DJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | P24 | sing | 1.61Å | 1.51Å | |
| P24 | O27 | sing | 1.61Å | 1.65Å | |
| P24 | O25 | sing | 1.61Å | 1.51Å | |
| O27 | C28 | sing | 1.43Å | 1.40Å | |
| O33 | C32 | sing | 1.43Å | 1.40Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C32 | C29 | sing | 1.53Å | 1.54Å | |
| C32 | C34 | sing | 1.51Å | 1.53Å | |
| O40 | C39 | doub | 1.21Å | 1.19Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C34 | N36 | sing | 1.35Å | 1.45Å | |
| C34 | O35 | doub | 1.21Å | 1.19Å | |
| N36 | C37 | sing | 1.47Å | 1.45Å | |
| C39 | N41 | sing | 1.35Å | 1.45Å | |
| N41 | C42 | sing | 1.46Å | 1.45Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.35Å | 1.45Å | |
| O14 | C2 | doub | 1.21Å | 1.18Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.31Å | 1.32Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| O23 | H1 | sing | 0.97Å | 0.95Å | |
| O25 | H2 | sing | 0.97Å | 0.95Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| O33 | H12 | sing | 0.97Å | 0.95Å | |
| N36 | H13 | sing | 0.97Å | 1.00Å | |
| C37 | H14 | sing | 1.09Å | 1.10Å | |
| C37 | H15 | sing | 1.09Å | 1.10Å | |
| C38 | H16 | sing | 1.09Å | 1.10Å | |
| C38 | H17 | sing | 1.09Å | 1.10Å | |
| N41 | H18 | sing | 0.97Å | 1.00Å | |
| C42 | H19 | sing | 1.09Å | 1.10Å | |
| C42 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C11 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C13 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C16 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C6 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C7 | H46 | sing | 1.09Å | 1.10Å | |
| C7 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H49 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.09Å | 1.10Å | |
| C9 | H51 | sing | 1.09Å | 1.10Å | |
| N1 | H52 | sing | 0.97Å | 1.00Å | |
| P24 | O1 | doub | 1.48Å | 1.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | P24 | O27 | 111.0° | 109.5° |
| O23 | P24 | O25 | 110.8° | 109.5° |
| P24 | O23 | H1 | 109.5° | 114.0° |
| O23 | P24 | O1 | 109.4° | 109.5° |
| O27 | P24 | O25 | 111.6° | 109.5° |
| P24 | O27 | C28 | 119.5° | 123.0° |
| O27 | P24 | O1 | 104.3° | 109.5° |
| P24 | O25 | H2 | 109.5° | 114.0° |
| O25 | P24 | O1 | 109.5° | 109.5° |
| O27 | C28 | C29 | 108.5° | 109.5° |
| O27 | C28 | H3 | 109.7° | 109.4° |
| O27 | C28 | H4 | 109.7° | 109.5° |
| O33 | C32 | C29 | 108.6° | 109.5° |
| O33 | C32 | C34 | 108.5° | 109.5° |
| O33 | C32 | H11 | 109.9° | 109.4° |
| C32 | O33 | H12 | 109.5° | 113.9° |
| C28 | C29 | C32 | 108.9° | 109.4° |
| C28 | C29 | C31 | 107.8° | 109.5° |
| C28 | C29 | C30 | 109.4° | 109.5° |
| C29 | C28 | H3 | 109.7° | 109.5° |
| C29 | C28 | H4 | 109.7° | 109.5° |
| C29 | C32 | C34 | 113.4° | 109.5° |
| C32 | C29 | C31 | 111.4° | 109.5° |
