MYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O05 | P01 | doub | 1.48Å | 1.63Å | |
| O04 | P01 | sing | 1.61Å | 1.65Å | |
| P01 | O06 | sing | 1.61Å | 1.49Å | |
| P01 | O03 | sing | 1.61Å | 1.65Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C19 | C17 | sing | 1.53Å | 1.56Å | |
| C20 | O03 | sing | 1.43Å | 1.41Å | |
| C20 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C16 | sing | 1.53Å | 1.59Å | |
| C16 | C15 | sing | 1.51Å | 1.56Å | |
| C16 | O02 | sing | 1.43Å | 1.45Å | |
| O07 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | N02 | sing | 1.35Å | 1.34Å | |
| N02 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.51Å | 1.57Å | |
| C12 | N01 | sing | 1.35Å | 1.35Å | |
| C12 | O08 | doub | 1.21Å | 1.23Å | |
| N01 | C11 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | S01 | sing | 1.81Å | 1.85Å | |
| S01 | C09 | sing | 1.71Å | 1.85Å | |
| C23 | C22 | sing | 1.52Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C09 | O09 | doub | 1.21Å | 1.23Å | |
| C09 | C08 | sing | 1.51Å | 1.55Å | |
| C22 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C21 | sing | 1.55Å | 1.53Å | |
| C08 | C07 | sing | 1.51Å | 1.61Å | |
| C26 | C25 | sing | 1.52Å | 1.55Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C25 | C07 | sing | 1.52Å | 1.59Å | |
| C25 | C27 | sing | 1.53Å | 1.63Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.54Å | 1.54Å | |
| C27 | C04 | sing | 1.52Å | 1.60Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | C04 | sing | 1.52Å | 1.58Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | C03 | sing | 1.55Å | 1.53Å | |
| C29 | C02 | sing | 1.52Å | 1.41Å | |
| C05 | O01 | sing | 1.43Å | 1.45Å | |
| C02 | C03 | sing | 1.52Å | 1.39Å | |
| C02 | C01 | doub | 1.31Å | 1.40Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.10Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.08Å | 1.10Å | |
| C28 | H18 | sing | 1.10Å | 1.10Å | |
| O04 | H19 | sing | 0.97Å | 0.95Å | |
| O06 | H20 | sing | 0.97Å | 0.95Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| O02 | H28 | sing | 0.97Å | 0.95Å | |
| N02 | H29 | sing | 0.97Å | 1.00Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| N01 | H32 | sing | 0.97Å | 1.00Å | |
| C11 | H33 | sing | 1.09Å | 1.10Å | |
| C11 | H34 | sing | 1.09Å | 1.10Å | |
| C07 | H35 | sing | 1.12Å | 1.10Å | |
| C06 | H36 | sing | 1.09Å | 1.10Å | |
| C06 | H37 | sing | 1.08Å | 1.10Å | |
| C05 | H38 | sing | 1.09Å | 1.10Å | |
| O01 | H39 | sing | 0.97Å | 0.95Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.10Å | 1.10Å | |
| C27 | H42 | sing | 1.12Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C30 | H44 | sing | 1.09Å | 1.10Å | |
| C30 | H45 | sing | 1.09Å | 1.10Å | |
| C31 | H46 | sing | 1.08Å | 1.10Å | |
| C31 | H47 | sing | 1.10Å | 1.10Å | |
| C03 | H48 | sing | 1.09Å | 1.10Å | |
| C03 | H49 | sing | 1.09Å | 1.10Å | |
| C01 | H51 | sing | 1.08Å | 1.08Å | |
| C01 | H52 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O05 | P01 | O04 | 105.2° | 109.5° |
| O05 | P01 | O06 | 111.8° | 109.5° |
| O05 | P01 | O03 | 106.3° | 109.5° |
| O04 | P01 | O06 | 112.1° | 109.5° |
| O04 | P01 | O03 | 108.8° | 109.4° |
| P01 | O04 | H19 | 109.5° | 114.0° |
| O06 | P01 | O03 | 112.3° | 109.5° |
| P01 | O06 | H20 | 109.5° | 113.9° |
| P01 | O03 | C20 | 121.0° | 123.0° |
| C18 | C17 | C19 | 107.1° | 109.5° |
| C18 | C17 | C20 | 105.8° | 109.5° |
| C18 | C17 | C16 | 110.6° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C19 | C17 | C20 | 113.8° | 109.4° |
