SBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C38 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C36 | C35 | sing | 1.53Å | 1.55Å | |
| C35 | C34 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.56Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C11 | O11 | doub | 1.21Å | 1.21Å | |
| C11 | O3 | sing | 1.34Å | 1.38Å | |
| O3 | C3 | sing | 1.45Å | 1.43Å | |
| C31 | O2 | sing | 1.34Å | 1.38Å | |
| C31 | O31 | doub | 1.21Å | 1.21Å | |
| O2 | C2 | sing | 1.45Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.58Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | O3P | sing | 1.43Å | 1.38Å | |
| C6 | N1 | sing | 1.47Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| O3P | P | sing | 1.61Å | 1.66Å | |
| O5 | C4 | sing | 1.43Å | 1.36Å | |
| O5 | P | sing | 1.61Å | 1.78Å | |
| N1 | C7 | sing | 1.47Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.52Å | |
| P | O1 | doub | 1.48Å | 1.49Å | |
| P | O4 | sing | 1.61Å | 1.49Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H41 | sing | 1.09Å | 1.10Å | |
| C40 | H42 | sing | 1.09Å | 1.10Å | |
| C40 | H43 | sing | 1.09Å | 1.10Å | |
| O4 | H44 | sing | 0.97Å | 0.95Å | |
| C4 | H45 | sing | 1.09Å | 1.10Å | |
| C4 | H46 | sing | 1.09Å | 1.10Å | |
| C5 | H47 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.09Å | 1.10Å | |
| C6 | H49 | sing | 1.09Å | 1.10Å | |
| C6 | H50 | sing | 1.09Å | 1.10Å | |
| C6 | H51 | sing | 1.09Å | 1.10Å | |
| C7 | H52 | sing | 1.09Å | 1.10Å | |
| C7 | H53 | sing | 1.09Å | 1.10Å | |
| C7 | H54 | sing | 1.09Å | 1.10Å | |
| C8 | H55 | sing | 1.09Å | 1.10Å | |
| C8 | H56 | sing | 1.09Å | 1.10Å | |
| C8 | H57 | sing | 1.09Å | 1.10Å | |
| C14 | H58 | sing | 1.09Å | 1.10Å | |
| C15 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 114.5° | 109.5° |
| C22 | C21 | H17 | 108.2° | 109.5° |
| C22 | C21 | H18 | 108.2° | 109.5° |
| C21 | C22 | H19 | 109.5° | 109.4° |
| C21 | C22 | H20 | 109.5° | 109.4° |
| C21 | C22 | H21 | 109.5° | 109.5° |
| C21 | C20 | C19 | 112.9° | 109.5° |
| C21 | C20 | H15 | 108.6° | 109.4° |
| C21 | C20 | H16 | 108.6° | 109.5° |
| C20 | C21 | H17 | 108.2° | 109.4° |
| C20 | C21 | H18 | 108.2° | 109.5° |
| C20 | C19 | C18 | 115.7° | 109.5° |
| C20 | C19 | H13 | 107.9° | 109.5° |
| C20 | C19 | H14 | 107.9° | 109.5° |
| C19 | C20 | H15 | 108.6° | 109.5° |
| C19 | C20 | H16 | 108.6° | 109.5° |
| C40 | C39 | C38 | 112.8° | 109.5° |
| C40 | C39 | H39 | 108.7° | 109.5° |
| C40 | C39 | H40 | 108.7° | 109.5° |
| C39 | C40 | H41 | 109.5° | 109.5° |
| C39 | C40 | H42 | 109.5° | 109.4° |
| C39 | C40 | H43 | 109.5° | 109.5° |
| C19 | C18 | C17 | 114.5° | 109.5° |
| C19 | C18 | H11 | 108.2° | 109.5° |
| C19 | C18 | H12 | 108.2° | 109.4° |
| C18 | C19 | H13 | 107.9° | 109.5° |
| C18 | C19 | H14 | 107.9° | 109.4° |
| C18 | C17 | C16 | 116.6° | 109.5° |
| C18 | C17 | H9 | 107.6° | 109.5° |
| C18 | C17 | H10 | 107.6° | 109.5° |
| C17 | C18 | H11 | 108.2° | 109.5° |
| C17 | C18 | H12 | 108.2° | 109.5° |
| C39 | C38 | C37 | 114.4° | 109.5° |
| C39 | C38 | H37 | 108.2° | 109.5° |
| C39 | C38 | H38 | 108.2° | 109.5° |