| C32 | C29 | C30 | 110.1° | 109.5° |
| C29 | C32 | H11 | 108.1° | 109.5° |
| C32 | C34 | N36 | 120.1° | 120.0° |
| C32 | C34 | O35 | 121.9° | 120.0° |
| C34 | C32 | H11 | 108.2° | 109.4° |
| O40 | C39 | C38 | 119.5° | 120.0° |
| O40 | C39 | N41 | 120.4° | 120.0° |
| C31 | C29 | C30 | 109.2° | 109.5° |
| C29 | C31 | H8 | 109.5° | 109.5° |
| C29 | C31 | H9 | 109.5° | 109.4° |
| C29 | C31 | H10 | 109.4° | 109.5° |
| C29 | C30 | H5 | 109.5° | 109.5° |
| C29 | C30 | H6 | 109.5° | 109.4° |
| C29 | C30 | H7 | 109.5° | 109.5° |
| C39 | C38 | C37 | 110.9° | 109.5° |
| C38 | C39 | N41 | 120.1° | 120.0° |
| C39 | C38 | H16 | 109.1° | 109.5° |
| C39 | C38 | H17 | 109.1° | 109.4° |
| C38 | C37 | N36 | 110.7° | 109.5° |
| C38 | C37 | H14 | 109.2° | 109.5° |
| C38 | C37 | H15 | 109.2° | 109.5° |
| C37 | C38 | H16 | 109.1° | 109.5° |
| C37 | C38 | H17 | 109.1° | 109.5° |
| N36 | C34 | O35 | 118.0° | 120.0° |
| C34 | N36 | C37 | 118.7° | 120.0° |
| C34 | N36 | H13 | 120.6° | 120.0° |
| C37 | N36 | H13 | 120.6° | 120.0° |
| N36 | C37 | H14 | 109.2° | 109.4° |
| N36 | C37 | H15 | 109.2° | 109.5° |
| C39 | N41 | C42 | 120.1° | 120.0° |
| C39 | N41 | H18 | 119.9° | 119.9° |
| N41 | C42 | C43 | 109.9° | 109.5° |
| C42 | N41 | H18 | 119.9° | 120.1° |
| N41 | C42 | H19 | 109.4° | 109.5° |
| N41 | C42 | H20 | 109.4° | 109.4° |
| C42 | C43 | N1 | 110.8° | 109.5° |
| C43 | C42 | H19 | 109.4° | 109.5° |
| C43 | C42 | H20 | 109.3° | 109.4° |
| C42 | C43 | H21 | 109.1° | 109.5° |
| C42 | C43 | H22 | 109.1° | 109.4° |
| C43 | N1 | C2 | 119.3° | 120.0° |
| N1 | C43 | H21 | 109.1° | 109.5° |
| N1 | C43 | H22 | 109.1° | 109.5° |
| C43 | N1 | H52 | 120.3° | 120.0° |
| N1 | C2 | O14 | 120.1° | 120.0° |
| N1 | C2 | C3 | 120.0° | 120.0° |
| C2 | N1 | H52 | 120.4° | 120.0° |
| O14 | C2 | C3 | 119.9° | 120.0° |
| C2 | C3 | C4 | 112.5° | 109.5° |
| C2 | C3 | H38 | 108.7° | 109.5° |
| C2 | C3 | H39 | 108.7° | 109.5° |
| C3 | C4 | C5 | 111.3° | 109.5° |
| C4 | C3 | H38 | 108.7° | 109.4° |
| C4 | C3 | H39 | 108.7° | 109.4° |
| C3 | C4 | H40 | 109.0° | 109.5° |
| C3 | C4 | H41 | 109.0° | 109.5° |
| C4 | C5 | C6 | 111.4° | 109.5° |
| C5 | C4 | H40 | 109.1° | 109.4° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C4 | C5 | H42 | 109.0° | 109.5° |
| C4 | C5 | H43 | 109.0° | 109.5° |
| C5 | C6 | C7 | 112.8° | 109.5° |
| C6 | C5 | H42 | 109.0° | 109.4° |
| C6 | C5 | H43 | 109.0° | 109.5° |
| C5 | C6 | H44 | 108.6° | 109.4° |
| C5 | C6 | H45 | 108.6° | 109.4° |
| C6 | C7 | C8 | 111.4° | 109.4° |
| C7 | C6 | H44 | 108.6° | 109.5° |
| C7 | C6 | H45 | 108.6° | 109.5° |
| C6 | C7 | H46 | 109.0° | 109.5° |
| C6 | C7 | H47 | 109.0° | 109.5° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C8 | C7 | H46 | 109.0° | 109.5° |
| C8 | C7 | H47 | 109.0° | 109.5° |
