4 | O2 | H29 | 57.6° | 180.0° |
| O2 | C4 | C5 | N1 | 63.1° | 63.3° |
| O2 | C4 | C5 | H3 | 53.1° | 56.9° |
| O2 | C4 | C3 | H27 | 50.3° | 56.9° |
| O12 | C16 | C15 | H18 | 118.1° | 120.0° |
| O12 | C16 | C15 | O8 | 101.1° | 65.0° |
| O12 | C16 | C15 | H16 | 19.0° | 55.0° |
| O12 | C16 | C15 | H17 | 138.9° | 175.0° |
| O12 | C16 | C17 | H19 | 60.4° | 60.0° |
| O12 | C16 | C17 | C21 | 92.4° | 60.0° |
| O12 | C16 | C17 | O19 | 92.4° | 180.0° |
| C16 | C15 | O8 | H16 | 120.0° | 120.0° |
| C16 | C15 | O8 | H17 | 120.1° | 120.1° |
| C16 | C15 | O8 | P2 | 161.6° | 180.0° |
| C16 | C15 | H16 | H17 | 119.9° | 120.1° |
| C15 | C16 | C17 | H19 | 60.8° | 60.0° |
| C15 | C16 | O12 | H36 | 56.5° | 60.0° |
| C15 | C16 | C17 | C21 | 28.8° | 180.0° |
| C15 | C16 | C17 | O19 | 28.8° | 60.0° |
| C5 | N1 | C22 | H28 | 180.0° | 180.0° |
| C5 | N1 | C22 | C23 | 161.5° | 180.0° |
| C5 | N1 | C22 | O24 | 16.3° | 0.1° |
| N1 | C5 | C4 | H2 | 55.3° | 56.9° |
| N1 | C5 | C1 | H26 | 55.2° | 57.5° |
| N1 | C22 | C23 | O24 | 177.8° | 179.9° |
| C22 | N1 | C5 | H3 | 25.6° | 34.8° |
| N1 | C22 | C23 | H39 | 177.8° | 60.0° |
| N1 | C22 | C23 | H40 | 62.2° | 180.0° |
| N1 | C22 | C23 | H41 | 57.8° | 60.0° |
| C10 | O5 | P2 | O8 | 164.9° | 175.0° |
| C10 | O5 | P2 | O23 | 51.3° | 55.0° |
| C10 | O5 | P2 | O20 | 79.1° | 65.0° |
| O5 | C10 | C9 | H8 | 56.2° | 54.1° |
| O5 | C10 | H9 | H10 | 119.9° | 120.0° |
| C15 | O8 | P2 | O5 | 126.3° | 175.0° |
| C15 | O8 | P2 | O23 | 10.9° | 54.9° |
| C15 | O8 | P2 | O20 | 119.5° | 65.0° |
| O8 | C15 | H16 | H17 | 119.9° | 119.9° |
| O8 | C15 | C16 | H18 | 17.0° | 55.0° |
| O5 | P2 | O8 | O23 | 115.4° | 120.0° |
| O5 | P2 | O8 | O20 | 114.2° | 120.0° |
| O5 | P2 | O23 | O20 | 123.4° | 120.0° |
| P2 | O5 | C10 | H9 | 8.6° | 60.0° |
| P2 | O5 | C10 | H10 | 128.6° | 60.0° |
| O5 | P2 | O20 | H38 | 124.5° | 60.0° |
| C23 | C22 | N1 | H28 | 18.5° | 0.0° |
| C22 | C23 | H39 | H40 | 120.0° | 120.0° |
| C22 | C23 | H39 | H41 | 120.0° | 120.0° |
| C22 | C23 | H40 | H41 | 120.0° | 120.0° |
| O8 | P2 | O23 | O20 | 124.7° | 120.0° |
| P2 | O8 | C15 | H16 | 78.4° | 60.0° |
| P2 | O8 | C15 | H17 | 41.5° | 59.9° |
| O8 | P2 | O20 | H38 | 123.2° | 60.1° |
| O24 | C22 | N1 | H28 | 163.6° | 180.0° |
| O24 | C22 | C23 | H39 | 0.0° | 120.0° |
| O24 | C22 | C23 | H40 | 120.0° | 0.1° |
| O24 | C22 | C23 | H41 | 120.0° | 120.1° |
| O23 | P2 | O20 | H38 | 0.0° | 180.0° |
| H1 | C2 | C6 | H4 | 158.7° | 65.0° |
| H1 | C2 | C6 | H5 | 81.5° | 175.0° |
| H1 | C2 | C3 | H27 | 175.9° | 177.8° |
| H2 | C4 | C5 | H3 | 171.6° | 177.1° |
| H2 | C4 | C3 | H27 | 171.2° | 177.2° |
| H2 | C4 | O2 | H29 | 59.9° | 59.9° |
| H3 | C5 | C1 | H26 | 173.6° | 177.7° |
| H3 | C5 | N1 | H28 | 154.4° | 145.2° |
| H4 | C6 | O9 | H33 | 59.9° | 60.0° |
| H5 | C6 | O9 | H33 | 59.8° | 60.0° |
| H6 | C7 | C8 | H7 | 161.1° | 180.0° |
| H6 | C7 | C9 | H8 | 146.0° | 174.5° |
| H7 | C8 | C11 | H11 | 68.6° | 175.0° |