| C38 | C39 | H39 | 108.6° | 109.5° |
| C38 | C39 | H40 | 108.6° | 109.4° |
| C17 | C16 | C15 | 114.9° | 109.5° |
| C17 | C16 | H7 | 108.1° | 109.4° |
| C17 | C16 | H8 | 108.1° | 109.5° |
| C16 | C17 | H9 | 107.7° | 109.4° |
| C16 | C17 | H10 | 107.6° | 109.5° |
| C16 | C15 | C14 | 116.6° | 109.5° |
| C16 | C15 | H6 | 107.7° | 109.5° |
| C15 | C16 | H7 | 108.1° | 109.5° |
| C15 | C16 | H8 | 108.1° | 109.5° |
| C16 | C15 | H59 | 107.6° | 109.5° |
| C38 | C37 | C36 | 113.2° | 109.5° |
| C38 | C37 | H35 | 108.5° | 109.4° |
| C38 | C37 | H36 | 108.6° | 109.4° |
| C37 | C38 | H37 | 108.2° | 109.4° |
| C37 | C38 | H38 | 108.3° | 109.4° |
| C37 | C36 | C35 | 115.8° | 109.5° |
| C37 | C36 | H33 | 107.9° | 109.5° |
| C37 | C36 | H34 | 107.8° | 109.5° |
| C36 | C37 | H35 | 108.5° | 109.5° |
| C36 | C37 | H36 | 108.5° | 109.5° |
| C15 | C14 | C13 | 115.6° | 109.5° |
| C15 | C14 | H5 | 107.9° | 109.4° |
| C14 | C15 | H6 | 107.6° | 109.4° |
| C15 | C14 | H58 | 107.9° | 109.5° |
| C14 | C15 | H59 | 107.7° | 109.5° |
| C14 | C13 | C12 | 115.1° | 109.5° |
| C14 | C13 | H3 | 108.0° | 109.4° |
| C14 | C13 | H4 | 108.0° | 109.5° |
| C13 | C14 | H5 | 107.9° | 109.5° |
| C13 | C14 | H58 | 107.9° | 109.5° |
| C36 | C35 | C34 | 116.0° | 109.5° |
| C36 | C35 | H32 | 107.8° | 109.5° |
| C35 | C36 | H33 | 107.9° | 109.5° |
| C35 | C36 | H34 | 107.9° | 109.5° |
| C36 | C35 | H61 | 107.8° | 109.5° |
| C35 | C34 | C33 | 115.8° | 109.5° |
| C35 | C34 | H31 | 107.9° | 109.5° |
| C34 | C35 | H32 | 107.8° | 109.5° |
| C35 | C34 | H60 | 107.9° | 109.5° |
| C34 | C35 | H61 | 107.8° | 109.5° |
| C13 | C12 | C11 | 114.3° | 109.5° |
| C13 | C12 | H1 | 108.2° | 109.4° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C12 | C13 | H3 | 108.1° | 109.4° |
| C12 | C13 | H4 | 108.0° | 109.5° |
| C12 | C11 | O11 | 123.6° | 120.0° |
| C12 | C11 | O3 | 117.0° | 120.0° |
| C11 | C12 | H1 | 108.3° | 109.5° |
| C11 | C12 | H2 | 108.2° | 109.5° |
| C34 | C33 | C32 | 117.2° | 109.5° |
| C34 | C33 | H29 | 107.5° | 109.5° |
| C34 | C33 | H30 | 107.5° | 109.5° |
| C33 | C34 | H31 | 107.8° | 109.5° |
| C33 | C34 | H60 | 107.9° | 109.5° |
| C33 | C32 | C31 | 112.9° | 109.5° |
| C33 | C32 | H27 | 108.6° | 109.5° |
| C33 | C32 | H28 | 108.6° | 109.4° |
| C32 | C33 | H29 | 107.5° | 109.5° |
| C32 | C33 | H30 | 107.5° | 109.4° |
| C32 | C31 | O2 | 119.3° | 120.0° |
| C32 | C31 | O31 | 121.6° | 120.0° |
| C31 | C32 | H27 | 108.6° | 109.5° |
| C31 | C32 | H28 | 108.6° | 109.5° |
| O11 | C11 | O3 | 119.4° | 120.0° |
| C11 | O3 | C3 | 119.3° | 117.0° |
| O3 | C3 | C2 | 111.3° | 109.5° |
| O3 | C3 | H22 | 109.0° | 109.5° |
| O3 | C3 | H23 | 109.0° | 109.5° |
| O2 | C31 | O31 | 119.1° | 120.0° |
| C31 | O2 | C2 | 122.0° | 117.0° |
| O2 | C2 | C3 | 108.8° | 109.5° |
| O2 | C2 | C1 | 107.8° | 109.5° |
| O2 | C2 | H24 | 111.2° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.5° |
| C2 | C3 | H22 | 109.0° | 109.5° |
| C2 | C3 | H23 | 109.0° | 109.5° |
| C3 | C2 | H24 | 109.3° | 109.5° |
| C2 | C1 | O3P | 108.9° | 109.4° |
| C1 | C2 | H24 | 109.7° | 109.4° |
| C2 | C1 | H25 | 109.6° | 109.5° |