| C7 | C8 | H48 | 108.7° | 109.5° |
| C7 | C8 | H49 | 108.7° | 109.5° |
| C8 | C9 | C10 | 113.0° | 109.4° |
| C9 | C8 | H48 | 108.7° | 109.5° |
| C9 | C8 | H49 | 108.7° | 109.5° |
| C8 | C9 | H50 | 108.6° | 109.5° |
| C8 | C9 | H51 | 108.5° | 109.5° |
| C9 | C10 | C11 | 119.6° | 120.0° |
| C9 | C10 | H25 | 120.2° | 120.1° |
| C10 | C9 | H50 | 108.6° | 109.5° |
| C10 | C9 | H51 | 108.6° | 109.5° |
| C10 | C11 | C12 | 119.9° | 120.0° |
| C11 | C10 | H25 | 120.2° | 120.0° |
| C10 | C11 | H26 | 120.0° | 120.0° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H26 | 120.0° | 120.0° |
| C11 | C12 | H27 | 108.8° | 109.5° |
| C11 | C12 | H28 | 108.8° | 109.5° |
| C12 | C13 | C1 | 112.2° | 109.5° |
| C13 | C12 | H27 | 108.8° | 109.4° |
| C13 | C12 | H28 | 108.8° | 109.5° |
| C12 | C13 | H29 | 108.8° | 109.5° |
| C12 | C13 | H30 | 108.8° | 109.5° |
| C13 | C1 | C14 | 111.9° | 109.5° |
| C13 | C1 | H23 | 108.8° | 109.4° |
| C13 | C1 | H24 | 108.9° | 109.5° |
| C1 | C13 | H29 | 108.8° | 109.5° |
| C1 | C13 | H30 | 108.8° | 109.4° |
| C1 | C14 | C15 | 112.0° | 109.5° |
| C14 | C1 | H23 | 108.9° | 109.5° |
| C14 | C1 | H24 | 108.8° | 109.5° |
| C1 | C14 | H31 | 108.8° | 109.5° |
| C1 | C14 | H32 | 108.9° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.5° |
| C15 | C14 | H31 | 108.8° | 109.5° |
| C15 | C14 | H32 | 108.8° | 109.5° |
| C14 | C15 | H33 | 108.7° | 109.5° |
| C14 | C15 | H34 | 108.7° | 109.5° |
| C16 | C15 | H33 | 108.7° | 109.5° |
| C16 | C15 | H34 | 108.7° | 109.4° |
| C15 | C16 | H35 | 109.5° | 109.5° |
| C15 | C16 | H36 | 109.5° | 109.4° |
| C15 | C16 | H37 | 109.5° | 109.5° |
| H3 | C28 | H4 | 109.5° | 109.5° |
| H5 | C30 | H6 | 109.4° | 109.5° |
| H5 | C30 | H7 | 109.5° | 109.5° |
| H6 | C30 | H7 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.4° | 109.5° |
| H8 | C31 | H10 | 109.5° | 109.6° |
| H9 | C31 | H10 | 109.5° | 109.5° |
| H14 | C37 | H15 | 109.4° | 109.5° |
| H16 | C38 | H17 | 109.5° | 109.5° |
| H19 | C42 | H20 | 109.5° | 109.5° |
| H21 | C43 | H22 | 109.5° | 109.4° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C13 | H30 | 109.4° | 109.4° |
| H31 | C14 | H32 | 109.5° | 109.4° |
| H33 | C15 | H34 | 109.5° | 109.5° |
| H35 | C16 | H36 | 109.5° | 109.4° |
| H35 | C16 | H37 | 109.5° | 109.5° |
| H36 | C16 | H37 | 109.4° | 109.5° |
| H38 | C3 | H39 | 109.5° | 109.4° |
| H40 | C4 | H41 | 109.5° | 109.5° |
| H42 | C5 | H43 | 109.5° | 109.4° |
| H44 | C6 | H45 | 109.5° | 109.5° |
| H46 | C7 | H47 | 109.5° | 109.4° |
| H48 | C8 | H49 | 109.5° | 109.5° |
| H50 | C9 | H51 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | P24 | O27 | O25 | 124.1° | 120.0° |
| O23 | P24 | O27 | O1 | 117.7° | 120.0° |
| O23 | P24 | O25 | O1 | 120.8° | 120.0° |
| O23 | P24 | O27 | C28 | 155.8° | 65.0° |
