SBJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C5 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O4P | sing | 1.43Å | 1.38Å | |
| O2P | P | doub | 1.48Å | 1.49Å | |
| O4P | P | sing | 1.61Å | 1.70Å | |
| P | O3P | sing | 1.61Å | 1.73Å | |
| P | O1P | sing | 1.61Å | 1.49Å | |
| O31 | C31 | doub | 1.21Å | 1.22Å | |
| C1 | O3P | sing | 1.43Å | 1.38Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C31 | O2 | sing | 1.34Å | 1.36Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| O2 | C2 | sing | 1.45Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.45Å | 1.43Å | |
| O3 | C11 | sing | 1.34Å | 1.38Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C40 | C41 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C42 | C43 | sing | 1.53Å | 1.54Å | |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C44 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C47 | C48 | sing | 1.53Å | 1.52Å | |
| C48 | H1 | sing | 1.09Å | 1.10Å | |
| C48 | H2 | sing | 1.09Å | 1.10Å | |
| C48 | H3 | sing | 1.09Å | 1.10Å | |
| C47 | H4 | sing | 1.09Å | 1.10Å | |
| C47 | H5 | sing | 1.09Å | 1.10Å | |
| C46 | H6 | sing | 1.09Å | 1.10Å | |
| C46 | H7 | sing | 1.09Å | 1.10Å | |
| C45 | H8 | sing | 1.09Å | 1.10Å | |
| C45 | H9 | sing | 1.09Å | 1.10Å | |
| C44 | H10 | sing | 1.09Å | 1.10Å | |
| C44 | H11 | sing | 1.09Å | 1.10Å | |
| C43 | H12 | sing | 1.09Å | 1.10Å | |
| C43 | H13 | sing | 1.09Å | 1.10Å | |
| C42 | H14 | sing | 1.09Å | 1.10Å | |
| C42 | H15 | sing | 1.09Å | 1.10Å | |
| C41 | H16 | sing | 1.09Å | 1.10Å | |
| C41 | H17 | sing | 1.09Å | 1.10Å | |
| C40 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C38 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C34 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C1 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| O1P | H39 | sing | 0.97Å | 0.95Å | |
| C4 | H40 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C5 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H43 | sing | 1.09Å | 1.10Å | |
| N6 | H44 | sing | 1.01Å | 1.00Å | |
| N6 | H45 | sing | 1.01Å | 1.00Å | |
| C3 | H47 | sing | 1.09Å | 1.10Å | |
| C3 | H48 | sing | 1.09Å | 1.10Å | |
| C12 | H49 | sing | 1.09Å | 1.10Å | |
| C12 | H50 | sing | 1.09Å | 1.10Å | |
| C13 | H51 | sing | 1.09Å | 1.10Å | |
| C13 | H52 | sing | 1.09Å | 1.10Å | |
| C14 | H53 | sing | 1.09Å | 1.10Å | |
| C14 | H54 | sing | 1.09Å | 1.10Å | |
| C15 | H55 | sing | 1.09Å | 1.10Å | |
| C15 | H56 | sing | 1.09Å | 1.10Å | |
| C16 | H57 | sing | 1.09Å | 1.10Å | |
| C16 | H58 | sing | 1.09Å | 1.10Å | |
| C17 | H59 | sing | 1.09Å | 1.10Å | |
| C17 | H60 | sing | 1.09Å | 1.10Å | |
| C18 | H61 | sing | 1.09Å | 1.10Å | |
| C18 | H62 | sing | 1.09Å | 1.10Å | |
| C18 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C5 | C4 | 113.5° | 109.5° |
| N6 | C5 | H42 | 108.5° | 109.4° |
| N6 | C5 | H43 | 108.4° | 109.5° |
| C5 | N6 | H44 | 109.5° | 111.0° |
| C5 | N6 | H45 | 109.4° | 111.0° |
| C5 | C4 | O4P | 108.9° | 109.5° |
| C5 | C4 | H40 | 109.6° | 109.5° |
| C5 | C4 | H41 | 109.6° | 109.5° |
| C4 | C5 | H42 | 108.4° | 109.5° |
| C4 | C5 | H43 | 108.5° | 109.5° |
| C4 | O4P | P | 118.1° | 123.0° |
| O4P | C4 | H40 | 109.6° | 109.5° |
| O4P | C4 | H41 | 109.6° | 109.5° |
| O2P | P | O4P | 106.1° | 109.4° |
| O2P | P | O3P | 104.8° | 109.5° |
| O2P | P | O1P | 126.9° | 109.5° |