| C2 | C1 | H26 | 109.6° | 109.5° |
| C1 | O3P | P | 121.2° | 123.0° |
| O3P | C1 | H25 | 109.6° | 109.5° |
| O3P | C1 | H26 | 109.6° | 109.4° |
| C6 | N1 | C5 | 109.0° | 109.5° |
| C6 | N1 | C7 | 108.5° | 109.5° |
| C6 | N1 | C8 | 108.6° | 109.5° |
| N1 | C6 | H49 | 109.5° | 109.5° |
| N1 | C6 | H50 | 109.5° | 109.5° |
| N1 | C6 | H51 | 109.5° | 109.5° |
| N1 | C5 | C4 | 110.9° | 109.4° |
| C5 | N1 | C7 | 111.3° | 109.5° |
| C5 | N1 | C8 | 109.9° | 109.4° |
| N1 | C5 | H47 | 109.1° | 109.5° |
| N1 | C5 | H48 | 109.1° | 109.5° |
| C5 | C4 | O5 | 106.1° | 109.5° |
| C5 | C4 | H45 | 110.3° | 109.5° |
| C5 | C4 | H46 | 110.3° | 109.5° |
| C4 | C5 | H47 | 109.1° | 109.4° |
| C4 | C5 | H48 | 109.1° | 109.4° |
| O3P | P | O5 | 105.8° | 109.5° |
| O3P | P | O1 | 109.9° | 109.5° |
| O3P | P | O4 | 109.8° | 109.5° |
| C4 | O5 | P | 115.9° | 123.0° |
| O5 | C4 | H45 | 110.3° | 109.5° |
| O5 | C4 | H46 | 110.3° | 109.5° |
| O5 | P | O1 | 100.6° | 109.5° |
| O5 | P | O4 | 100.1° | 109.5° |
| C7 | N1 | C8 | 109.5° | 109.5° |
| N1 | C7 | H52 | 109.5° | 109.4° |
| N1 | C7 | H53 | 109.4° | 109.5° |
| N1 | C7 | H54 | 109.5° | 109.4° |
| N1 | C8 | H55 | 109.5° | 109.5° |
| N1 | C8 | H56 | 109.5° | 109.4° |
| N1 | C8 | H57 | 109.5° | 109.5° |
| O1 | P | O4 | 127.5° | 109.4° |
| P | O4 | H44 | 109.5° | 114.0° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C14 | H58 | 109.5° | 109.4° |
| H6 | C15 | H59 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.4° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C3 | H23 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.4° | 109.5° |
| H31 | C34 | H60 | 109.5° | 109.5° |
| H32 | C35 | H61 | 109.4° | 109.5° |
| H33 | C36 | H34 | 109.4° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.4° |
| H37 | C38 | H38 | 109.5° | 109.4° |
| H39 | C39 | H40 | 109.4° | 109.5° |
| H41 | C40 | H42 | 109.4° | 109.4° |
| H41 | C40 | H43 | 109.5° | 109.5° |
| H42 | C40 | H43 | 109.4° | 109.5° |
| H45 | C4 | H46 | 109.5° | 109.4° |
| H47 | C5 | H48 | 109.5° | 109.5° |
| H49 | C6 | H50 | 109.5° | 109.5° |
| H49 | C6 | H51 | 109.5° | 109.4° |
| H50 | C6 | H51 | 109.5° | 109.5° |
| H52 | C7 | H53 | 109.5° | 109.5° |
| H52 | C7 | H54 | 109.4° | 109.5° |
| H53 | C7 | H54 | 109.5° | 109.5° |
| H55 | C8 | H56 | 109.5° | 109.4° |
| H55 | C8 | H57 | 109.5° | 109.5° |
| H56 | C8 | H57 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H17 | 120.7° | 120.0° |
| C22 | C21 | C20 | H18 | 120.7° | 120.1° |
| C22 | C21 | C20 | C19 | 143.0° | 180.0° |
| C22 | C21 | C20 | H15 | 22.5° | 60.1° |
| C22 | C21 | C20 | H16 | 96.5° | 60.0° |
| C22 | C21 | H17 | H18 | 117.7° | 120.1° |
| C21 | C22 | H19 | H20 | 120.0° | 119.9° |
| C21 | C22 | H19 | H21 | 120.0° | 120.0° |
| C21 | C22 | H20 | H21 | 120.0° | 120.0° |
| C21 | C20 | C19 | H15 | 120.5° | 120.0° |
| C21 | C20 | C19 | H16 | 120.5° | 120.0° |
| C21 | C20 | C19 | C18 | 154.3° | 180.0° |
| C21 | C20 | C19 | H13 | 33.4° | 60.0° |
| C21 | C20 | C19 | H14 | 84.8° | 60.0° |
| C21 | C20 | H15 | H16 | 118.4° | 120.0° |
| C20 | C21 | H17 | H18 | 117.7° | 120.0° |