| O23 | P24 | O25 | H2 | 120.8° | 60.0° |
| O27 | P24 | O25 | O1 | 115.0° | 120.0° |
| P24 | O27 | C28 | C29 | 120.1° | 180.0° |
| O27 | P24 | O23 | H1 | 114.6° | 60.0° |
| O27 | P24 | O25 | H2 | 115.0° | 180.0° |
| P24 | O27 | C28 | H3 | 120.0° | 60.0° |
| P24 | O27 | C28 | H4 | 0.3° | 60.0° |
| O25 | P24 | O27 | C28 | 80.1° | 175.0° |
| O25 | P24 | O23 | H1 | 120.8° | 60.0° |
| O27 | C28 | C29 | H3 | 119.8° | 120.0° |
| O27 | C28 | C29 | H4 | 119.8° | 120.0° |
| O27 | C28 | C29 | C32 | 71.9° | 180.0° |
| O27 | C28 | C29 | C31 | 49.1° | 60.0° |
| O27 | C28 | C29 | C30 | 167.7° | 60.0° |
| O27 | C28 | H3 | H4 | 120.5° | 120.0° |
| C28 | O27 | P24 | O1 | 38.0° | 55.0° |
| O33 | C32 | C29 | C28 | 51.1° | 64.2° |
| O33 | C32 | C29 | C34 | 120.8° | 120.0° |
| O33 | C32 | C29 | H11 | 119.3° | 120.0° |
| O33 | C32 | C34 | H11 | 119.2° | 119.9° |
| O33 | C32 | C29 | C31 | 169.8° | 55.8° |
| O33 | C32 | C29 | C30 | 68.9° | 175.8° |
| O33 | C32 | C34 | N36 | 10.5° | 169.1° |
| O33 | C32 | C34 | O35 | 170.4° | 10.9° |
| C28 | C29 | C32 | C31 | 118.8° | 120.0° |
| C28 | C29 | C32 | C30 | 119.9° | 120.0° |
| C28 | C29 | C32 | C34 | 171.8° | 55.8° |
| C28 | C29 | C31 | C30 | 118.7° | 120.0° |
| C29 | C28 | H3 | H4 | 120.5° | 120.1° |
| C28 | C29 | C30 | H5 | 180.0° | 64.8° |
| C28 | C29 | C30 | H6 | 60.0° | 175.2° |
| C28 | C29 | C30 | H7 | 60.0° | 55.2° |
| C28 | C29 | C31 | H8 | 180.0° | 54.9° |
| C28 | C29 | C31 | H9 | 60.0° | 174.8° |
| C28 | C29 | C31 | H10 | 60.0° | 65.2° |
| C28 | C29 | C32 | H11 | 68.2° | 175.8° |
| C29 | C32 | C34 | H11 | 119.9° | 120.0° |
| C32 | C29 | C31 | C30 | 121.8° | 120.0° |
| C29 | C32 | C34 | N36 | 131.3° | 70.9° |
| C29 | C32 | C34 | O35 | 49.6° | 109.2° |
| C32 | C29 | C28 | H3 | 48.0° | 60.0° |
| C32 | C29 | C28 | H4 | 168.3° | 60.0° |
| C32 | C29 | C30 | H5 | 60.3° | 175.3° |
| C32 | C29 | C30 | H6 | 59.7° | 55.2° |
| C32 | C29 | C30 | H7 | 179.6° | 64.7° |
| C32 | C29 | C31 | H8 | 60.6° | 65.1° |
| C32 | C29 | C31 | H9 | 179.4° | 54.9° |
| C32 | C29 | C31 | H10 | 59.5° | 174.8° |
| C29 | C32 | O33 | H12 | 180.0° | 60.0° |
| C34 | C32 | C29 | C31 | 69.4° | 175.8° |
| C34 | C32 | C29 | C30 | 51.9° | 64.1° |
| C32 | C34 | N36 | O35 | 179.1° | 180.0° |
| C32 | C34 | N36 | C37 | 179.7° | 175.0° |
| C34 | C32 | O33 | H12 | 56.3° | 60.0° |
| C32 | C34 | N36 | H13 | 0.3° | 4.9° |
| O40 | C39 | C38 | N41 | 179.7° | 180.0° |
| O40 | C39 | C38 | C37 | 76.6° | 0.0° |
| O40 | C39 | N41 | C42 | 0.1° | 0.0° |
| O40 | C39 | C38 | H16 | 43.6° | 120.0° |
| O40 | C39 | C38 | H17 | 163.2° | 120.0° |
| O40 | C39 | N41 | H18 | 179.9° | 180.0° |
| C31 | C29 | C28 | H3 | 169.0° | 60.0° |
| C31 | C29 | C28 | H4 | 70.7° | 180.0° |
| C31 | C29 | C30 | H5 | 62.3° | 55.2° |
| C31 | C29 | C30 | H6 | 177.7° | 64.8° |