| O4P | P | O3P | 106.1° | 109.5° |
| O4P | P | O1P | 104.7° | 109.5° |
| O3P | P | O1P | 106.7° | 109.5° |
| P | O3P | C1 | 119.3° | 123.0° |
| P | O1P | H39 | 109.5° | 114.0° |
| O31 | C31 | O2 | 119.9° | 119.9° |
| O31 | C31 | C32 | 124.6° | 120.0° |
| O3P | C1 | C2 | 110.7° | 109.5° |
| O3P | C1 | H37 | 109.2° | 109.4° |
| O3P | C1 | H38 | 109.2° | 109.4° |
| C1 | C2 | O2 | 105.9° | 109.5° |
| C1 | C2 | C3 | 111.1° | 109.5° |
| C1 | C2 | H36 | 110.8° | 109.5° |
| C2 | C1 | H37 | 109.2° | 109.5° |
| C2 | C1 | H38 | 109.2° | 109.5° |
| O2 | C31 | C32 | 115.5° | 120.0° |
| C31 | O2 | C2 | 121.9° | 117.0° |
| C31 | C32 | C33 | 113.1° | 109.5° |
| C31 | C32 | H34 | 108.6° | 109.4° |
| C31 | C32 | H35 | 108.5° | 109.4° |
| O2 | C2 | C3 | 105.4° | 109.4° |
| O2 | C2 | H36 | 112.7° | 109.5° |
| C2 | C3 | O3 | 111.1° | 109.5° |
| C3 | C2 | H36 | 110.8° | 109.5° |
| C2 | C3 | H47 | 109.0° | 109.4° |
| C2 | C3 | H48 | 109.1° | 109.4° |
| C32 | C33 | C34 | 116.1° | 109.5° |
| C32 | C33 | H32 | 107.8° | 109.5° |
| C32 | C33 | H33 | 107.8° | 109.5° |
| C33 | C32 | H34 | 108.5° | 109.5° |
| C33 | C32 | H35 | 108.5° | 109.5° |
| C33 | C34 | C35 | 114.4° | 109.5° |
| C33 | C34 | H30 | 108.2° | 109.4° |
| C33 | C34 | H31 | 108.2° | 109.4° |
| C34 | C33 | H32 | 107.8° | 109.5° |
| C34 | C33 | H33 | 107.8° | 109.5° |
| C34 | C35 | C36 | 116.4° | 109.5° |
| C34 | C35 | H28 | 107.7° | 109.4° |
| C34 | C35 | H29 | 107.7° | 109.5° |
| C35 | C34 | H30 | 108.2° | 109.5° |
| C35 | C34 | H31 | 108.2° | 109.5° |
| C3 | O3 | C11 | 118.5° | 117.0° |
| O3 | C3 | H47 | 109.1° | 109.5° |
| O3 | C3 | H48 | 109.1° | 109.5° |
| O3 | C11 | O11 | 119.4° | 120.0° |
| O3 | C11 | C12 | 116.7° | 120.0° |
| C35 | C36 | C37 | 114.9° | 109.5° |
| C35 | C36 | H26 | 108.1° | 109.4° |
| C35 | C36 | H27 | 108.1° | 109.5° |
| C36 | C35 | H28 | 107.7° | 109.5° |
| C36 | C35 | H29 | 107.7° | 109.5° |
| O11 | C11 | C12 | 123.8° | 120.0° |
| C11 | C12 | C13 | 113.8° | 109.5° |
| C11 | C12 | H49 | 108.4° | 109.4° |
| C11 | C12 | H50 | 108.4° | 109.4° |
| C36 | C37 | C38 | 116.3° | 109.5° |
| C36 | C37 | H24 | 107.7° | 109.5° |
| C36 | C37 | H25 | 107.7° | 109.5° |
| C37 | C36 | H26 | 108.1° | 109.5° |
| C37 | C36 | H27 | 108.1° | 109.5° |
| C12 | C13 | C14 | 114.1° | 109.5° |
| C13 | C12 | H49 | 108.4° | 109.5° |
| C13 | C12 | H50 | 108.4° | 109.5° |
| C12 | C13 | H51 | 108.3° | 109.4° |
| C12 | C13 | H52 | 108.3° | 109.4° |
| C37 | C38 | C39 | 116.5° | 109.4° |
| C37 | C38 | H22 | 107.7° | 109.4° |
| C37 | C38 | H23 | 107.7° | 109.5° |
| C38 | C37 | H24 | 107.7° | 109.5° |
| C38 | C37 | H25 | 107.7° | 109.5° |
| C13 | C14 | C15 | 112.6° | 109.5° |
| C14 | C13 | H51 | 108.3° | 109.5° |
| C14 | C13 | H52 | 108.3° | 109.5° |
| C13 | C14 | H53 | 108.7° | 109.4° |
| C13 | C14 | H54 | 108.7° | 109.5° |
| C38 | C39 | C40 | 112.7° | 109.4° |
| C38 | C39 | H20 | 108.6° | 109.5° |
| C38 | C39 | H21 | 108.7° | 109.5° |
| C39 | C38 | H22 | 107.7° | 109.5° |
| C39 | C38 | H23 | 107.7° | 109.5° |
| C14 | C15 | C16 | 113.4° | 109.4° |
| C15 | C14 | H53 | 108.7° | 109.5° |
| C15 | C14 | H54 | 108.7° | 109.5° |
| C14 | C15 | H55 | 108.5° | 109.4° |
| C14 | C15 | H56 | 108.5° | 109.4° |
| C39 | C40 | C41 | 114.4° | 109.5° |
| C39 | C40 | H18 | 108.2° | 109.5° |
| C39 | C40 | H19 | 108.2° | 109.5° |
| C40 | C39 | H20 | 108.7° | 109.5° |