| C20 | C21 | C22 | H19 | 180.0° | 180.0° |
| C20 | C21 | C22 | H20 | 60.0° | 60.1° |
| C20 | C21 | C22 | H21 | 60.0° | 60.0° |
| C20 | C19 | C18 | H13 | 120.9° | 120.0° |
| C20 | C19 | C18 | H14 | 120.9° | 120.0° |
| C20 | C19 | C18 | C17 | 145.4° | 180.0° |
| C20 | C19 | C18 | H11 | 93.9° | 60.0° |
| C20 | C19 | C18 | H12 | 24.7° | 60.0° |
| C20 | C19 | H13 | H14 | 117.2° | 120.0° |
| C19 | C20 | H15 | H16 | 118.5° | 120.0° |
| C19 | C20 | C21 | H17 | 96.2° | 60.0° |
| C19 | C20 | C21 | H18 | 22.3° | 60.0° |
| C40 | C39 | C38 | H39 | 120.5° | 120.0° |
| C40 | C39 | C38 | H40 | 120.5° | 120.0° |
| C40 | C39 | C38 | C37 | 177.8° | 180.0° |
| C40 | C39 | C38 | H37 | 61.5° | 60.0° |
| C40 | C39 | C38 | H38 | 57.1° | 60.0° |
| C40 | C39 | H39 | H40 | 118.5° | 120.0° |
| C39 | C40 | H41 | H42 | 120.0° | 120.0° |
| C39 | C40 | H41 | H43 | 120.0° | 120.0° |
| C39 | C40 | H42 | H43 | 120.0° | 120.0° |
| C19 | C18 | C17 | H11 | 120.7° | 120.0° |
| C19 | C18 | C17 | H12 | 120.7° | 120.0° |
| C19 | C18 | C17 | C16 | 135.7° | 180.0° |
| C19 | C18 | C17 | H9 | 103.3° | 60.0° |
| C19 | C18 | C17 | H10 | 14.7° | 60.0° |
| C19 | C18 | H11 | H12 | 117.7° | 120.0° |
| C18 | C19 | H13 | H14 | 117.2° | 120.0° |
| C18 | C19 | C20 | H15 | 85.2° | 60.0° |
| C18 | C19 | C20 | H16 | 33.8° | 60.1° |
| C18 | C17 | C16 | H9 | 121.0° | 120.0° |
| C18 | C17 | C16 | H10 | 121.0° | 120.1° |
| C18 | C17 | C16 | C15 | 143.8° | NaN° |
| C18 | C17 | C16 | H7 | 23.0° | 60.0° |
| C18 | C17 | C16 | H8 | 95.4° | 59.9° |
| C18 | C17 | H9 | H10 | 116.7° | 120.1° |
| C17 | C18 | H11 | H12 | 117.7° | 120.0° |
| C17 | C18 | C19 | H13 | 24.5° | 60.0° |
| C17 | C18 | C19 | H14 | 93.7° | 60.0° |
| C39 | C38 | C37 | H37 | 120.7° | 120.1° |
| C39 | C38 | C37 | H38 | 120.7° | 120.0° |
| C39 | C38 | C37 | C36 | 171.1° | 180.0° |
| C39 | C38 | C37 | H35 | 50.6° | 59.9° |
| C39 | C38 | C37 | H36 | 68.3° | 60.0° |
| C39 | C38 | H37 | H38 | 117.7° | 120.0° |
| C38 | C39 | H39 | H40 | 118.5° | 120.0° |
| C38 | C39 | C40 | H41 | 180.0° | 60.0° |
| C38 | C39 | C40 | H42 | 60.0° | 60.0° |
| C38 | C39 | C40 | H43 | 60.0° | 180.0° |
| C17 | C16 | C15 | H7 | 120.8° | 119.9° |
| C17 | C16 | C15 | H8 | 120.8° | 120.0° |
| C17 | C16 | C15 | C14 | 151.0° | NaN° |
| C17 | C16 | C15 | H6 | 29.9° | 60.1° |
| C17 | C16 | H7 | H8 | 117.5° | 120.0° |
| C16 | C17 | H9 | H10 | 116.8° | 120.0° |
| C16 | C17 | C18 | H11 | 14.9° | 60.1° |
| C16 | C17 | C18 | H12 | 103.6° | 60.0° |
| C17 | C16 | C15 | H59 | 88.0° | 60.0° |
| C16 | C15 | C14 | H6 | 121.1° | 120.0° |
| C16 | C15 | C14 | H59 | 121.0° | 120.0° |
| C16 | C15 | C14 | C13 | 167.6° | 180.0° |
| C16 | C15 | C14 | H5 | 46.7° | 60.0° |
| C16 | C15 | H6 | H59 | 116.7° | 120.1° |
| C15 | C16 | H7 | H8 | 117.5° | 120.1° |
| C15 | C16 | C17 | H9 | 95.2° | 60.0° |
| C15 | C16 | C17 | H10 | 22.8° | 59.9° |
| C16 | C15 | C14 | H58 | 71.5° | 59.9° |
| C38 | C37 | C36 | H35 | 120.5° | 120.0° |
| C38 | C37 | C36 | H36 | 120.6° | 120.0° |
| C38 | C37 | C36 | C35 | 147.8° | 180.0° |
| C38 | C37 | C36 | H33 | 26.9° | 60.0° |
| C38 | C37 | C36 | H34 | 91.2° | 60.0° |