| C19 | C17 | C16 | 108.0° | 109.5° |
| C17 | C19 | H24 | 109.5° | 109.4° |
| C17 | C19 | H25 | 109.5° | 109.5° |
| C17 | C19 | H26 | 109.5° | 109.5° |
| O03 | C20 | C17 | 110.4° | 109.5° |
| O03 | C20 | H5 | 109.2° | 109.4° |
| O03 | C20 | H6 | 109.2° | 109.5° |
| C20 | C17 | C16 | 111.5° | 109.5° |
| C17 | C20 | H5 | 109.2° | 109.5° |
| C17 | C20 | H6 | 109.3° | 109.5° |
| C17 | C16 | C15 | 111.0° | 109.5° |
| C17 | C16 | O02 | 113.9° | 109.5° |
| C17 | C16 | H27 | 106.5° | 109.5° |
| C15 | C16 | O02 | 110.2° | 109.5° |
| C16 | C15 | O07 | 120.9° | 120.0° |
| C16 | C15 | N02 | 114.8° | 120.0° |
| C15 | C16 | H27 | 106.8° | 109.5° |
| O02 | C16 | H27 | 108.1° | 109.5° |
| C16 | O02 | H28 | 109.5° | 114.0° |
| O07 | C15 | N02 | 124.3° | 120.1° |
| C15 | N02 | C14 | 124.7° | 120.0° |
| C15 | N02 | H29 | 117.7° | 120.1° |
| N02 | C14 | C13 | 102.9° | 109.5° |
| C14 | N02 | H29 | 117.7° | 120.0° |
| N02 | C14 | H30 | 111.1° | 109.5° |
| N02 | C14 | H31 | 111.1° | 109.5° |
| C14 | C13 | C12 | 107.7° | 109.5° |
| C14 | C13 | H3 | 109.9° | 109.4° |
| C14 | C13 | H4 | 109.9° | 109.5° |
| C13 | C14 | H30 | 111.1° | 109.5° |
| C13 | C14 | H31 | 111.1° | 109.4° |
| C13 | C12 | N01 | 116.7° | 120.0° |
| C13 | C12 | O08 | 120.7° | 120.0° |
| C12 | C13 | H3 | 109.9° | 109.4° |
| C12 | C13 | H4 | 109.9° | 109.5° |
| N01 | C12 | O08 | 122.6° | 120.0° |
| C12 | N01 | C11 | 122.1° | 120.0° |
| C12 | N01 | H32 | 118.9° | 120.0° |
| N01 | C11 | C10 | 106.5° | 109.4° |
| C11 | N01 | H32 | 118.9° | 120.0° |
| N01 | C11 | H33 | 110.2° | 109.5° |
| N01 | C11 | H34 | 110.2° | 109.5° |
| C11 | C10 | S01 | 109.2° | 109.5° |
| C11 | C10 | H1 | 109.6° | 109.4° |
| C11 | C10 | H2 | 109.5° | 109.5° |
| C10 | C11 | H33 | 110.2° | 109.5° |
| C10 | C11 | H34 | 110.2° | 109.4° |
| C10 | S01 | C09 | 102.0° | 100.0° |
| S01 | C10 | H1 | 109.5° | 109.5° |
| S01 | C10 | H2 | 109.5° | 109.5° |
| S01 | C09 | O09 | 123.1° | 120.0° |
| S01 | C09 | C08 | 117.6° | 120.0° |
| C22 | C23 | C24 | 110.9° | 110.2° |
| C23 | C22 | C08 | 110.9° | 112.5° |
| C23 | C22 | H10 | 109.1° | 109.1° |
| C23 | C22 | H11 | 109.1° | 109.3° |
| C22 | C23 | H40 | 109.1° | 110.8° |
| C22 | C23 | H41 | 109.1° | 108.6° |
| C23 | C24 | C25 | 111.7° | 109.4° |
| C23 | C24 | H12 | 108.9° | 109.8° |
| C23 | C24 | H13 | 108.9° | 109.7° |
| C24 | C23 | H40 | 109.1° | 111.4° |
| C24 | C23 | H41 | 109.1° | 108.3° |
| O09 | C09 | C08 | 119.3° | 120.0° |
| C09 | C08 | C22 | 113.2° | 110.0° |
| C09 | C08 | C21 | 106.6° | 106.8° |
| C09 | C08 | C07 | 113.7° | 112.9° |
| C22 | C08 | C21 | 106.1° | 106.2° |
| C22 | C08 | C07 | 107.2° | 112.4° |
| C08 | C22 | H10 | 109.1° | 108.8° |
| C08 | C22 | H11 | 109.1° | 109.0° |
| C21 | C08 | C07 | 109.8° | 108.0° |
| C08 | C21 | H7 | 109.5° | 109.4° |
| C08 | C21 | H8 | 109.5° | 109.4° |
| C08 | C21 | H9 | 109.5° | 109.5° |
| C08 | C07 | C25 | 115.6° | 115.8° |
| C08 | C07 | C06 | 115.1° | 113.0° |
| C08 | C07 | H35 | 104.4° | 106.4° |
| C26 | C25 | C24 | 108.9° | 108.4° |
| C26 | C25 | C07 | 114.7° | 112.4° |
| C26 | C25 | C27 | 112.5° | 110.7° |
| C25 | C26 | H14 | 109.5° | 109.5° |
| C25 | C26 | H15 | 109.5° | 109.5° |
| C25 | C26 | H16 | 109.4° | 109.5° |
| C24 | C25 | C07 | 107.3° | 108.6° |
| C24 | C25 | C27 | 107.1° | 108.2° |
| C25 | C24 | H12 | 108.9° | 109.2° |
| C25 | C24 | H13 | 108.9° | 109.0° |
| C07 | C25 | C27 | 105.9° | 108.4° |
| C25 | C07 | C06 | 110.8° | 109.6° |
| C25 | C07 | H35 | 104.6° | 105.7° |