| C40 | C39 | H21 | 108.6° | 109.4° |
| C15 | C16 | C17 | 111.9° | 109.5° |
| C16 | C15 | H55 | 108.5° | 109.5° |
| C16 | C15 | H56 | 108.5° | 109.5° |
| C15 | C16 | H57 | 108.9° | 109.5° |
| C15 | C16 | H58 | 108.8° | 109.5° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C17 | C16 | H57 | 108.9° | 109.5° |
| C17 | C16 | H58 | 108.9° | 109.4° |
| C16 | C17 | H59 | 108.7° | 109.5° |
| C16 | C17 | H60 | 108.7° | 109.5° |
| C40 | C41 | C42 | 113.2° | 109.5° |
| C40 | C41 | H16 | 108.6° | 109.4° |
| C40 | C41 | H17 | 108.5° | 109.5° |
| C41 | C40 | H18 | 108.2° | 109.5° |
| C41 | C40 | H19 | 108.2° | 109.5° |
| C18 | C17 | H59 | 108.7° | 109.5° |
| C18 | C17 | H60 | 108.7° | 109.5° |
| C17 | C18 | H61 | 109.5° | 109.4° |
| C17 | C18 | H62 | 109.5° | 109.5° |
| C17 | C18 | H63 | 109.5° | 109.4° |
| C41 | C42 | C43 | 113.7° | 109.4° |
| C41 | C42 | H14 | 108.4° | 109.4° |
| C41 | C42 | H15 | 108.4° | 109.5° |
| C42 | C41 | H16 | 108.5° | 109.5° |
| C42 | C41 | H17 | 108.5° | 109.5° |
| C42 | C43 | C44 | 112.5° | 109.4° |
| C42 | C43 | H12 | 108.7° | 109.5° |
| C42 | C43 | H13 | 108.7° | 109.4° |
| C43 | C42 | H14 | 108.4° | 109.5° |
| C43 | C42 | H15 | 108.4° | 109.5° |
| C43 | C44 | C45 | 113.4° | 109.4° |
| C43 | C44 | H10 | 108.5° | 109.5° |
| C43 | C44 | H11 | 108.5° | 109.5° |
| C44 | C43 | H12 | 108.7° | 109.5° |
| C44 | C43 | H13 | 108.7° | 109.4° |
| C44 | C45 | C46 | 112.1° | 109.4° |
| C44 | C45 | H8 | 108.8° | 109.5° |
| C44 | C45 | H9 | 108.8° | 109.5° |
| C45 | C44 | H10 | 108.5° | 109.5° |
| C45 | C44 | H11 | 108.5° | 109.5° |
| C45 | C46 | C47 | 112.2° | 109.5° |
| C45 | C46 | H6 | 108.8° | 109.5° |
| C45 | C46 | H7 | 108.8° | 109.5° |
| C46 | C45 | H8 | 108.8° | 109.5° |
| C46 | C45 | H9 | 108.8° | 109.5° |
| C46 | C47 | C48 | 112.8° | 109.5° |
| C46 | C47 | H4 | 108.6° | 109.5° |
| C46 | C47 | H5 | 108.6° | 109.5° |
| C47 | C46 | H6 | 108.8° | 109.5° |
| C47 | C46 | H7 | 108.8° | 109.4° |
| C47 | C48 | H1 | 109.5° | 109.5° |
| C47 | C48 | H2 | 109.5° | 109.5° |
| C47 | C48 | H3 | 109.5° | 109.5° |
| C48 | C47 | H4 | 108.6° | 109.5° |
| C48 | C47 | H5 | 108.6° | 109.5° |
| H1 | C48 | H2 | 109.4° | 109.5° |
| H1 | C48 | H3 | 109.4° | 109.4° |
| H2 | C48 | H3 | 109.5° | 109.5° |
| H4 | C47 | H5 | 109.5° | 109.4° |
| H6 | C46 | H7 | 109.4° | 109.5° |
| H8 | C45 | H9 | 109.5° | 109.5° |
| H10 | C44 | H11 | 109.5° | 109.5° |
| H12 | C43 | H13 | 109.5° | 109.6° |
| H14 | C42 | H15 | 109.4° | 109.5° |
| H16 | C41 | H17 | 109.5° | 109.5° |
| H18 | C40 | H19 | 109.5° | 109.5° |
| H20 | C39 | H21 | 109.5° | 109.6° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H24 | C37 | H25 | 109.4° | 109.4° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.5° | 109.4° |
| H30 | C34 | H31 | 109.5° | 109.4° |
| H32 | C33 | H33 | 109.5° | 109.4° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H37 | C1 | H38 | 109.4° | 109.5° |
| H40 | C4 | H41 | 109.5° | 109.4° |
| H42 | C5 | H43 | 109.5° | 109.4° |
| H44 | N6 | H45 | 109.4° | 111.0° |
| H47 | C3 | H48 | 109.5° | 109.5° |
| H49 | C12 | H50 | 109.5° | 109.5° |
| H51 | C13 | H52 | 109.5° | 109.5° |
| H53 | C14 | H54 | 109.5° | 109.5° |
| H55 | C15 | H56 | 109.5° | 109.5° |
| H57 | C16 | H58 | 109.5° | 109.5° |
| H59 | C17 | H60 | 109.5° | 109.4° |
| H61 | C18 | H62 | 109.5° | 109.5° |
| H61 | C18 | H63 | 109.5° | 109.4° |