| C31 | C29 | C30 | H7 | 57.8° | 175.2° |
| C29 | C31 | H8 | H9 | 120.0° | 119.9° |
| C29 | C31 | H8 | H10 | 120.0° | 120.0° |
| C29 | C31 | H9 | H10 | 120.0° | 119.9° |
| C31 | C29 | C32 | H11 | 50.5° | 64.2° |
| C30 | C29 | C28 | H3 | 72.4° | 180.0° |
| C30 | C29 | C28 | H4 | 47.9° | 60.0° |
| C29 | C30 | H5 | H6 | 120.0° | 120.0° |
| C29 | C30 | H5 | H7 | 120.0° | 120.0° |
| C29 | C30 | H6 | H7 | 120.0° | 120.0° |
| C30 | C29 | C31 | H8 | 61.3° | 174.9° |
| C30 | C29 | C31 | H9 | 58.7° | 65.2° |
| C30 | C29 | C31 | H10 | 178.7° | 54.7° |
| C30 | C29 | C32 | H11 | 171.8° | 55.8° |
| C39 | C38 | C37 | H16 | 120.2° | 120.0° |
| C39 | C38 | C37 | H17 | 120.2° | 120.0° |
| C39 | C38 | C37 | N36 | 112.4° | 180.0° |
| C38 | C39 | N41 | C42 | 179.8° | 180.0° |
| C39 | C38 | C37 | H14 | 127.4° | 60.0° |
| C39 | C38 | C37 | H15 | 7.7° | 60.0° |
| C39 | C38 | H16 | H17 | 119.4° | 120.0° |
| C38 | C39 | N41 | H18 | 0.2° | 0.0° |
| C38 | C37 | N36 | C34 | 110.2° | 180.0° |
| C38 | C37 | N36 | H14 | 120.2° | 120.0° |
| C38 | C37 | N36 | H15 | 120.2° | 120.0° |
| C37 | C38 | C39 | N41 | 103.1° | 180.0° |
| C38 | C37 | N36 | H13 | 69.8° | 0.0° |
| C38 | C37 | H14 | H15 | 119.5° | 120.0° |
| C37 | C38 | H16 | H17 | 119.3° | 120.0° |
| C34 | N36 | C37 | H13 | 180.0° | 180.0° |
| N36 | C34 | C32 | H11 | 108.8° | 49.2° |
| C34 | N36 | C37 | H14 | 10.0° | 60.0° |
| C34 | N36 | C37 | H15 | 129.6° | 60.0° |
| O35 | C34 | N36 | C37 | 0.6° | 5.0° |
| O35 | C34 | C32 | H11 | 70.3° | 130.8° |
| O35 | C34 | N36 | H13 | 179.4° | 175.1° |
| N36 | C37 | H14 | H15 | 119.4° | 120.0° |
| N36 | C37 | C38 | H16 | 7.8° | 60.0° |
| N36 | C37 | C38 | H17 | 127.3° | 60.0° |
| C39 | N41 | C42 | H18 | 180.0° | 180.0° |
| C39 | N41 | C42 | C43 | 73.5° | 180.0° |
| N41 | C39 | C38 | H16 | 136.7° | 60.0° |
| N41 | C39 | C38 | H17 | 17.1° | 60.0° |
| C39 | N41 | C42 | H19 | 166.4° | 60.0° |
| C39 | N41 | C42 | H20 | 46.6° | 60.0° |
| N41 | C42 | C43 | H19 | 120.1° | 120.0° |
| N41 | C42 | C43 | H20 | 120.1° | 119.9° |
| N41 | C42 | C43 | N1 | 92.4° | 180.0° |
| N41 | C42 | H19 | H20 | 119.8° | 120.0° |
| N41 | C42 | C43 | H21 | 147.4° | 59.9° |
| N41 | C42 | C43 | H22 | 27.8° | 60.0° |
| C42 | C43 | N1 | H21 | 120.2° | 120.0° |
| C42 | C43 | N1 | H22 | 120.2° | 120.0° |
| C42 | C43 | N1 | C2 | 175.5° | 180.0° |
| C43 | C42 | N41 | H18 | 106.5° | 0.1° |
| C43 | C42 | H19 | H20 | 119.8° | 120.0° |
| C42 | C43 | H21 | H22 | 119.3° | 119.9° |
| C42 | C43 | N1 | H52 | 4.5° | 0.1° |
| C43 | N1 | C2 | H52 | 180.0° | 179.9° |
| C43 | N1 | C2 | O14 | 0.1° | 0.0° |
| C43 | N1 | C2 | C3 | 179.9° | 180.0° |
| N1 | C43 | C42 | H19 | 27.7° | 60.0° |
| N1 | C43 | C42 | H20 | 147.5° | 60.1° |
| N1 | C43 | H21 | H22 | 119.4° | 120.1° |
| N1 | C2 | O14 | C3 | 179.8° | 180.0° |