| C25 | C27 | C28 | 113.8° | 112.0° |
| C25 | C27 | C04 | 115.2° | 114.3° |
| C25 | C27 | H42 | 105.4° | 105.9° |
| C07 | C06 | C05 | 110.3° | 108.0° |
| C06 | C07 | H35 | 105.0° | 105.6° |
| C07 | C06 | H36 | 109.3° | 110.3° |
| C07 | C06 | H37 | 109.2° | 111.6° |
| C06 | C05 | C04 | 112.9° | 110.5° |
| C06 | C05 | O01 | 110.0° | 109.1° |
| C05 | C06 | H36 | 109.3° | 108.4° |
| C05 | C06 | H37 | 109.3° | 109.6° |
| C06 | C05 | H38 | 107.8° | 108.8° |
| C27 | C28 | C29 | 104.1° | 109.4° |
| C28 | C27 | C04 | 109.9° | 111.4° |
| C27 | C28 | H17 | 110.8° | 112.2° |
| C27 | C28 | H18 | 110.8° | 108.7° |
| C28 | C27 | H42 | 106.2° | 106.1° |
| C28 | C29 | C30 | 109.2° | 108.0° |
| C28 | C29 | C02 | 109.3° | 107.8° |
| C29 | C28 | H17 | 110.8° | 109.8° |
| C29 | C28 | H18 | 110.8° | 108.3° |
| C28 | C29 | H43 | 108.2° | 110.9° |
| C27 | C04 | C31 | 112.1° | 113.1° |
| C27 | C04 | C05 | 111.2° | 111.8° |
| C27 | C04 | C03 | 110.2° | 107.0° |
| C04 | C27 | H42 | 105.5° | 106.4° |
| C30 | C31 | C04 | 106.2° | 110.9° |
| C31 | C30 | C29 | 109.5° | 109.5° |
| C31 | C30 | H44 | 109.5° | 109.8° |
| C31 | C30 | H45 | 109.5° | 109.4° |
| C30 | C31 | H46 | 110.3° | 110.9° |
| C30 | C31 | H47 | 110.3° | 107.6° |
| C31 | C04 | C05 | 112.0° | 110.1° |
| C31 | C04 | C03 | 104.5° | 106.9° |
| C04 | C31 | H46 | 110.3° | 111.7° |
| C04 | C31 | H47 | 110.3° | 108.1° |
| C30 | C29 | C02 | 111.7° | 107.6° |
| C30 | C29 | H43 | 108.4° | 111.2° |
| C29 | C30 | H44 | 109.5° | 109.6° |
| C29 | C30 | H45 | 109.4° | 109.3° |
| C05 | C04 | C03 | 106.5° | 107.7° |
| C04 | C05 | O01 | 109.4° | 109.8° |
| C04 | C05 | H38 | 107.5° | 109.3° |
| C04 | C03 | C02 | 104.2° | 105.5° |
| C04 | C03 | H48 | 110.8° | 109.5° |
| C04 | C03 | H49 | 110.8° | 109.6° |
| C29 | C02 | C03 | 117.4° | 115.5° |
| C29 | C02 | C01 | 122.5° | 122.3° |
| C02 | C29 | H43 | 109.9° | 111.1° |
| O01 | C05 | H38 | 109.0° | 109.2° |
| C05 | O01 | H39 | 109.5° | 114.0° |
| C03 | C02 | C01 | 119.8° | 122.2° |
| C02 | C03 | H48 | 110.8° | 110.5° |
| C02 | C03 | H49 | 110.8° | 110.6° |
| C02 | C01 | H51 | 120.0° | 120.0° |
| C02 | C01 | H52 | 120.0° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.4° | 109.5° |
| H7 | C21 | H9 | 109.5° | 109.5° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 107.9° |
| H12 | C24 | H13 | 109.4° | 109.6° |
| H14 | C26 | H15 | 109.5° | 109.4° |
| H14 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 108.5° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H21 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.5° |
| H24 | C19 | H26 | 109.4° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.5° | 109.5° |
| H33 | C11 | H34 | 109.4° | 109.5° |
| H36 | C06 | H37 | 109.5° | 109.0° |
| H40 | C23 | H41 | 109.5° | 107.4° |
| H44 | C30 | H45 | 109.5° | 109.3° |
| H46 | C31 | H47 | 109.5° | 107.4° |
| H48 | C03 | H49 | 109.4° | 110.9° |
| H51 | C01 | H52 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O05 | P01 | O04 | O06 | 121.7° | 120.0° |
| O05 | P01 | O04 | O03 | 113.5° | 120.0° |
| O05 | P01 | O06 | O03 | 119.4° | 120.0° |
| O05 | P01 | O03 | C20 | 94.9° | 55.0° |
| O05 | P01 | O04 | H19 | 0.0° | 180.0° |
| O05 | P01 | O06 | H20 | 0.0° | 60.0° |
| O04 | P01 | O06 | O03 | 122.8° | 119.9° |
| O04 | P01 | O03 | C20 | 17.9° | 65.0° |
| O04 | P01 | O06 | H20 | 117.8° | 60.0° |
| O06 | P01 | O03 | C20 | 142.5° | 175.0° |
| O06 | P01 | O04 | H19 | 121.8° | 60.0° |
| P01 | O03 | C20 | C17 | 129.3° | 180.0° |
| P01 | O03 | C20 | H5 | 110.6° | 60.0° |