| H62 | C18 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C5 | C4 | H42 | 120.6° | 120.0° |
| N6 | C5 | C4 | H43 | 120.6° | 120.1° |
| N6 | C5 | C4 | O4P | 149.3° | 65.0° |
| N6 | C5 | C4 | H40 | 90.8° | 55.0° |
| N6 | C5 | C4 | H41 | 29.4° | 174.9° |
| N6 | C5 | H42 | H43 | 118.1° | 120.0° |
| C5 | N6 | H44 | H45 | 120.0° | 123.9° |
| C5 | C4 | O4P | H40 | 119.9° | 120.0° |
| C5 | C4 | O4P | H41 | 119.9° | 120.1° |
| C5 | C4 | O4P | P | 91.9° | 180.0° |
| C5 | C4 | H40 | H41 | 120.3° | 120.0° |
| C4 | C5 | H42 | H43 | 118.2° | 120.0° |
| C4 | C5 | N6 | H44 | 180.0° | 56.1° |
| C4 | C5 | N6 | H45 | 60.0° | 180.0° |
| C4 | O4P | P | O2P | 28.1° | 55.0° |
| C4 | O4P | P | O3P | 139.2° | 175.0° |
| C4 | O4P | P | O1P | 108.2° | 65.0° |
| O4P | C4 | H40 | H41 | 120.2° | 120.0° |
| O4P | C4 | C5 | H42 | 28.7° | 175.0° |
| O4P | C4 | C5 | H43 | 90.2° | 55.0° |
| O2P | P | O4P | O3P | 111.1° | 120.0° |
| O2P | P | O4P | O1P | 136.3° | 120.0° |
| O2P | P | O3P | O1P | 136.7° | 120.0° |
| O2P | P | O3P | C1 | 28.9° | 55.0° |
| O2P | P | O1P | H39 | 0.0° | 180.0° |
| O4P | P | O3P | O1P | 111.2° | 120.0° |
| O4P | P | O3P | C1 | 140.9° | 175.0° |
| O4P | P | O1P | H39 | 123.9° | 60.0° |
| P | O4P | C4 | H40 | 148.2° | 59.9° |
| P | O4P | C4 | H41 | 28.0° | 60.0° |
| P | O3P | C1 | C2 | 113.7° | 180.0° |
| P | O3P | C1 | H37 | 126.1° | 60.0° |
| P | O3P | C1 | H38 | 6.5° | 60.0° |
| O3P | P | O1P | H39 | 124.0° | 60.0° |
| O1P | P | O3P | C1 | 107.8° | 65.0° |
| O31 | C31 | O2 | C32 | 179.4° | 180.0° |
| O31 | C31 | O2 | C2 | 75.4° | 0.0° |
| O31 | C31 | C32 | C33 | 15.6° | 0.0° |
| O31 | C31 | C32 | H34 | 136.1° | 120.0° |
| O31 | C31 | C32 | H35 | 105.0° | 120.0° |
| O3P | C1 | C2 | H37 | 120.2° | 120.0° |
| O3P | C1 | C2 | H38 | 120.2° | 120.0° |
| O3P | C1 | C2 | O2 | 103.9° | 65.0° |
| O3P | C1 | C2 | C3 | 10.1° | 55.0° |
| O3P | C1 | C2 | H36 | 133.6° | 175.0° |
| O3P | C1 | H37 | H38 | 119.4° | 120.0° |
| C1 | C2 | O2 | C31 | 97.3° | 90.0° |
| C1 | C2 | O2 | C3 | 117.8° | 120.0° |
| C1 | C2 | O2 | H36 | 121.2° | 120.0° |
| C1 | C2 | C3 | H36 | 123.6° | 120.0° |
| C1 | C2 | C3 | O3 | 74.1° | 55.0° |
| C2 | C1 | H37 | H38 | 119.4° | 120.0° |
| C1 | C2 | C3 | H47 | 165.7° | 65.0° |
| C1 | C2 | C3 | H48 | 46.1° | 175.0° |
| C31 | O2 | C2 | C3 | 144.9° | 150.0° |
| O2 | C31 | C32 | C33 | 163.8° | 180.0° |
| O2 | C31 | C32 | H34 | 43.3° | 60.0° |
| O2 | C31 | C32 | H35 | 75.6° | 60.0° |
| C31 | O2 | C2 | H36 | 24.0° | 30.0° |
| C32 | C31 | O2 | C2 | 105.2° | 180.0° |
| C31 | C32 | C33 | H34 | 120.5° | 120.0° |
| C31 | C32 | C33 | H35 | 120.5° | 120.0° |
| C31 | C32 | C33 | C34 | 171.2° | 180.0° |
| C31 | C32 | C33 | H32 | 50.3° | 60.0° |
| C31 | C32 | C33 | H33 | 67.8° | 60.0° |
| C31 | C32 | H34 | H35 | 118.3° | 119.9° |
| O2 | C2 | C3 | H36 | 122.2° | 120.0° |
| O2 | C2 | C3 | O3 | 171.6° | 65.0° |
| O2 | C2 | C1 | H37 | 135.9° | 55.0° |
| O2 | C2 | C1 | H38 | 16.3° | 175.0° |
| O2 | C2 | C3 | H47 | 51.4° | 175.0° |
| O2 | C2 | C3 | H48 | 68.1° | 55.0° |
| C2 | C3 | O3 | H47 | 120.2° | 119.9° |
| C2 | C3 | O3 | H48 | 120.2° | 120.0° |
| C2 | C3 | O3 | C11 | 150.8° | 180.0° |
| C3 | C2 | C1 | H37 | 110.1° | 175.0° |
| C3 | C2 | C1 | H38 | 130.3° | 65.0° |
| C2 | C3 | H47 | H48 | 119.3° | 120.0° |
| C32 | C33 | C34 | H32 | 120.9° | 120.1° |
| C32 | C33 | C34 | H33 | 120.9° | 120.0° |