| N1 | C2 | C3 | C4 | 84.0° | 180.0° |
| C2 | N1 | C43 | H21 | 55.3° | 60.0° |
| C2 | N1 | C43 | H22 | 64.3° | 60.0° |
| N1 | C2 | C3 | H38 | 36.4° | 60.0° |
| N1 | C2 | C3 | H39 | 155.5° | 60.0° |
| O14 | C2 | C3 | C4 | 96.2° | 0.0° |
| O14 | C2 | C3 | H38 | 143.4° | 120.0° |
| O14 | C2 | C3 | H39 | 24.3° | 120.0° |
| O14 | C2 | N1 | H52 | 179.9° | 179.9° |
| C2 | C3 | C4 | H38 | 120.4° | 120.1° |
| C2 | C3 | C4 | H39 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 102.1° | 180.0° |
| C2 | C3 | H38 | H39 | 118.6° | 120.1° |
| C2 | C3 | C4 | H40 | 18.2° | 60.0° |
| C2 | C3 | C4 | H41 | 137.6° | 60.0° |
| C3 | C2 | N1 | H52 | 0.2° | 0.1° |
| C3 | C4 | C5 | H40 | 120.3° | 120.0° |
| C3 | C4 | C5 | H41 | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 53.1° | 180.0° |
| C4 | C3 | H38 | H39 | 118.6° | 119.9° |
| C3 | C4 | H40 | H41 | 119.2° | 120.0° |
| C3 | C4 | C5 | H42 | 67.2° | 60.0° |
| C3 | C4 | C5 | H43 | 173.4° | 60.0° |
| C4 | C5 | C6 | H42 | 120.3° | 120.0° |
| C4 | C5 | C6 | H43 | 120.3° | 120.1° |
| C4 | C5 | C6 | C7 | 161.8° | 180.0° |
| C5 | C4 | C3 | H38 | 137.5° | 60.0° |
| C5 | C4 | C3 | H39 | 18.3° | 59.9° |
| C5 | C4 | H40 | H41 | 119.2° | 120.0° |
| C4 | C5 | H42 | H43 | 119.1° | 120.0° |
| C4 | C5 | C6 | H44 | 41.3° | 60.0° |
| C4 | C5 | C6 | H45 | 77.7° | 60.0° |
| C5 | C6 | C7 | H44 | 120.5° | 120.0° |
| C5 | C6 | C7 | H45 | 120.5° | 120.0° |
| C5 | C6 | C7 | C8 | 170.9° | 180.0° |
| C6 | C5 | C4 | H40 | 173.4° | 60.0° |
| C6 | C5 | C4 | H41 | 67.1° | 60.0° |
| C6 | C5 | H42 | H43 | 119.1° | 119.9° |
| C5 | C6 | H44 | H45 | 118.5° | 119.9° |
| C5 | C6 | C7 | H46 | 68.8° | 60.0° |
| C5 | C6 | C7 | H47 | 50.6° | 60.0° |
| C6 | C7 | C8 | H46 | 120.3° | 120.0° |
| C6 | C7 | C8 | H47 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 122.0° | 180.0° |
| C7 | C6 | C5 | H42 | 77.9° | 60.0° |
| C7 | C6 | C5 | H43 | 41.5° | 59.9° |
| C7 | C6 | H44 | H45 | 118.5° | 120.1° |
| C6 | C7 | H46 | H47 | 119.1° | 120.0° |
| C6 | C7 | C8 | H48 | 1.5° | 60.0° |
| C6 | C7 | C8 | H49 | 117.6° | 60.0° |
| C7 | C8 | C9 | H48 | 120.4° | 120.0° |
| C7 | C8 | C9 | H49 | 120.5° | 120.0° |
| C7 | C8 | C9 | C10 | 25.0° | 180.0° |
| C8 | C7 | C6 | H44 | 50.4° | 60.0° |
| C8 | C7 | C6 | H45 | 68.6° | 60.0° |
| C8 | C7 | H46 | H47 | 119.1° | 120.0° |
| C7 | C8 | H48 | H49 | 118.6° | 120.0° |
| C7 | C8 | C9 | H50 | 145.5° | 60.0° |
| C7 | C8 | C9 | H51 | 95.6° | 60.0° |
| C8 | C9 | C10 | H50 | 120.6° | 120.0° |
| C8 | C9 | C10 | H51 | 120.5° | 120.0° |
| C8 | C9 | C10 | C11 | 123.6° | 127.0° |
| C8 | C9 | C10 | H25 | 56.4° | 53.0° |
| C9 | C8 | C7 | H46 | 117.7° | 60.0° |
| C9 | C8 | C7 | H47 | 1.7° | 60.0° |
| C9 | C8 | H48 | H49 | 118.6° | 120.0° |
| C8 | C9 | H50 | H51 | 118.3° | 120.0° |