| P01 | O03 | C20 | H6 | 9.1° | 60.0° |
| O03 | P01 | O04 | H19 | 113.5° | 60.0° |
| O03 | P01 | O06 | H20 | 119.4° | 180.0° |
| C18 | C17 | C19 | C20 | 116.5° | 120.0° |
| C18 | C17 | C19 | C16 | 119.2° | 120.0° |
| C18 | C17 | C20 | O03 | 151.7° | 60.0° |
| C18 | C17 | C20 | C16 | 120.3° | 120.0° |
| C18 | C17 | C16 | C15 | 35.1° | 65.6° |
| C18 | C17 | C16 | O02 | 90.0° | 174.4° |
| C18 | C17 | C20 | H5 | 88.1° | 60.0° |
| C18 | C17 | C20 | H6 | 31.6° | 180.0° |
| C17 | C18 | H21 | H22 | 120.0° | 120.0° |
| C17 | C18 | H21 | H23 | 120.0° | 120.0° |
| C17 | C18 | H22 | H23 | 120.0° | 120.0° |
| C18 | C17 | C19 | H24 | 180.0° | 56.7° |
| C18 | C17 | C19 | H25 | 60.0° | 63.3° |
| C18 | C17 | C19 | H26 | 60.0° | 176.6° |
| C18 | C17 | C16 | H27 | 151.0° | 54.4° |
| C19 | C17 | C20 | O03 | 34.5° | 60.0° |
| C19 | C17 | C20 | C16 | 122.4° | 120.0° |
| C19 | C17 | C16 | C15 | 81.8° | 174.3° |
| C19 | C17 | C16 | O02 | 153.1° | 54.3° |
| C19 | C17 | C20 | H5 | 154.6° | 180.0° |
| C19 | C17 | C20 | H6 | 85.6° | 60.0° |
| C19 | C17 | C18 | H21 | 180.0° | 171.8° |
| C19 | C17 | C18 | H22 | 60.0° | 51.9° |
| C19 | C17 | C18 | H23 | 60.0° | 68.2° |
| C17 | C19 | H24 | H25 | 120.0° | 120.0° |
| C17 | C19 | H24 | H26 | 120.0° | 119.9° |
| C17 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C17 | C16 | H27 | 34.1° | 65.7° |
| O03 | C20 | C17 | H5 | 120.1° | 120.0° |
| O03 | C20 | C17 | H6 | 120.1° | 120.0° |
| O03 | C20 | C17 | C16 | 87.9° | 180.0° |
| O03 | C20 | H5 | H6 | 119.5° | 120.0° |
| C20 | C17 | C16 | C15 | 152.5° | 54.4° |
| C20 | C17 | C16 | O02 | 27.4° | 65.6° |
| C17 | C20 | H5 | H6 | 119.6° | 120.0° |
| C20 | C17 | C18 | H21 | 58.4° | 51.8° |
| C20 | C17 | C18 | H22 | 61.6° | 68.1° |
| C20 | C17 | C18 | H23 | 178.4° | 171.8° |
| C20 | C17 | C19 | H24 | 63.5° | 176.7° |
| C20 | C17 | C19 | H25 | 176.5° | 56.7° |
| C20 | C17 | C19 | H26 | 56.5° | 63.4° |
| C20 | C17 | C16 | H27 | 91.6° | 174.4° |
| C17 | C16 | C15 | O02 | 127.1° | 120.0° |
| C17 | C16 | C15 | H27 | 115.7° | 120.0° |
| C17 | C16 | O02 | H27 | 118.1° | 120.0° |
| C17 | C16 | C15 | O07 | 81.6° | 106.7° |
| C17 | C16 | C15 | N02 | 95.9° | 73.3° |
| C16 | C17 | C20 | H5 | 32.2° | 60.0° |
| C16 | C17 | C20 | H6 | 151.9° | 60.0° |
| C16 | C17 | C18 | H21 | 62.6° | 68.1° |
| C16 | C17 | C18 | H22 | 177.5° | 171.9° |
| C16 | C17 | C18 | H23 | 57.5° | 51.9° |
| C16 | C17 | C19 | H24 | 60.8° | 63.3° |
| C16 | C17 | C19 | H25 | 59.2° | 176.7° |
| C16 | C17 | C19 | H26 | 179.2° | 56.6° |
| C17 | C16 | O02 | H28 | 180.0° | 60.0° |
| C15 | C16 | O02 | H27 | 116.4° | 120.0° |
| C16 | C15 | O07 | N02 | 177.3° | 179.9° |
| C16 | C15 | N02 | C14 | 179.7° | 175.2° |
| C15 | C16 | O02 | H28 | 54.5° | 60.0° |
| C16 | C15 | N02 | H29 | 0.3° | 4.8° |
| O02 | C16 | C15 | O07 | 151.2° | 13.4° |
| O02 | C16 | C15 | N02 | 31.3° | 166.7° |
| O07 | C15 | N02 | C14 | 2.3° | 4.8° |
| O07 | C15 | C16 | H27 | 34.1° | 133.3° |
| O07 | C15 | N02 | H29 | 177.7° | 175.2° |
| C15 | N02 | C14 | H29 | 180.0° | 180.0° |
| C15 | N02 | C14 | C13 | 117.6° | 179.9° |
| N02 | C15 | C16 | H27 | 148.4° | 46.7° |
| C15 | N02 | C14 | H30 | 123.4° | 60.0° |
| C15 | N02 | C14 | H31 | 1.3° | 60.0° |
| N02 | C14 | C13 | H30 | 119.0° | 120.1° |
| N02 | C14 | C13 | H31 | 119.0° | 120.0° |
| N02 | C14 | C13 | C12 | 73.7° | 180.0° |
| N02 | C14 | C13 | H3 | 46.0° | 60.0° |
| N02 | C14 | C13 | H4 | 166.6° | 59.9° |
| N02 | C14 | H30 | H31 | 123.0° | 120.0° |
| C14 | C13 | C12 | H3 | 119.7° | 119.9° |