| C32 | C33 | C34 | C35 | 24.8° | 180.0° |
| C32 | C33 | C34 | H30 | 96.0° | 60.0° |
| C32 | C33 | C34 | H31 | 145.5° | 60.0° |
| C32 | C33 | H32 | H33 | 117.0° | 120.0° |
| C33 | C32 | H34 | H35 | 118.3° | 120.1° |
| C33 | C34 | C35 | H30 | 120.7° | 120.0° |
| C33 | C34 | C35 | H31 | 120.7° | 120.0° |
| C33 | C34 | C35 | C36 | 117.5° | 180.0° |
| C33 | C34 | C35 | H28 | 121.5° | 60.0° |
| C33 | C34 | C35 | H29 | 3.6° | 59.9° |
| C33 | C34 | H30 | H31 | 117.8° | 119.9° |
| C34 | C33 | H32 | H33 | 117.0° | 120.0° |
| C34 | C33 | C32 | H34 | 68.2° | 60.0° |
| C34 | C33 | C32 | H35 | 50.7° | 60.0° |
| C34 | C35 | C36 | H28 | 121.0° | 120.0° |
| C34 | C35 | C36 | H29 | 121.0° | 120.1° |
| C34 | C35 | C36 | C37 | 151.3° | 180.0° |
| C34 | C35 | C36 | H26 | 30.5° | 60.0° |
| C34 | C35 | C36 | H27 | 87.9° | 59.9° |
| C34 | C35 | H28 | H29 | 116.8° | 120.0° |
| C35 | C34 | H30 | H31 | 117.8° | 120.1° |
| C35 | C34 | C33 | H32 | 145.7° | 59.9° |
| C35 | C34 | C33 | H33 | 96.2° | 60.0° |
| C3 | O3 | C11 | O11 | 139.1° | 0.0° |
| C3 | O3 | C11 | C12 | 40.7° | 180.0° |
| O3 | C3 | C2 | H36 | 49.5° | 175.0° |
| O3 | C3 | H47 | H48 | 119.3° | 120.1° |
| O3 | C11 | O11 | C12 | 179.8° | 180.0° |
| O3 | C11 | C12 | C13 | 157.1° | 180.0° |
| C11 | O3 | C3 | H47 | 30.6° | 60.0° |
| C11 | O3 | C3 | H48 | 88.9° | 60.1° |
| O3 | C11 | C12 | H49 | 36.5° | 60.0° |
| O3 | C11 | C12 | H50 | 82.2° | 60.0° |
| C35 | C36 | C37 | H26 | 120.8° | 119.9° |
| C35 | C36 | C37 | H27 | 120.8° | 120.0° |
| C35 | C36 | C37 | C38 | 162.3° | 180.0° |
| C35 | C36 | C37 | H24 | 41.3° | 60.0° |
| C35 | C36 | C37 | H25 | 76.7° | 60.0° |
| C35 | C36 | H26 | H27 | 117.5° | 120.0° |
| C36 | C35 | H28 | H29 | 116.8° | 120.0° |
| C36 | C35 | C34 | H30 | 3.3° | 60.0° |
| C36 | C35 | C34 | H31 | 121.8° | 60.0° |
| O11 | C11 | C12 | C13 | 23.1° | 0.0° |
| O11 | C11 | C12 | H49 | 143.7° | 120.0° |
| O11 | C11 | C12 | H50 | 97.6° | 120.0° |
| C11 | C12 | C13 | H49 | 120.7° | 120.0° |
| C11 | C12 | C13 | H50 | 120.6° | 120.0° |
| C11 | C12 | C13 | C14 | 150.2° | 180.0° |
| C11 | C12 | H49 | H50 | 118.0° | 119.9° |
| C11 | C12 | C13 | H51 | 89.2° | 60.0° |
| C11 | C12 | C13 | H52 | 29.5° | 60.0° |
| C36 | C37 | C38 | H24 | 121.0° | 120.0° |
| C36 | C37 | C38 | H25 | 121.0° | 120.0° |
| C36 | C37 | C38 | C39 | 153.6° | 180.0° |
| C36 | C37 | C38 | H22 | 85.4° | 60.0° |
| C36 | C37 | C38 | H23 | 32.6° | 60.0° |
| C36 | C37 | H24 | H25 | 116.9° | 120.0° |
| C37 | C36 | H26 | H27 | 117.6° | 120.1° |
| C37 | C36 | C35 | H28 | 87.7° | 60.0° |
| C37 | C36 | C35 | H29 | 30.3° | 59.9° |
| C12 | C13 | C14 | H51 | 120.7° | 119.9° |
| C12 | C13 | C14 | H52 | 120.7° | 120.0° |
| C12 | C13 | C14 | C15 | 173.1° | 180.0° |
| C13 | C12 | H49 | H50 | 118.0° | 120.1° |
| C12 | C13 | H51 | H52 | 117.9° | 120.0° |
| C12 | C13 | C14 | H53 | 66.4° | 60.0° |
| C12 | C13 | C14 | H54 | 52.6° | 60.0° |
| C37 | C38 | C39 | H22 | 121.0° | 120.0° |
| C37 | C38 | C39 | H23 | 121.0° | 120.0° |
| C37 | C38 | C39 | C40 | 151.9° | 180.0° |
| C37 | C38 | C39 | H20 | 31.4° | 60.0° |
| C37 | C38 | C39 | H21 | 87.6° | 60.1° |
| C37 | C38 | H22 | H23 | 116.8° | 120.0° |
| C38 | C37 | H24 | H25 | 116.9° | 120.0° |
| C38 | C37 | C36 | H26 | 76.9° | 60.0° |
| C38 | C37 | C36 | H27 | 41.5° | 60.0° |
| C13 | C14 | C15 | H53 | 120.5° | 120.0° |