| H7 | C8 | C11 | H12 | 51.3° | 65.0° |
| H7 | C8 | O11 | H35 | 60.1° | 179.9° |
| H8 | C9 | C10 | H9 | 63.8° | 65.9° |
| H8 | C9 | C10 | H10 | 176.2° | 174.1° |
| H8 | C9 | O10 | H34 | 56.7° | 180.0° |
| H13 | C12 | C13 | H31 | 144.8° | 175.0° |
| H14 | C12 | C13 | H31 | 95.6° | 64.9° |
| H15 | O14 | C13 | H31 | 62.1° | 179.9° |
| H16 | C15 | C16 | H18 | 137.1° | 175.0° |
| H17 | C15 | C16 | H18 | 103.1° | 65.0° |
| H18 | C16 | C17 | H19 | 179.7° | 180.0° |
| H18 | C16 | O12 | H36 | 60.9° | 180.0° |
| H18 | C16 | C17 | C21 | 147.7° | 60.0° |
| H18 | C16 | C17 | O19 | 147.7° | 60.0° |
| H19 | C17 | C21 | O19 | 90.0° | 120.0° |
| H19 | C17 | C21 | C25 | 90.0° | 60.0° |
| H19 | C17 | C21 | O26 | 90.0° | 60.0° |
| H19 | C17 | C21 | H23 | 90.0° | 179.9° |
| H19 | C17 | O19 | H45 | 90.0° | 180.0° |
| H22 | C20 | C14 | H32 | 61.6° | 55.0° |
| H22 | C20 | C18 | O13 | 90.0° | 120.0° |
| H22 | C20 | C18 | O16 | 90.0° | 55.0° |
| H22 | C20 | C18 | H20 | 90.0° | 65.0° |
| H22 | C20 | C18 | H21 | 90.0° | 175.0° |
| H22 | C20 | O13 | H43 | 90.0° | 180.0° |
| H27 | C3 | O3 | H30 | 60.2° | 60.2° |
| H31 | C13 | C14 | H32 | 156.4° | 180.0° |
| H32 | C14 | O17 | H37 | 62.6° | 179.9° |
| H32 | C14 | C20 | C18 | 174.8° | 64.9° |
| H32 | C14 | C20 | O13 | 174.8° | 175.0° |
| H39 | C23 | H40 | H41 | 120.0° | 120.0° |
| C20 | C18 | O16 | H20 | 90.0° | 120.0° |
| C20 | C18 | O16 | H21 | 90.0° | 120.0° |
| C20 | C18 | H20 | H21 | 90.0° | 120.0° |
| C18 | C20 | O13 | H43 | 90.0° | 60.0° |
| C20 | C18 | O16 | H44 | 90.0° | 180.0° |
| C17 | C21 | C25 | O26 | 90.0° | 120.0° |
| C17 | C21 | C25 | H23 | 90.0° | 120.0° |
| C17 | C21 | O26 | H23 | 90.0° | 120.0° |
| C17 | C21 | C25 | O29 | 90.0° | 175.0° |
| C17 | C21 | C25 | H24 | 90.0° | 55.0° |
| C17 | C21 | C25 | H42 | 90.0° | 64.9° |
| C21 | C17 | O19 | H45 | 90.0° | 60.0° |
| C17 | C21 | O26 | H46 | 90.0° | 60.0° |
| C25 | C21 | C17 | O19 | 90.0° | 60.0° |
| C25 | C21 | O26 | H23 | 90.0° | 120.1° |
| C21 | C25 | O29 | H24 | 90.0° | 120.0° |
| C21 | C25 | O29 | H42 | 90.0° | 120.0° |
| C21 | C25 | H24 | H42 | 90.0° | 120.0° |
| C25 | C21 | O26 | H46 | 90.0° | 60.0° |
| C21 | C25 | O29 | H47 | 90.0° | 180.0° |
| O13 | C20 | C18 | O16 | 90.0° | 65.0° |
| O13 | C20 | C18 | H20 | 90.0° | 175.0° |
| O13 | C20 | C18 | H21 | 90.0° | 55.0° |
| O16 | C18 | H20 | H21 | 90.0° | 119.9° |
| O19 | C17 | C21 | O26 | 90.0° | 180.0° |
| O19 | C17 | C21 | H23 | 90.0° | 60.0° |
| O26 | C21 | C25 | O29 | 90.0° | 65.0° |
| O26 | C21 | C25 | H24 | 90.0° | 175.0° |
| O26 | C21 | C25 | H42 | 90.0° | 55.0° |
| O29 | C25 | C21 | H23 | 90.0° | 55.0° |
| O29 | C25 | H24 | H42 | 90.0° | 120.0° |
| H20 | C18 | O16 | H44 | 90.0° | 60.0° |
| H21 | C18 | O16 | H44 | 90.0° | 59.9° |
| H23 | C21 | C25 | H24 | 90.0° | 65.0° |
| H23 | C21 | C25 | H42 | 90.0° | 175.0° |
| H23 | C21 | O26 | H46 | 90.0° | 179.9° |
| H24 | C25 | O29 | H47 | 90.0° | 60.0° |
| H42 | C25 | O29 | H47 | 90.0° | 59.9° |