| C14 | C13 | C12 | H4 | 119.7° | 120.1° |
| C14 | C13 | C12 | N01 | 69.0° | 180.0° |
| C14 | C13 | C12 | O08 | 109.7° | 0.1° |
| C14 | C13 | H3 | H4 | 120.8° | 120.0° |
| C13 | C14 | N02 | H29 | 62.4° | 0.0° |
| C13 | C14 | H30 | H31 | 123.0° | 120.0° |
| C13 | C12 | N01 | O08 | 178.6° | 179.9° |
| C13 | C12 | N01 | C11 | 175.8° | 180.0° |
| C12 | C13 | H3 | H4 | 120.8° | 120.0° |
| C12 | C13 | C14 | H30 | 167.3° | 59.9° |
| C12 | C13 | C14 | H31 | 45.2° | 60.1° |
| C13 | C12 | N01 | H32 | 4.1° | 0.1° |
| C12 | N01 | C11 | H32 | 180.0° | 180.0° |
| C12 | N01 | C11 | C10 | 177.5° | 180.0° |
| N01 | C12 | C13 | H3 | 171.3° | 60.1° |
| N01 | C12 | C13 | H4 | 50.8° | 59.9° |
| C12 | N01 | C11 | H33 | 57.9° | 60.0° |
| C12 | N01 | C11 | H34 | 63.0° | 60.0° |
| O08 | C12 | N01 | C11 | 5.6° | 0.1° |
| O08 | C12 | C13 | H3 | 10.0° | 120.0° |
| O08 | C12 | C13 | H4 | 130.6° | 120.0° |
| O08 | C12 | N01 | H32 | 174.5° | 180.0° |
| N01 | C11 | C10 | H33 | 119.6° | 120.1° |
| N01 | C11 | C10 | H34 | 119.6° | 120.0° |
| N01 | C11 | C10 | S01 | 75.0° | 180.0° |
| N01 | C11 | C10 | H1 | 44.9° | 60.0° |
| N01 | C11 | C10 | H2 | 165.0° | 59.9° |
| N01 | C11 | H33 | H34 | 121.4° | 120.0° |
| C11 | C10 | S01 | H1 | 120.0° | 119.9° |
| C11 | C10 | S01 | H2 | 120.0° | 120.1° |
| C11 | C10 | S01 | C09 | 74.4° | 180.0° |
| C11 | C10 | H1 | H2 | 120.2° | 120.0° |
| C10 | C11 | N01 | H32 | 2.5° | 0.1° |
| C10 | C11 | H33 | H34 | 121.3° | 120.0° |
| C10 | S01 | C09 | O09 | 12.9° | 0.0° |
| C10 | S01 | C09 | C08 | 168.8° | 180.0° |
| S01 | C10 | H1 | H2 | 120.1° | 120.0° |
| S01 | C10 | C11 | H33 | 165.4° | 59.9° |
| S01 | C10 | C11 | H34 | 44.5° | 60.0° |
| S01 | C09 | O09 | C08 | 178.3° | 180.0° |
| S01 | C09 | C08 | C22 | 11.6° | 60.0° |
| S01 | C09 | C08 | C21 | 104.6° | 54.9° |
| S01 | C09 | C08 | C07 | 134.2° | 173.5° |
| C09 | S01 | C10 | H1 | 165.6° | 60.0° |
| C09 | S01 | C10 | H2 | 45.5° | 60.0° |
| C22 | C23 | C24 | H40 | 120.2° | 123.4° |
| C22 | C23 | C24 | H41 | 120.2° | 118.6° |
| C23 | C22 | C08 | C09 | 71.2° | 80.0° |
| C23 | C22 | C08 | H10 | 120.2° | 121.1° |
| C23 | C22 | C08 | H11 | 120.2° | 121.5° |
| C23 | C22 | C08 | C21 | 172.3° | 164.8° |
| C23 | C22 | C08 | C07 | 54.9° | 46.8° |
| C22 | C23 | C24 | C25 | 63.4° | 62.6° |
| C23 | C22 | H10 | H11 | 119.4° | 118.7° |
| C22 | C23 | C24 | H12 | 176.3° | 177.5° |
| C22 | C23 | C24 | H13 | 57.0° | 56.9° |
| C22 | C23 | H40 | H41 | 119.3° | 118.5° |
| C24 | C23 | C22 | C08 | 62.8° | 55.8° |
| C23 | C24 | C25 | C26 | 68.7° | 62.8° |
| C23 | C24 | C25 | H12 | 120.3° | 120.3° |
| C23 | C24 | C25 | H13 | 120.3° | 120.0° |
| C23 | C24 | C25 | C07 | 56.0° | 59.6° |
| C23 | C24 | C25 | C27 | 169.4° | 177.1° |
| C24 | C23 | C22 | H10 | 57.4° | 176.7° |
| C24 | C23 | C22 | H11 | 177.0° | 65.5° |
| C23 | C24 | H12 | H13 | 119.0° | 120.6° |
| C24 | C23 | H40 | H41 | 119.4° | 118.4° |
| O09 | C09 | C08 | C22 | 170.0° | 120.0° |
| O09 | C09 | C08 | C21 | 73.7° | 125.1° |
| O09 | C09 | C08 | C07 | 47.4° | 6.5° |
| C09 | C08 | C22 | C21 | 116.6° | 115.3° |
| C09 | C08 | C22 | C07 | 126.1° | 126.8° |
| C09 | C08 | C21 | C07 | 123.6° | 121.8° |
| C09 | C08 | C07 | C25 | 73.4° | 78.7° |
| C09 | C08 | C07 | C06 | 57.8° | 48.8° |
| C09 | C08 | C21 | H7 | 180.0° | 57.3° |
| C09 | C08 | C21 | H8 | 60.0° | 62.6° |
| C09 | C08 | C21 | H9 | 60.0° | 177.3° |
| C09 | C08 | C22 | H10 | 168.6° | 41.1° |
| C09 | C08 | C22 | H11 | 49.1° | 158.6° |
| C09 | C08 | C07 | H35 | 172.3° | 164.2° |