| C13 | C14 | C15 | H54 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 163.2° | 180.0° |
| C14 | C13 | C12 | H49 | 29.5° | 60.0° |
| C14 | C13 | C12 | H50 | 89.2° | 60.0° |
| C14 | C13 | H51 | H52 | 117.9° | 120.1° |
| C13 | C14 | H53 | H54 | 118.6° | 120.0° |
| C13 | C14 | C15 | H55 | 76.3° | 60.0° |
| C13 | C14 | C15 | H56 | 42.6° | 60.0° |
| C38 | C39 | C40 | H20 | 120.5° | 120.0° |
| C38 | C39 | C40 | H21 | 120.5° | 119.9° |
| C38 | C39 | C40 | C41 | 139.3° | 180.0° |
| C38 | C39 | C40 | H18 | 18.6° | 60.0° |
| C38 | C39 | C40 | H19 | 99.9° | 60.0° |
| C38 | C39 | H20 | H21 | 118.5° | 120.0° |
| C39 | C38 | H22 | H23 | 116.8° | 120.0° |
| C39 | C38 | C37 | H24 | 32.6° | 60.0° |
| C39 | C38 | C37 | H25 | 85.4° | 60.0° |
| C14 | C15 | C16 | H55 | 120.6° | 120.0° |
| C14 | C15 | C16 | H56 | 120.6° | 120.0° |
| C14 | C15 | C16 | C17 | 172.9° | 180.0° |
| C15 | C14 | C13 | H51 | 52.4° | 60.1° |
| C15 | C14 | C13 | H52 | 66.2° | 60.0° |
| C15 | C14 | H53 | H54 | 118.6° | 120.0° |
| C14 | C15 | H55 | H56 | 118.2° | 120.0° |
| C14 | C15 | C16 | H57 | 66.8° | 60.0° |
| C14 | C15 | C16 | H58 | 52.5° | 60.0° |
| C39 | C40 | C41 | H18 | 120.7° | 120.0° |
| C39 | C40 | C41 | H19 | 120.8° | 120.0° |
| C39 | C40 | C41 | C42 | 177.5° | 179.9° |
| C39 | C40 | C41 | H16 | 62.0° | 60.0° |
| C39 | C40 | C41 | H17 | 56.9° | 60.0° |
| C39 | C40 | H18 | H19 | 117.8° | 120.0° |
| C40 | C39 | H20 | H21 | 118.5° | 120.0° |
| C40 | C39 | C38 | H22 | 87.1° | 60.0° |
| C40 | C39 | C38 | H23 | 30.9° | 60.0° |
| C15 | C16 | C17 | H57 | 120.3° | 120.1° |
| C15 | C16 | C17 | H58 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 157.4° | 180.0° |
| C16 | C15 | C14 | H53 | 42.7° | 60.0° |
| C16 | C15 | C14 | H54 | 76.3° | 60.0° |
| C16 | C15 | H55 | H56 | 118.2° | 120.1° |
| C15 | C16 | H57 | H58 | 118.9° | 120.0° |
| C15 | C16 | C17 | H59 | 82.1° | 60.0° |
| C15 | C16 | C17 | H60 | 36.9° | 60.0° |
| C16 | C17 | C18 | H59 | 120.5° | 120.0° |
| C16 | C17 | C18 | H60 | 120.5° | 120.0° |
| C17 | C16 | C15 | H55 | 52.3° | 60.0° |
| C17 | C16 | C15 | H56 | 66.6° | 60.0° |
| C17 | C16 | H57 | H58 | 118.9° | 119.9° |
| C16 | C17 | H59 | H60 | 118.5° | 120.0° |
| C16 | C17 | C18 | H61 | 180.0° | 60.0° |
| C16 | C17 | C18 | H62 | 60.0° | 180.0° |
| C16 | C17 | C18 | H63 | 60.0° | 60.0° |
| C40 | C41 | C42 | H16 | 120.6° | 120.0° |
| C40 | C41 | C42 | H17 | 120.5° | 120.0° |
| C40 | C41 | C42 | C43 | 161.5° | 180.0° |
| C40 | C41 | C42 | H14 | 40.8° | 60.1° |
| C40 | C41 | C42 | H15 | 77.8° | 60.0° |
| C40 | C41 | H16 | H17 | 118.3° | 120.0° |
| C41 | C40 | H18 | H19 | 117.7° | 120.0° |
| C41 | C40 | C39 | H20 | 100.2° | 60.0° |
| C41 | C40 | C39 | H21 | 18.8° | 60.1° |
| C18 | C17 | C16 | H57 | 37.1° | 60.0° |
| C18 | C17 | C16 | H58 | 82.3° | 60.0° |
| C18 | C17 | H59 | H60 | 118.5° | 120.0° |
| C17 | C18 | H61 | H62 | 120.0° | 120.1° |
| C17 | C18 | H61 | H63 | 120.0° | 119.9° |
| C17 | C18 | H62 | H63 | 120.0° | 120.0° |
| C41 | C42 | C43 | H14 | 120.6° | 119.9° |
| C41 | C42 | C43 | H15 | 120.6° | 120.0° |
| C41 | C42 | C43 | C44 | 134.4° | 179.9° |
| C41 | C42 | C43 | H12 | 105.1° | 60.1° |
| C41 | C42 | C43 | H13 | 14.0° | 60.0° |
| C41 | C42 | H14 | H15 | 118.0° | 120.0° |
| C42 | C41 | H16 | H17 | 118.3° | 120.0° |
| C42 | C41 | C40 | H18 | 56.7° | 60.0° |
| C42 | C41 | C40 | H19 | 61.8° | 60.0° |