| C38 | C37 | H35 | H36 | 118.3° | 119.9° |
| C37 | C38 | H37 | H38 | 117.8° | 119.9° |
| C37 | C38 | C39 | H39 | 57.3° | 60.0° |
| C37 | C38 | C39 | H40 | 61.7° | 60.0° |
| C37 | C36 | C35 | H33 | 120.9° | 120.0° |
| C37 | C36 | C35 | H34 | 120.9° | 120.0° |
| C37 | C36 | C35 | C34 | 154.5° | 180.0° |
| C37 | C36 | C35 | H32 | 84.5° | 60.0° |
| C37 | C36 | H33 | H34 | 117.1° | 120.0° |
| C36 | C37 | H35 | H36 | 118.3° | 120.1° |
| C36 | C37 | C38 | H37 | 68.2° | 59.9° |
| C36 | C37 | C38 | H38 | 50.4° | 60.0° |
| C37 | C36 | C35 | H61 | 33.6° | 60.0° |
| C15 | C14 | C13 | H5 | 120.9° | 120.0° |
| C15 | C14 | C13 | H58 | 120.9° | 120.1° |
| C15 | C14 | C13 | C12 | 173.4° | 180.0° |
| C15 | C14 | C13 | H3 | 65.8° | 60.1° |
| C15 | C14 | C13 | H4 | 52.5° | 59.9° |
| C15 | C14 | H5 | H58 | 117.2° | 120.0° |
| C14 | C15 | H6 | H59 | 116.7° | 120.0° |
| C14 | C15 | C16 | H7 | 88.2° | 60.1° |
| C14 | C15 | C16 | H8 | 30.2° | 60.0° |
| C14 | C13 | C12 | H3 | 120.8° | 119.9° |
| C14 | C13 | C12 | H4 | 120.8° | 120.0° |
| C14 | C13 | C12 | C11 | 179.0° | 180.0° |
| C14 | C13 | C12 | H1 | 58.2° | 60.0° |
| C14 | C13 | C12 | H2 | 60.3° | 59.9° |
| C14 | C13 | H3 | H4 | 117.4° | 120.0° |
| C13 | C14 | H5 | H58 | 117.2° | 120.0° |
| C13 | C14 | C15 | H6 | 71.3° | 60.0° |
| C13 | C14 | C15 | H59 | 46.6° | 60.0° |
| C36 | C35 | C34 | H32 | 121.0° | 120.0° |
| C36 | C35 | C34 | H61 | 120.9° | 120.0° |
| C36 | C35 | C34 | C33 | 0.0° | 180.0° |
| C36 | C35 | C34 | H31 | 120.9° | 60.0° |
| C36 | C35 | H32 | H61 | 117.0° | 120.0° |
| C35 | C36 | H33 | H34 | 117.1° | 120.0° |
| C35 | C36 | C37 | H35 | 91.6° | 60.0° |
| C35 | C36 | C37 | H36 | 27.2° | 60.0° |
| C36 | C35 | C34 | H60 | 120.9° | 60.0° |
| C35 | C34 | C33 | H31 | 120.9° | 120.0° |
| C35 | C34 | C33 | H60 | 120.9° | 120.0° |
| C35 | C34 | C33 | C32 | 122.8° | 180.0° |
| C35 | C34 | C33 | H29 | 1.6° | 60.0° |
| C35 | C34 | C33 | H30 | 116.1° | 60.0° |
| C35 | C34 | H31 | H60 | 117.1° | 120.0° |
| C34 | C35 | H32 | H61 | 117.0° | 120.0° |
| C34 | C35 | C36 | H33 | 33.6° | 60.0° |
| C34 | C35 | C36 | H34 | 84.6° | 60.0° |
| C13 | C12 | C11 | H1 | 120.7° | 120.0° |
| C13 | C12 | C11 | H2 | 120.7° | 120.1° |
| C13 | C12 | C11 | O11 | 42.7° | 0.1° |
| C13 | C12 | C11 | O3 | 137.9° | 179.7° |
| C13 | C12 | H1 | H2 | 117.8° | 120.0° |
| C12 | C13 | H3 | H4 | 117.4° | 120.1° |
| C12 | C13 | C14 | H5 | 52.5° | 60.0° |
| C12 | C13 | C14 | H58 | 65.7° | 59.9° |
| C12 | C11 | O11 | O3 | 179.4° | 179.8° |
| C12 | C11 | O3 | C3 | 165.5° | 179.8° |
| C11 | C12 | H1 | H2 | 117.8° | 120.0° |
| C11 | C12 | C13 | H3 | 60.2° | 60.1° |
| C11 | C12 | C13 | H4 | 58.1° | 60.0° |
| C34 | C33 | C32 | H29 | 121.1° | 120.0° |
| C34 | C33 | C32 | H30 | 121.1° | 120.0° |
| C34 | C33 | C32 | C31 | 144.5° | 180.0° |
| C34 | C33 | C32 | H27 | 24.0° | 60.0° |
| C34 | C33 | C32 | H28 | 94.9° | 60.0° |
| C34 | C33 | H29 | H30 | 116.5° | 120.0° |
| C33 | C34 | H31 | H60 | 117.1° | 120.0° |
| C33 | C34 | C35 | H32 | 120.9° | 60.0° |
| C33 | C34 | C35 | H61 | 121.0° | 60.0° |
| C33 | C32 | C31 | H27 | 120.5° | 120.0° |