| C22 | C08 | C21 | C07 | 115.5° | 120.9° |
| C22 | C08 | C07 | C25 | 52.4° | 46.4° |
| C22 | C08 | C07 | C06 | 176.4° | 174.0° |
| C22 | C08 | C21 | H7 | 59.1° | 60.1° |
| C22 | C08 | C21 | H8 | 60.9° | 180.0° |
| C22 | C08 | C21 | H9 | 179.1° | 60.0° |
| C08 | C22 | H10 | H11 | 119.4° | 118.2° |
| C22 | C08 | C07 | H35 | 61.9° | 70.6° |
| C08 | C22 | C23 | H40 | 57.4° | 68.0° |
| C08 | C22 | C23 | H41 | 177.0° | 174.3° |
| C21 | C08 | C07 | C25 | 167.2° | 163.3° |
| C21 | C08 | C07 | C06 | 61.6° | 69.1° |
| C08 | C21 | H7 | H8 | 120.0° | 119.9° |
| C08 | C21 | H7 | H9 | 120.0° | 120.1° |
| C08 | C21 | H8 | H9 | 120.0° | 120.1° |
| C21 | C08 | C22 | H10 | 52.1° | 74.1° |
| C21 | C08 | C22 | H11 | 67.5° | 43.3° |
| C21 | C08 | C07 | H35 | 53.0° | 46.3° |
| C08 | C07 | C25 | C26 | 68.6° | 67.4° |
| C08 | C07 | C25 | C24 | 52.4° | 52.6° |
| C08 | C07 | C25 | C06 | 133.2° | 129.2° |
| C08 | C07 | C25 | H35 | 114.1° | 117.4° |
| C08 | C07 | C25 | C27 | 166.6° | 169.9° |
| C08 | C07 | C06 | H35 | 114.2° | 115.9° |
| C08 | C07 | C06 | C05 | 160.8° | 163.7° |
| C07 | C08 | C21 | H7 | 56.4° | 179.1° |
| C07 | C08 | C21 | H8 | 176.4° | 59.1° |
| C07 | C08 | C21 | H9 | 63.6° | 60.9° |
| C07 | C08 | C22 | H10 | 65.2° | 167.9° |
| C07 | C08 | C22 | H11 | 175.2° | 74.7° |
| C08 | C07 | C06 | H36 | 40.7° | 45.4° |
| C08 | C07 | C06 | H37 | 79.0° | 75.9° |
| C26 | C25 | C24 | C07 | 124.7° | 122.4° |
| C26 | C25 | C24 | C27 | 121.9° | 120.1° |
| C26 | C25 | C07 | C27 | 124.7° | 122.7° |
| C26 | C25 | C07 | C06 | 64.6° | 61.9° |
| C26 | C25 | C27 | C28 | 53.8° | 57.4° |
| C26 | C25 | C27 | C04 | 74.4° | 70.6° |
| C26 | C25 | C24 | H12 | 51.6° | 57.5° |
| C26 | C25 | C24 | H13 | 170.9° | 177.2° |
| C25 | C26 | H14 | H15 | 120.0° | 120.0° |
| C25 | C26 | H14 | H16 | 120.0° | 120.0° |
| C25 | C26 | H15 | H16 | 119.9° | 120.0° |
| C26 | C25 | C07 | H35 | 177.2° | 175.2° |
| C26 | C25 | C27 | H42 | 169.8° | 172.6° |
| C24 | C25 | C07 | C27 | 114.2° | 117.3° |
| C24 | C25 | C07 | C06 | 174.4° | 178.2° |
| C24 | C25 | C27 | C28 | 65.8° | 61.3° |
| C24 | C25 | C27 | C04 | 166.0° | 170.7° |
| C25 | C24 | H12 | H13 | 119.0° | 119.3° |
| C24 | C25 | C26 | H14 | 180.0° | 69.4° |
| C24 | C25 | C26 | H15 | 60.0° | 170.6° |
| C24 | C25 | C26 | H16 | 60.0° | 50.6° |
| C24 | C25 | C07 | H35 | 61.7° | 64.8° |
| C25 | C24 | C23 | H40 | 56.9° | 60.8° |
| C25 | C24 | C23 | H41 | 176.4° | 178.7° |
| C24 | C25 | C27 | H42 | 50.2° | 53.9° |
| C25 | C07 | C06 | H35 | 112.3° | 113.4° |
| C25 | C07 | C06 | C05 | 65.7° | 65.6° |
| C07 | C25 | C27 | C28 | 179.9° | 179.0° |
| C07 | C25 | C27 | C04 | 51.7° | 53.1° |
| C07 | C25 | C24 | H12 | 176.3° | 179.9° |
| C07 | C25 | C24 | H13 | 64.4° | 60.4° |
| C07 | C25 | C26 | H14 | 59.8° | 170.6° |
| C07 | C25 | C26 | H15 | 60.3° | 50.6° |
| C07 | C25 | C26 | H16 | 179.8° | 69.4° |
| C25 | C07 | C06 | H36 | 174.2° | 176.2° |
| C25 | C07 | C06 | H37 | 54.4° | 54.9° |
| C07 | C25 | C27 | H42 | 64.2° | 63.7° |
| C27 | C25 | C07 | C06 | 60.1° | 60.8° |
| C25 | C27 | C28 | C04 | 130.9° | 129.5° |
| C25 | C27 | C28 | H42 | 115.4° | 115.1° |
| C25 | C27 | C28 | C29 | 144.5° | 133.2° |
| C25 | C27 | C04 | H42 | 115.8° | 116.5° |
| C25 | C27 | C04 | C31 | 79.6° | 75.4° |
| C25 | C27 | C04 | C05 | 46.7° | 49.5° |
| C25 | C27 | C04 | C03 | 164.6° | 167.2° |
| C27 | C25 | C24 | H12 | 70.3° | 62.7° |
| C27 | C25 | C24 | H13 | 49.0° | 57.1° |
| C27 | C25 | C26 | H14 | 61.4° | 49.2° |
| C27 | C25 | C26 | H15 | 178.6° | 70.8° |