| C9 | C10 | C11 | H25 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 7.4° |
| C9 | C10 | C11 | H26 | 180.0° | 172.7° |
| C10 | C9 | C8 | H48 | 95.5° | 60.0° |
| C10 | C9 | C8 | H49 | 145.4° | 60.0° |
| C10 | C9 | H50 | H51 | 118.4° | 120.1° |
| C10 | C11 | C12 | H26 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 161.5° | 127.0° |
| C10 | C11 | C12 | H27 | 78.1° | 113.0° |
| C10 | C11 | C12 | H28 | 41.1° | 7.0° |
| C11 | C10 | C9 | H50 | 115.9° | 113.0° |
| C11 | C10 | C9 | H51 | 3.1° | 7.0° |
| C11 | C12 | C13 | H27 | 120.4° | 120.0° |
| C11 | C12 | C13 | H28 | 120.4° | 120.0° |
| C11 | C12 | C13 | C1 | 132.1° | 180.0° |
| C12 | C11 | C10 | H25 | 179.9° | 172.6° |
| C11 | C12 | H27 | H28 | 118.8° | 120.0° |
| C11 | C12 | C13 | H29 | 107.5° | 60.0° |
| C11 | C12 | C13 | H30 | 11.6° | 60.0° |
| C12 | C13 | C1 | H29 | 120.4° | 120.0° |
| C12 | C13 | C1 | H30 | 120.4° | 120.0° |
| C12 | C13 | C1 | C14 | 158.8° | 180.0° |
| C12 | C13 | C1 | H23 | 38.4° | 60.0° |
| C12 | C13 | C1 | H24 | 80.9° | 60.0° |
| C13 | C12 | C11 | H26 | 18.5° | 52.9° |
| C13 | C12 | H27 | H28 | 118.8° | 120.0° |
| C12 | C13 | H29 | H30 | 118.8° | 120.1° |
| C13 | C1 | C14 | H23 | 120.4° | 119.9° |
| C13 | C1 | C14 | H24 | 120.4° | 120.0° |
| C13 | C1 | C14 | C15 | 164.4° | 180.0° |
| C13 | C1 | H23 | H24 | 118.9° | 120.0° |
| C1 | C13 | C12 | H27 | 11.7° | 60.0° |
| C1 | C13 | C12 | H28 | 107.5° | 60.0° |
| C1 | C13 | H29 | H30 | 118.7° | 119.9° |
| C13 | C1 | C14 | H31 | 44.1° | 60.0° |
| C13 | C1 | C14 | H32 | 75.2° | 60.0° |
| C1 | C14 | C15 | H31 | 120.4° | 120.0° |
| C1 | C14 | C15 | H32 | 120.4° | 120.0° |
| C1 | C14 | C15 | C16 | 164.1° | 180.0° |
| C14 | C1 | H23 | H24 | 118.9° | 120.0° |
| C14 | C1 | C13 | H29 | 80.8° | 60.0° |
| C14 | C1 | C13 | H30 | 38.3° | 60.0° |
| C1 | C14 | H31 | H32 | 118.9° | 120.0° |
| C1 | C14 | C15 | H33 | 43.7° | 60.0° |
| C1 | C14 | C15 | H34 | 75.4° | 60.0° |
| C14 | C15 | C16 | H33 | 120.4° | 120.0° |
| C14 | C15 | C16 | H34 | 120.5° | 120.0° |
| C15 | C14 | C1 | H23 | 75.2° | 60.0° |
| C15 | C14 | C1 | H24 | 44.1° | 60.0° |
| C15 | C14 | H31 | H32 | 118.8° | 120.0° |
| C14 | C15 | H33 | H34 | 118.6° | 120.0° |
| C14 | C15 | C16 | H35 | 180.0° | 59.9° |
| C14 | C15 | C16 | H36 | 60.0° | 60.0° |
| C14 | C15 | C16 | H37 | 60.0° | 180.0° |
| C16 | C15 | C14 | H31 | 75.5° | 59.9° |
| C16 | C15 | C14 | H32 | 43.7° | 60.0° |
| C16 | C15 | H33 | H34 | 118.6° | 119.9° |
| C15 | C16 | H35 | H36 | 120.0° | 120.0° |
| C15 | C16 | H35 | H37 | 120.0° | 120.1° |
| C15 | C16 | H36 | H37 | 120.0° | 120.0° |
| H1 | O23 | P24 | O1 | 0.0° | 180.0° |
| H2 | O25 | P24 | O1 | 0.0° | 60.0° |
| H5 | C30 | H6 | H7 | 120.0° | 120.1° |
| H8 | C31 | H9 | H10 | 120.0° | 120.1° |
| H11 | C32 | O33 | H12 | 61.8° | 179.9° |