| C33 | C32 | C31 | H28 | 120.5° | 120.0° |
| C33 | C32 | C31 | O2 | 134.0° | 180.0° |
| C33 | C32 | C31 | O31 | 46.0° | 0.1° |
| C33 | C32 | H27 | H28 | 118.4° | 120.0° |
| C32 | C33 | H29 | H30 | 116.5° | 120.0° |
| C32 | C33 | C34 | H31 | 116.3° | 60.0° |
| C32 | C33 | C34 | H60 | 1.8° | 60.0° |
| C32 | C31 | O2 | O31 | 180.0° | 179.9° |
| C32 | C31 | O2 | C2 | 135.8° | 180.0° |
| C31 | C32 | H27 | H28 | 118.4° | 120.0° |
| C31 | C32 | C33 | H29 | 94.3° | 60.0° |
| C31 | C32 | C33 | H30 | 23.4° | 60.0° |
| O11 | C11 | O3 | C3 | 14.0° | 0.0° |
| O11 | C11 | C12 | H1 | 163.4° | 120.0° |
| O11 | C11 | C12 | H2 | 78.0° | 120.0° |
| C11 | O3 | C3 | C2 | 140.3° | 180.0° |
| O3 | C11 | C12 | H1 | 17.2° | 59.7° |
| O3 | C11 | C12 | H2 | 101.4° | 60.2° |
| C11 | O3 | C3 | H22 | 20.0° | 60.0° |
| C11 | O3 | C3 | H23 | 99.4° | 60.0° |
| O3 | C3 | C2 | O2 | 22.4° | 65.0° |
| O3 | C3 | C2 | H22 | 120.3° | 120.0° |
| O3 | C3 | C2 | H23 | 120.3° | 120.0° |
| O3 | C3 | C2 | C1 | 95.5° | 55.0° |
| O3 | C3 | H22 | H23 | 119.1° | 120.0° |
| O3 | C3 | C2 | H24 | 144.0° | 175.0° |
| C31 | O2 | C2 | C3 | 145.3° | 150.0° |
| C31 | O2 | C2 | C1 | 95.4° | 90.0° |
| C31 | O2 | C2 | H24 | 24.9° | 29.9° |
| O2 | C31 | C32 | H27 | 105.5° | 60.0° |
| O2 | C31 | C32 | H28 | 13.5° | 60.1° |
| O31 | C31 | O2 | C2 | 44.2° | 0.0° |
| O31 | C31 | C32 | H27 | 74.5° | 120.0° |
| O31 | C31 | C32 | H28 | 166.5° | 120.0° |
| O2 | C2 | C3 | C1 | 117.9° | 120.0° |
| O2 | C2 | C3 | H24 | 121.6° | 120.0° |
| O2 | C2 | C1 | H24 | 121.2° | 120.0° |
| O2 | C2 | C1 | O3P | 169.4° | 65.0° |
| O2 | C2 | C3 | H22 | 97.9° | 55.0° |
| O2 | C2 | C3 | H23 | 142.7° | 175.0° |
| O2 | C2 | C1 | H25 | 70.7° | 55.0° |
| O2 | C2 | C1 | H26 | 49.5° | 175.0° |
| C3 | C2 | C1 | H24 | 120.2° | 120.0° |
| C3 | C2 | C1 | O3P | 72.0° | 55.0° |
| C2 | C3 | H22 | H23 | 119.2° | 120.0° |
| C3 | C2 | C1 | H25 | 47.9° | 175.0° |
| C3 | C2 | C1 | H26 | 168.1° | 64.9° |
| C2 | C1 | O3P | H25 | 119.9° | 120.0° |
| C2 | C1 | O3P | H26 | 119.9° | 119.9° |
| C2 | C1 | O3P | P | 170.0° | 180.0° |
| C1 | C2 | C3 | H22 | 144.2° | 175.0° |
| C1 | C2 | C3 | H23 | 24.8° | 65.0° |
| C2 | C1 | H25 | H26 | 120.3° | 120.0° |
| C1 | O3P | P | O5 | 1.1° | 175.0° |
| C1 | O3P | P | O1 | 106.7° | 55.0° |
| C1 | O3P | P | O4 | 108.3° | 65.0° |
| O3P | C1 | C2 | H24 | 48.2° | 175.0° |
| O3P | C1 | H25 | H26 | 120.2° | 120.0° |
| C6 | N1 | C5 | C7 | 119.6° | 120.0° |
| C6 | N1 | C5 | C8 | 118.9° | 120.0° |
| C6 | N1 | C5 | C4 | 178.0° | 65.5° |
| C6 | N1 | C7 | C8 | 118.4° | 120.0° |
| C6 | N1 | C5 | H47 | 57.7° | 174.5° |
| C6 | N1 | C5 | H48 | 61.8° | 54.4° |
| N1 | C6 | H49 | H50 | 120.0° | 120.0° |
| N1 | C6 | H49 | H51 | 120.0° | 120.0° |
| N1 | C6 | H50 | H51 | 120.0° | 120.0° |
| C6 | N1 | C7 | H52 | 180.0° | 180.0° |
| C6 | N1 | C7 | H53 | 60.0° | 60.0° |
| C6 | N1 | C7 | H54 | 60.0° | 60.0° |
| C6 | N1 | C8 | H55 | 180.0° | 59.9° |
| C6 | N1 | C8 | H56 | 60.0° | 60.0° |
| C6 | N1 | C8 | H57 | 60.0° | 180.0° |
| N1 | C5 | C4 | H47 | 120.2° | 120.0° |
| N1 | C5 | C4 | H48 | 120.2° | 120.0° |