| C27 | C25 | C26 | H16 | 58.6° | 169.2° |
| C25 | C27 | C28 | H17 | 25.4° | 11.2° |
| C25 | C27 | C28 | H18 | 96.4° | 108.8° |
| C27 | C25 | C07 | H35 | 52.5° | 52.5° |
| C07 | C06 | C05 | H36 | 120.1° | 119.5° |
| C07 | C06 | C05 | H37 | 120.1° | 121.7° |
| C07 | C06 | C05 | C04 | 58.4° | 60.4° |
| C07 | C06 | C05 | O01 | 179.0° | 178.7° |
| C07 | C06 | H36 | H37 | 119.6° | 122.8° |
| C07 | C06 | C05 | H38 | 60.3° | 59.6° |
| C06 | C05 | C04 | C27 | 48.3° | 52.4° |
| C06 | C05 | C04 | C31 | 78.0° | 74.1° |
| C06 | C05 | C04 | O01 | 122.9° | 120.4° |
| C06 | C05 | C04 | H38 | 118.9° | 119.8° |
| C06 | C05 | C04 | C03 | 168.4° | 169.7° |
| C06 | C05 | O01 | H38 | 118.0° | 118.8° |
| C05 | C06 | C07 | H35 | 46.6° | 47.8° |
| C05 | C06 | H36 | H37 | 119.6° | 119.2° |
| C06 | C05 | O01 | H39 | 180.0° | 60.0° |
| C27 | C28 | C29 | H17 | 119.1° | 123.5° |
| C27 | C28 | C29 | H18 | 119.1° | 118.3° |
| C28 | C27 | C04 | H42 | 114.1° | 115.3° |
| C28 | C27 | C04 | C31 | 50.5° | 52.8° |
| C27 | C28 | C29 | C30 | 73.3° | 61.7° |
| C28 | C27 | C04 | C05 | 176.8° | 177.8° |
| C28 | C27 | C04 | C03 | 65.3° | 64.5° |
| C27 | C28 | C29 | C02 | 49.1° | 54.3° |
| C27 | C28 | H17 | H18 | 122.5° | 120.1° |
| C27 | C28 | C29 | H43 | 168.8° | 176.2° |
| C29 | C28 | C27 | C04 | 13.6° | 3.7° |
| C28 | C29 | C30 | C31 | 65.3° | 64.4° |
| C28 | C29 | C30 | C02 | 121.0° | 116.2° |
| C28 | C29 | C30 | H43 | 117.7° | 121.9° |
| C28 | C29 | C02 | H43 | 118.7° | 121.7° |
| C28 | C29 | C02 | C03 | 77.2° | 56.6° |
| C28 | C29 | C02 | C01 | 97.2° | 123.4° |
| C29 | C28 | H17 | H18 | 122.5° | 118.1° |
| C29 | C28 | C27 | H42 | 100.1° | 111.7° |
| C28 | C29 | C30 | H44 | 174.7° | 56.1° |
| C28 | C29 | C30 | H45 | 54.8° | 175.8° |
| C27 | C04 | C31 | C30 | 59.1° | 50.1° |
| C27 | C04 | C31 | C05 | 125.9° | 125.9° |
| C27 | C04 | C31 | C03 | 119.3° | 117.4° |
| C27 | C04 | C05 | C03 | 120.1° | 117.2° |
| C27 | C04 | C05 | O01 | 171.2° | 172.9° |
| C27 | C04 | C03 | C02 | 45.2° | 62.0° |
| C04 | C27 | C28 | H17 | 105.5° | 118.3° |
| C04 | C27 | C28 | H18 | 132.8° | 121.7° |
| C27 | C04 | C05 | H38 | 70.5° | 67.3° |
| C27 | C04 | C31 | H46 | 60.3° | 74.2° |
| C27 | C04 | C31 | H47 | 178.6° | 167.9° |
| C27 | C04 | C03 | H48 | 73.9° | 57.0° |
| C27 | C04 | C03 | H49 | 164.4° | 178.9° |
| C30 | C31 | C04 | H46 | 119.5° | 124.3° |
| C30 | C31 | C04 | H47 | 119.5° | 117.7° |
| C31 | C30 | C29 | H44 | 120.0° | 120.5° |
| C31 | C30 | C29 | H45 | 120.0° | 119.8° |
| C30 | C31 | C04 | C05 | 175.0° | 176.0° |
| C30 | C31 | C04 | C03 | 60.1° | 67.3° |
| C31 | C30 | C29 | C02 | 55.7° | 51.8° |
| C31 | C30 | C29 | H43 | 177.0° | 173.7° |
| C31 | C30 | H44 | H45 | 120.0° | 120.0° |
| C30 | C31 | H46 | H47 | 121.5° | 117.3° |
| C04 | C31 | C30 | C29 | 2.5° | 8.3° |
| C31 | C04 | C05 | C03 | 113.6° | 116.2° |
| C31 | C04 | C05 | O01 | 44.9° | 46.3° |
| C31 | C04 | C03 | C02 | 75.3° | 59.4° |
| C31 | C04 | C05 | H38 | 163.2° | 166.1° |
| C31 | C04 | C27 | H42 | 164.7° | 168.1° |
| C04 | C31 | C30 | H44 | 117.5° | 112.1° |
| C04 | C31 | C30 | H45 | 122.4° | 128.0° |
| C04 | C31 | H46 | H47 | 121.5° | 118.3° |
| C31 | C04 | C03 | H48 | 165.6° | 178.4° |
| C31 | C04 | C03 | H49 | 43.9° | 59.7° |
| C30 | C29 | C02 | H43 | 120.4° | 122.0° |
| C30 | C29 | C02 | C03 | 43.7° | 59.7° |
| C30 | C29 | C02 | C01 | 141.9° | 120.2° |
| C30 | C29 | C28 | H17 | 45.8° | 61.8° |
| C30 | C29 | C28 | H18 | 167.5° | 180.0° |
| C29 | C30 | H44 | H45 | 119.9° | 119.7° |