| H13 | N36 | C37 | H14 | 170.0° | 120.0° |
| H13 | N36 | C37 | H15 | 50.4° | 120.0° |
| H14 | C37 | C38 | H16 | 112.4° | 180.0° |
| H14 | C37 | C38 | H17 | 7.2° | 60.0° |
| H15 | C37 | C38 | H16 | 127.9° | 60.0° |
| H15 | C37 | C38 | H17 | 112.5° | 180.0° |
| H18 | N41 | C42 | H19 | 13.6° | 120.0° |
| H18 | N41 | C42 | H20 | 133.4° | 120.0° |
| H19 | C42 | C43 | H21 | 92.5° | 180.0° |
| H19 | C42 | C43 | H22 | 147.9° | 60.1° |
| H20 | C42 | C43 | H21 | 27.3° | 60.0° |
| H20 | C42 | C43 | H22 | 92.3° | 179.9° |
| H21 | C43 | N1 | H52 | 124.7° | 119.9° |
| H22 | C43 | N1 | H52 | 115.7° | 120.1° |
| H23 | C1 | C13 | H29 | 158.8° | 60.0° |
| H23 | C1 | C13 | H30 | 82.0° | 179.9° |
| H23 | C1 | C14 | H31 | 164.4° | 180.0° |
| H23 | C1 | C14 | H32 | 45.2° | 60.0° |
| H24 | C1 | C13 | H29 | 39.6° | 180.0° |
| H24 | C1 | C13 | H30 | 158.7° | 60.1° |
| H24 | C1 | C14 | H31 | 76.3° | 60.0° |
| H24 | C1 | C14 | H32 | 164.4° | 180.0° |
| H25 | C10 | C11 | H26 | 0.0° | 7.4° |
| H25 | C10 | C9 | H50 | 64.2° | 67.0° |
| H25 | C10 | C9 | H51 | 176.9° | 173.0° |
| H26 | C11 | C12 | H27 | 101.9° | 67.0° |
| H26 | C11 | C12 | H28 | 138.9° | 173.0° |
| H27 | C12 | C13 | H29 | 132.1° | 60.0° |
| H27 | C12 | C13 | H30 | 108.7° | 180.0° |
| H28 | C12 | C13 | H29 | 12.9° | 180.0° |
| H28 | C12 | C13 | H30 | 132.1° | 60.0° |
| H31 | C14 | C15 | H33 | 164.1° | 180.0° |
| H31 | C14 | C15 | H34 | 45.0° | 60.0° |
| H32 | C14 | C15 | H33 | 76.7° | 60.0° |
| H32 | C14 | C15 | H34 | 164.2° | 180.0° |
| H33 | C15 | C16 | H35 | 59.6° | 180.0° |
| H33 | C15 | C16 | H36 | 179.6° | 60.0° |
| H33 | C15 | C16 | H37 | 60.5° | 59.9° |
| H34 | C15 | C16 | H35 | 59.5° | 60.0° |
| H34 | C15 | C16 | H36 | 60.5° | 180.0° |
| H34 | C15 | C16 | H37 | 179.6° | 60.0° |
| H35 | C16 | H36 | H37 | 120.0° | 120.0° |
| H38 | C3 | C4 | H40 | 102.2° | 179.9° |
| H38 | C3 | C4 | H41 | 17.2° | 60.1° |
| H39 | C3 | C4 | H40 | 138.6° | 60.1° |
| H39 | C3 | C4 | H41 | 101.9° | 180.0° |
| H40 | C4 | C5 | H42 | 53.1° | 180.0° |
| H40 | C4 | C5 | H43 | 66.3° | 60.0° |
| H41 | C4 | C5 | H42 | 172.6° | 60.0° |
| H41 | C4 | C5 | H43 | 53.2° | 180.0° |
| H42 | C5 | C6 | H44 | 161.5° | 180.0° |
| H42 | C5 | C6 | H45 | 42.6° | 60.1° |
| H43 | C5 | C6 | H44 | 79.1° | 60.1° |
| H43 | C5 | C6 | H45 | 162.0° | 180.0° |
| H44 | C6 | C7 | H46 | 170.7° | 180.0° |
| H44 | C6 | C7 | H47 | 69.9° | 60.0° |
| H45 | C6 | C7 | H46 | 51.7° | 60.0° |
| H45 | C6 | C7 | H47 | 171.1° | 179.9° |
| H46 | C7 | C8 | H48 | 121.8° | 180.0° |
| H46 | C7 | C8 | H49 | 2.7° | 60.0° |
| H47 | C7 | C8 | H48 | 118.8° | 60.0° |
| H47 | C7 | C8 | H49 | 122.1° | 180.0° |
| H48 | C8 | C9 | H50 | 25.1° | 60.0° |
| H48 | C8 | C9 | H51 | 144.0° | 180.0° |
| H49 | C8 | C9 | H50 | 94.0° | 180.0° |
| H49 | C8 | C9 | H51 | 24.9° | 60.0° |