| C42 | C43 | C44 | H12 | 120.5° | 120.0° |
| C42 | C43 | C44 | H13 | 120.4° | 119.9° |
| C42 | C43 | C44 | C45 | 134.2° | 180.0° |
| C42 | C43 | C44 | H10 | 105.2° | 60.0° |
| C42 | C43 | C44 | H11 | 13.6° | 60.0° |
| C42 | C43 | H12 | H13 | 118.6° | 120.0° |
| C43 | C42 | H14 | H15 | 118.1° | 120.0° |
| C43 | C42 | C41 | H16 | 77.9° | 60.0° |
| C43 | C42 | C41 | H17 | 41.0° | 60.0° |
| C43 | C44 | C45 | H10 | 120.6° | 120.0° |
| C43 | C44 | C45 | H11 | 120.6° | 120.0° |
| C43 | C44 | C45 | C46 | 168.4° | 180.0° |
| C43 | C44 | C45 | H8 | 48.0° | 60.0° |
| C43 | C44 | C45 | H9 | 71.2° | 60.0° |
| C43 | C44 | H10 | H11 | 118.2° | 120.0° |
| C44 | C43 | H12 | H13 | 118.6° | 120.0° |
| C44 | C43 | C42 | H14 | 13.8° | 60.0° |
| C44 | C43 | C42 | H15 | 104.9° | 60.0° |
| C44 | C45 | C46 | H8 | 120.4° | 120.0° |
| C44 | C45 | C46 | H9 | 120.4° | 120.0° |
| C44 | C45 | C46 | C47 | 175.1° | 180.0° |
| C44 | C45 | C46 | H6 | 64.5° | 60.0° |
| C44 | C45 | C46 | H7 | 54.7° | 60.0° |
| C44 | C45 | H8 | H9 | 118.8° | 120.0° |
| C45 | C44 | H10 | H11 | 118.2° | 120.0° |
| C45 | C44 | C43 | H12 | 13.8° | 60.0° |
| C45 | C44 | C43 | H13 | 105.3° | 60.1° |
| C45 | C46 | C47 | H6 | 120.4° | 120.1° |
| C45 | C46 | C47 | H7 | 120.4° | 120.0° |
| C45 | C46 | C47 | C48 | 177.5° | 180.0° |
| C45 | C46 | C47 | H4 | 57.0° | 59.9° |
| C45 | C46 | C47 | H5 | 62.0° | 60.0° |
| C45 | C46 | H6 | H7 | 118.7° | 120.0° |
| C46 | C45 | H8 | H9 | 118.8° | 120.0° |
| C46 | C45 | C44 | H10 | 71.1° | 60.0° |
| C46 | C45 | C44 | H11 | 47.8° | 60.0° |
| C46 | C47 | C48 | H4 | 120.5° | 120.0° |
| C46 | C47 | C48 | H5 | 120.5° | 120.0° |
| C46 | C47 | C48 | H1 | 180.0° | 60.0° |
| C46 | C47 | C48 | H2 | 60.0° | 60.0° |
| C46 | C47 | C48 | H3 | 60.0° | 180.0° |
| C46 | C47 | H4 | H5 | 118.5° | 119.9° |
| C47 | C46 | H6 | H7 | 118.7° | 119.9° |
| C47 | C46 | C45 | H8 | 54.7° | 60.0° |
| C47 | C46 | C45 | H9 | 64.6° | 60.0° |
| C47 | C48 | H1 | H2 | 120.0° | 120.0° |
| C47 | C48 | H1 | H3 | 120.0° | 120.0° |
| C47 | C48 | H2 | H3 | 120.0° | 120.0° |
| C48 | C47 | H4 | H5 | 118.5° | 120.0° |
| C48 | C47 | C46 | H6 | 62.1° | 60.0° |
| C48 | C47 | C46 | H7 | 57.1° | 60.0° |
| H1 | C48 | H2 | H3 | 119.9° | 120.0° |
| H1 | C48 | C47 | H4 | 59.5° | 60.0° |
| H1 | C48 | C47 | H5 | 59.5° | 180.0° |
| H2 | C48 | C47 | H4 | 179.5° | 179.9° |
| H2 | C48 | C47 | H5 | 60.5° | 60.0° |
| H3 | C48 | C47 | H4 | 60.5° | 60.0° |
| H3 | C48 | C47 | H5 | 179.5° | 60.0° |
| H4 | C47 | C46 | H6 | 177.4° | 180.0° |
| H4 | C47 | C46 | H7 | 63.4° | 60.1° |
| H5 | C47 | C46 | H6 | 58.4° | 60.1° |
| H5 | C47 | C46 | H7 | 177.6° | 179.9° |
| H6 | C46 | C45 | H8 | 175.1° | 180.0° |
| H6 | C46 | C45 | H9 | 55.9° | 60.0° |
| H7 | C46 | C45 | H8 | 65.7° | 59.9° |
| H7 | C46 | C45 | H9 | 175.0° | 180.0° |
| H8 | C45 | C44 | H10 | 168.6° | 180.0° |
| H8 | C45 | C44 | H11 | 72.6° | 60.0° |
| H9 | C45 | C44 | H10 | 49.4° | 60.0° |
| H9 | C45 | C44 | H11 | 168.2° | 180.0° |
| H10 | C44 | C43 | H12 | 134.3° | 180.0° |
| H10 | C44 | C43 | H13 | 15.2° | 59.9° |
| H11 | C44 | C43 | H12 | 106.8° | 59.9° |
| H11 | C44 | C43 | H13 | 134.1° | 180.0° |
| H12 | C43 | C42 | H14 | 134.2° | 180.0° |
| H12 | C43 | C42 | H15 | 15.5° | 60.0° |
| H13 | C43 | C42 | H14 | 106.6° | 59.9° |
| H13 | C43 | C42 | H15 | 134.6° | 179.9° |
| H14 | C42 | C41 | H16 | 161.4° | 180.0° |