| C29 | C30 | C31 | H46 | 117.0° | 133.1° |
| C29 | C30 | C31 | H47 | 121.9° | 109.7° |
| C04 | C05 | O01 | H38 | 117.3° | 119.9° |
| C05 | C04 | C03 | C02 | 166.0° | 177.7° |
| C04 | C05 | C06 | H36 | 178.6° | 179.9° |
| C04 | C05 | C06 | H37 | 61.7° | 61.3° |
| C04 | C05 | O01 | H39 | 55.4° | 178.7° |
| C05 | C04 | C27 | H42 | 69.0° | 67.0° |
| C05 | C04 | C31 | H46 | 65.5° | 51.7° |
| C05 | C04 | C31 | H47 | 55.5° | 66.3° |
| C05 | C04 | C03 | H48 | 46.8° | 63.3° |
| C05 | C04 | C03 | H49 | 74.8° | 58.6° |
| C04 | C03 | C02 | C29 | 21.5° | 2.4° |
| C03 | C04 | C05 | O01 | 68.7° | 69.9° |
| C04 | C03 | C02 | H48 | 119.2° | 118.3° |
| C04 | C03 | C02 | H49 | 119.2° | 118.4° |
| C04 | C03 | C02 | C01 | 153.0° | 177.5° |
| C03 | C04 | C05 | H38 | 49.5° | 49.9° |
| C03 | C04 | C27 | H42 | 48.8° | 50.7° |
| C03 | C04 | C31 | H46 | 179.6° | 168.4° |
| C03 | C04 | C31 | H47 | 59.4° | 50.5° |
| C04 | C03 | H48 | H49 | 122.4° | 121.1° |
| C29 | C02 | C03 | C01 | 174.5° | 179.9° |
| C02 | C29 | C28 | H17 | 168.2° | 177.8° |
| C02 | C29 | C28 | H18 | 70.1° | 63.9° |
| C02 | C29 | C30 | H44 | 64.3° | 172.3° |
| C02 | C29 | C30 | H45 | 175.7° | 68.0° |
| C29 | C02 | C03 | H48 | 140.7° | 115.9° |
| C29 | C02 | C03 | H49 | 97.6° | 120.8° |
| C29 | C02 | C01 | H51 | 174.2° | 0.0° |
| C29 | C02 | C01 | H52 | 5.8° | 180.0° |
| O01 | C05 | C06 | H36 | 58.9° | 59.2° |
| O01 | C05 | C06 | H37 | 60.9° | 59.6° |
| C03 | C02 | C29 | H43 | 164.2° | 178.4° |
| C02 | C03 | H48 | H49 | 122.5° | 123.1° |
| C03 | C02 | C01 | H51 | 0.0° | 179.9° |
| C03 | C02 | C01 | H52 | 180.0° | 0.1° |
| C01 | C02 | C29 | H43 | 21.5° | 1.7° |
| C01 | C02 | C03 | H48 | 33.8° | 64.1° |
| C01 | C02 | C03 | H49 | 87.9° | 59.1° |
| C02 | C01 | H51 | H52 | 180.0° | 180.0° |
| H1 | C10 | C11 | H33 | 74.7° | 60.0° |
| H1 | C10 | C11 | H34 | 164.5° | 180.0° |
| H2 | C10 | C11 | H33 | 45.4° | 180.0° |
| H2 | C10 | C11 | H34 | 75.4° | 60.0° |
| H3 | C13 | C14 | H30 | 73.0° | 60.0° |
| H3 | C13 | C14 | H31 | 165.0° | 180.0° |
| H4 | C13 | C14 | H30 | 47.6° | 180.0° |
| H4 | C13 | C14 | H31 | 74.5° | 60.0° |
| H7 | C21 | H8 | H9 | 120.0° | 120.0° |
| H10 | C22 | C23 | H40 | 177.6° | 52.9° |
| H10 | C22 | C23 | H41 | 62.8° | 64.9° |
| H11 | C22 | C23 | H40 | 62.8° | 170.7° |
| H11 | C22 | C23 | H41 | 56.7° | 52.9° |
| H12 | C24 | C23 | H40 | 63.5° | 59.1° |
| H12 | C24 | C23 | H41 | 56.1° | 58.9° |
| H13 | C24 | C23 | H40 | 177.2° | 179.6° |
| H13 | C24 | C23 | H41 | 63.2° | 61.7° |
| H14 | C26 | H15 | H16 | 120.0° | 120.0° |
| H17 | C28 | C27 | H42 | 140.8° | 126.3° |
| H17 | C28 | C29 | H43 | 72.1° | 60.3° |
| H18 | C28 | C27 | H42 | 19.1° | 6.4° |
| H18 | C28 | C29 | H43 | 49.7° | 57.9° |
| H21 | C18 | H22 | H23 | 120.0° | 120.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H27 | C16 | O02 | H28 | 61.9° | 180.0° |
| H29 | N02 | C14 | H30 | 56.6° | 120.0° |
| H29 | N02 | C14 | H31 | 178.7° | 120.0° |
| H32 | N01 | C11 | H33 | 122.1° | 120.0° |
| H32 | N01 | C11 | H34 | 117.0° | 120.0° |
| H35 | C07 | C06 | H36 | 73.5° | 70.4° |
| H35 | C07 | C06 | H37 | 166.8° | 168.3° |
| H36 | C06 | C05 | H38 | 59.9° | 59.9° |
| H37 | C06 | C05 | H38 | 179.6° | 178.7° |
| H38 | C05 | O01 | H39 | 62.0° | 58.9° |
| H43 | C29 | C30 | H44 | 57.0° | 65.8° |
| H43 | C29 | C30 | H45 | 63.0° | 53.9° |
| H44 | C30 | C31 | H46 | 123.0° | 12.7° |
| H44 | C30 | C31 | H47 | 1.9° | 129.9° |
| H45 | C30 | C31 | H46 | 3.0° | 107.2° |
| H45 | C30 | C31 | H47 | 118.1° | 10.0° |