| N1 | C5 | C4 | O5 | 173.7° | 66.5° |
| C5 | N1 | C7 | C8 | 121.7° | 119.9° |
| N1 | C5 | C4 | H45 | 54.3° | 53.6° |
| N1 | C5 | C4 | H46 | 66.8° | 173.5° |
| N1 | C5 | H47 | H48 | 119.4° | 120.1° |
| C5 | N1 | C6 | H49 | 180.0° | 71.1° |
| C5 | N1 | C6 | H50 | 60.0° | 168.9° |
| C5 | N1 | C6 | H51 | 60.0° | 48.9° |
| C5 | N1 | C7 | H52 | 60.1° | 60.0° |
| C5 | N1 | C7 | H53 | 179.9° | 179.9° |
| C5 | N1 | C7 | H54 | 59.9° | 60.0° |
| C5 | N1 | C8 | H55 | 60.9° | 60.1° |
| C5 | N1 | C8 | H56 | 59.1° | 180.0° |
| C5 | N1 | C8 | H57 | 179.1° | 60.0° |
| C5 | C4 | O5 | H45 | 119.5° | 120.0° |
| C5 | C4 | O5 | H46 | 119.5° | 120.0° |
| C5 | C4 | O5 | P | 167.2° | 180.0° |
| C4 | C5 | N1 | C7 | 58.3° | 54.5° |
| C4 | C5 | N1 | C8 | 63.2° | 174.4° |
| C5 | C4 | H45 | H46 | 121.6° | 120.0° |
| C4 | C5 | H47 | H48 | 119.4° | 120.0° |
| O3P | P | O5 | C4 | 133.1° | 175.0° |
| O3P | P | O5 | O1 | 114.3° | 120.0° |
| O3P | P | O5 | O4 | 114.1° | 120.0° |
| O3P | P | O1 | O4 | 137.1° | 120.0° |
| P | O3P | C1 | H25 | 70.1° | 60.0° |
| P | O3P | C1 | H26 | 50.0° | 60.1° |
| O3P | P | O4 | H44 | 137.1° | 60.0° |
| C4 | O5 | P | O1 | 112.6° | 55.0° |
| C4 | O5 | P | O4 | 19.0° | 65.0° |
| O5 | C4 | H45 | H46 | 121.5° | 120.0° |
| O5 | C4 | C5 | H47 | 66.1° | 173.5° |
| O5 | C4 | C5 | H48 | 53.5° | 53.5° |
| O5 | P | O1 | O4 | 111.7° | 120.0° |
| O5 | P | O4 | H44 | 111.9° | 60.0° |
| P | O5 | C4 | H45 | 73.3° | 60.0° |
| P | O5 | C4 | H46 | 47.7° | 60.0° |
| C7 | N1 | C5 | H47 | 61.9° | 65.5° |
| C7 | N1 | C5 | H48 | 178.6° | 174.4° |
| C7 | N1 | C6 | H49 | 58.7° | 48.9° |
| C7 | N1 | C6 | H50 | 178.6° | 71.1° |
| C7 | N1 | C6 | H51 | 61.4° | 168.9° |
| N1 | C7 | H52 | H53 | 120.0° | 120.0° |
| N1 | C7 | H52 | H54 | 120.0° | 119.9° |
| N1 | C7 | H53 | H54 | 120.0° | 120.0° |
| C7 | N1 | C8 | H55 | 61.7° | 179.9° |
| C7 | N1 | C8 | H56 | 178.3° | 60.0° |
| C7 | N1 | C8 | H57 | 58.3° | 60.0° |
| C8 | N1 | C5 | H47 | 176.6° | 54.5° |
| C8 | N1 | C5 | H48 | 57.1° | 65.6° |
| C8 | N1 | C6 | H49 | 60.3° | 169.0° |
| C8 | N1 | C6 | H50 | 59.7° | 49.0° |
| C8 | N1 | C6 | H51 | 179.7° | 71.1° |
| C8 | N1 | C7 | H52 | 61.6° | 59.9° |
| C8 | N1 | C7 | H53 | 58.4° | 60.0° |
| C8 | N1 | C7 | H54 | 178.4° | 179.9° |
| N1 | C8 | H55 | H56 | 120.0° | 119.9° |
| N1 | C8 | H55 | H57 | 120.0° | 120.1° |
| N1 | C8 | H56 | H57 | 120.0° | 120.0° |
| O1 | P | O4 | H44 | 0.0° | 180.0° |
| H1 | C12 | C13 | H3 | 179.1° | 180.0° |
| H1 | C12 | C13 | H4 | 62.6° | 60.0° |
| H2 | C12 | C13 | H3 | 60.5° | 60.0° |
| H2 | C12 | C13 | H4 | 178.8° | 179.9° |
| H3 | C13 | C14 | H5 | 173.3° | 180.0° |
| H3 | C13 | C14 | H58 | 55.1° | 60.0° |
| H4 | C13 | C14 | H5 | 68.4° | 60.0° |
| H4 | C13 | C14 | H58 | 173.4° | 180.0° |
| H5 | C14 | C15 | H6 | 167.8° | 180.0° |
| H5 | C14 | C15 | H59 | 74.3° | 60.0° |
| H6 | C15 | C16 | H7 | 150.7° | 180.0° |
| H6 | C15 | C16 | H8 | 90.9° | 59.9° |
| H6 | C15 | C14 | H58 | 49.6° | 60.0° |
| H7 | C16 | C17 | H9 | 144.0° | 180.0° |
| H7 | C16 | C17 | H10 | 98.0° | 60.0° |
| H7 | C16 | C15 | H59 | 32.8° | 59.9° |
| H8 | C16 | C17 | H9 | 25.6° | 60.0° |