| H14 | C42 | C41 | H17 | 79.7° | 60.0° |
| H15 | C42 | C41 | H16 | 42.7° | 60.0° |
| H15 | C42 | C41 | H17 | 161.6° | 180.0° |
| H16 | C41 | C40 | H18 | 177.3° | 180.0° |
| H16 | C41 | C40 | H19 | 58.8° | 60.0° |
| H17 | C41 | C40 | H18 | 63.8° | 60.0° |
| H17 | C41 | C40 | H19 | 177.7° | 180.0° |
| H18 | C40 | C39 | H20 | 139.1° | 180.0° |
| H18 | C40 | C39 | H21 | 101.9° | 59.9° |
| H19 | C40 | C39 | H20 | 20.5° | 59.9° |
| H19 | C40 | C39 | H21 | 139.6° | 180.0° |
| H20 | C39 | C38 | H22 | 152.4° | 180.0° |
| H20 | C39 | C38 | H23 | 89.6° | 60.0° |
| H21 | C39 | C38 | H22 | 33.4° | 59.9° |
| H21 | C39 | C38 | H23 | 151.4° | 179.9° |
| H22 | C38 | C37 | H24 | 153.6° | 180.0° |
| H22 | C38 | C37 | H25 | 35.6° | 60.0° |
| H23 | C38 | C37 | H24 | 88.4° | 60.0° |
| H23 | C38 | C37 | H25 | 153.6° | 180.0° |
| H24 | C37 | C36 | H26 | 162.1° | 179.9° |
| H24 | C37 | C36 | H27 | 79.5° | 60.0° |
| H25 | C37 | C36 | H26 | 44.1° | 60.0° |
| H25 | C37 | C36 | H27 | 162.5° | 180.0° |
| H26 | C36 | C35 | H28 | 151.5° | 180.0° |
| H26 | C36 | C35 | H29 | 90.5° | 60.0° |
| H27 | C36 | C35 | H28 | 33.1° | 60.0° |
| H27 | C36 | C35 | H29 | 151.1° | 180.0° |
| H28 | C35 | C34 | H30 | 117.7° | 180.0° |
| H28 | C35 | C34 | H31 | 0.8° | 60.0° |
| H29 | C35 | C34 | H30 | 124.3° | 60.1° |
| H29 | C35 | C34 | H31 | 117.2° | 179.9° |
| H30 | C34 | C33 | H32 | 24.9° | 180.0° |
| H30 | C34 | C33 | H33 | 143.1° | 60.1° |
| H31 | C34 | C33 | H32 | 93.6° | 60.1° |
| H31 | C34 | C33 | H33 | 24.5° | 180.0° |
| H32 | C33 | C32 | H34 | 170.8° | 179.9° |
| H32 | C33 | C32 | H35 | 70.2° | 60.0° |
| H33 | C33 | C32 | H34 | 52.7° | 60.0° |
| H33 | C33 | C32 | H35 | 171.7° | 180.0° |
| H36 | C2 | C1 | H37 | 13.4° | 65.0° |
| H36 | C2 | C1 | H38 | 106.2° | 55.0° |
| H36 | C2 | C3 | H47 | 70.8° | 55.0° |
| H36 | C2 | C3 | H48 | 169.7° | 65.0° |
| H40 | C4 | C5 | H42 | 148.6° | 65.0° |
| H40 | C4 | C5 | H43 | 29.8° | 175.0° |
| H41 | C4 | C5 | H42 | 91.2° | 55.0° |
| H41 | C4 | C5 | H43 | 150.0° | 65.0° |
| H42 | C5 | N6 | H44 | 59.4° | 64.0° |
| H42 | C5 | N6 | H45 | 60.6° | 60.0° |
| H43 | C5 | N6 | H44 | 59.4° | 176.1° |
| H43 | C5 | N6 | H45 | 179.4° | 59.9° |
| H49 | C12 | C13 | H51 | 150.2° | 180.0° |
| H49 | C12 | C13 | H52 | 91.2° | 60.0° |
| H50 | C12 | C13 | H51 | 31.4° | 60.0° |
| H50 | C12 | C13 | H52 | 150.1° | 180.0° |
| H51 | C13 | C14 | H53 | 172.9° | 179.9° |
| H51 | C13 | C14 | H54 | 68.0° | 60.0° |
| H52 | C13 | C14 | H53 | 54.2° | 60.0° |
| H52 | C13 | C14 | H54 | 173.3° | 180.0° |
| H53 | C14 | C15 | H55 | 163.3° | 180.0° |
| H53 | C14 | C15 | H56 | 77.9° | 60.0° |
| H54 | C14 | C15 | H55 | 44.2° | 60.0° |
| H54 | C14 | C15 | H56 | 163.1° | 180.0° |
| H55 | C15 | C16 | H57 | 172.6° | 179.9° |
| H55 | C15 | C16 | H58 | 68.1° | 59.9° |
| H56 | C15 | C16 | H57 | 53.8° | 60.0° |
| H56 | C15 | C16 | H58 | 173.1° | 180.0° |
| H57 | C16 | C17 | H59 | 157.6° | 180.0° |
| H57 | C16 | C17 | H60 | 83.4° | 60.1° |
| H58 | C16 | C17 | H59 | 38.2° | 60.0° |
| H58 | C16 | C17 | H60 | 157.3° | 180.0° |
| H59 | C17 | C18 | H61 | 59.5° | 60.0° |
| H59 | C17 | C18 | H62 | 179.5° | 60.0° |
| H59 | C17 | C18 | H63 | 60.5° | 180.0° |
| H60 | C17 | C18 | H61 | 59.5° | 180.0° |
| H60 | C17 | C18 | H62 | 60.5° | 60.0° |
| H60 | C17 | C18 | H63 | 179.6° | 60.1° |
| H61 | C18 | H62 | H63 | 120.0° | 120.0° |