| H8 | C16 | C17 | H10 | 143.6° | 180.0° |
| H8 | C16 | C15 | H59 | 151.2° | 180.0° |
| H9 | C17 | C18 | H11 | 136.0° | 180.0° |
| H9 | C17 | C18 | H12 | 17.4° | 59.9° |
| H10 | C17 | C18 | H11 | 106.1° | 60.0° |
| H10 | C17 | C18 | H12 | 135.4° | 180.0° |
| H11 | C18 | C19 | H13 | 145.3° | 180.0° |
| H11 | C18 | C19 | H14 | 27.0° | 60.0° |
| H12 | C18 | C19 | H13 | 96.2° | 60.0° |
| H12 | C18 | C19 | H14 | 145.6° | 179.9° |
| H13 | C19 | C20 | H15 | 153.9° | 180.0° |
| H13 | C19 | C20 | H16 | 87.1° | 60.0° |
| H14 | C19 | C20 | H15 | 35.7° | 60.0° |
| H14 | C19 | C20 | H16 | 154.7° | 180.0° |
| H15 | C20 | C21 | H17 | 143.3° | 180.0° |
| H15 | C20 | C21 | H18 | 98.2° | 60.0° |
| H16 | C20 | C21 | H17 | 24.3° | 60.0° |
| H16 | C20 | C21 | H18 | 142.8° | 179.9° |
| H17 | C21 | C22 | H19 | 59.3° | 60.0° |
| H17 | C21 | C22 | H20 | 60.7° | 180.0° |
| H17 | C21 | C22 | H21 | 179.3° | 60.0° |
| H18 | C21 | C22 | H19 | 59.3° | 60.0° |
| H18 | C21 | C22 | H20 | 179.2° | 60.0° |
| H18 | C21 | C22 | H21 | 60.8° | 180.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.1° |
| H22 | C3 | C2 | H24 | 23.7° | 65.0° |
| H23 | C3 | C2 | H24 | 95.7° | 55.0° |
| H24 | C2 | C1 | H25 | 168.1° | 65.0° |
| H24 | C2 | C1 | H26 | 71.7° | 55.1° |
| H27 | C32 | C33 | H29 | 145.2° | 180.0° |
| H27 | C32 | C33 | H30 | 97.1° | 60.0° |
| H28 | C32 | C33 | H29 | 26.2° | 60.0° |
| H28 | C32 | C33 | H30 | 143.9° | NaN° |
| H29 | C33 | C34 | H31 | 122.6° | 180.0° |
| H29 | C33 | C34 | H60 | 119.3° | 60.0° |
| H30 | C33 | C34 | H31 | 4.8° | 60.0° |
| H30 | C33 | C34 | H60 | 122.9° | 180.0° |
| H31 | C34 | C35 | H32 | 0.0° | NaN° |
| H31 | C34 | C35 | H61 | 118.1° | 60.0° |
| H32 | C35 | C36 | H33 | 154.5° | 180.0° |
| H32 | C35 | C36 | H34 | 36.4° | 60.0° |
| H32 | C35 | C34 | H60 | 118.1° | 60.0° |
| H33 | C36 | C37 | H35 | 147.4° | 180.0° |
| H33 | C36 | C37 | H36 | 93.7° | 60.0° |
| H33 | C36 | C35 | H61 | 87.4° | 60.0° |
| H34 | C36 | C37 | H35 | 29.3° | 60.0° |
| H34 | C36 | C37 | H36 | 148.2° | 180.0° |
| H34 | C36 | C35 | H61 | 154.5° | 180.0° |
| H35 | C37 | C38 | H37 | 171.3° | 180.0° |
| H35 | C37 | C38 | H38 | 70.1° | 60.1° |
| H36 | C37 | C38 | H37 | 52.4° | 60.1° |
| H36 | C37 | C38 | H38 | 171.0° | 180.0° |
| H37 | C38 | C39 | H39 | 178.0° | 180.0° |
| H37 | C38 | C39 | H40 | 59.0° | 60.0° |
| H38 | C38 | C39 | H39 | 63.4° | 60.0° |
| H38 | C38 | C39 | H40 | 177.6° | 180.0° |
| H39 | C39 | C40 | H41 | 59.5° | 180.0° |
| H39 | C39 | C40 | H42 | 60.5° | 60.0° |
| H39 | C39 | C40 | H43 | 179.5° | 60.0° |
| H40 | C39 | C40 | H41 | 59.5° | 60.0° |
| H40 | C39 | C40 | H42 | 179.5° | 180.0° |
| H40 | C39 | C40 | H43 | 60.5° | 60.0° |
| H41 | C40 | H42 | H43 | 120.0° | 120.0° |
| H45 | C4 | C5 | H47 | 174.5° | 66.5° |
| H45 | C4 | C5 | H48 | 66.0° | 173.5° |
| H46 | C4 | C5 | H47 | 53.4° | 53.5° |
| H46 | C4 | C5 | H48 | 173.0° | 66.5° |
| H49 | C6 | H50 | H51 | 120.0° | 120.0° |
| H52 | C7 | H53 | H54 | 120.0° | 120.0° |
| H55 | C8 | H56 | H57 | 120.0° | 120.0° |
| H58 | C14 | C15 | H59 | 167.5° | 179.9° |
| H60 | C34 | C35 | H61 | 0.1° | 180.0° |
