A1IF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P23 | doub | 1.48Å | 0.00Å | |
| O48 | P23 | sing | 1.61Å | 0.00Å | |
| P23 | O22 | sing | 1.61Å | 0.00Å | |
| P23 | O25 | sing | 1.61Å | 0.00Å | |
| O22 | P20 | sing | 1.61Å | 0.00Å | |
| O21 | P20 | doub | 1.48Å | 0.00Å | |
| P20 | O19 | sing | 1.61Å | 0.00Å | |
| P20 | O49 | sing | 1.61Å | 0.00Å | |
| O19 | P17 | sing | 1.61Å | 0.00Å | |
| O25 | P26 | sing | 1.61Å | 0.00Å | |
| O18 | P17 | doub | 1.48Å | 0.00Å | |
| O27 | P26 | doub | 1.48Å | 0.00Å | |
| N38 | C39 | doub | 1.30Å | 0.00Å | Aromatic |
| N38 | C37 | sing | 1.35Å | 0.00Å | Aromatic |
| N44 | C40 | sing | 1.38Å | 0.00Å | |
| C15 | C14 | sing | 1.53Å | 0.00Å | |
| C15 | O16 | sing | 1.43Å | 0.00Å | |
| C39 | N35 | sing | 1.36Å | 0.00Å | Aromatic |
| P17 | O16 | sing | 1.61Å | 0.00Å | |
| P17 | O50 | sing | 1.61Å | 0.00Å | |
| O46 | C31 | sing | 1.43Å | 0.00Å | |
| P26 | O47 | sing | 1.61Å | 0.00Å | |
| P26 | O28 | sing | 1.61Å | 0.00Å | |
| C37 | C40 | doub | 1.41Å | 0.00Å | Aromatic |
| C37 | C36 | sing | 1.41Å | 0.00Å | Aromatic |
| C31 | C32 | sing | 1.55Å | 0.00Å | |
| C31 | C30 | sing | 1.54Å | 0.00Å | |
| C32 | O45 | sing | 1.43Å | 0.00Å | |
| C32 | C33 | sing | 1.55Å | 0.00Å | |
| C14 | O13 | sing | 1.44Å | 0.00Å | |
| C14 | C51 | sing | 1.54Å | 0.00Å | |
| O13 | C12 | sing | 1.44Å | 0.00Å | |
| C40 | N41 | sing | 1.33Å | 0.00Å | Aromatic |
| N35 | C36 | sing | 1.37Å | 0.00Å | Aromatic |
| N35 | C33 | sing | 1.47Å | 0.00Å | |
| C36 | N43 | doub | 1.33Å | 0.00Å | Aromatic |
| O28 | C29 | sing | 1.43Å | 0.00Å | |
| C33 | O34 | sing | 1.44Å | 0.00Å | |
| N41 | C42 | doub | 1.32Å | 0.00Å | Aromatic |
| C12 | N11 | sing | 1.46Å | 0.00Å | |
| C12 | C53 | sing | 1.55Å | 0.00Å | |
| C30 | C29 | sing | 1.53Å | 0.00Å | |
| C30 | O34 | sing | 1.44Å | 0.00Å | |
| C51 | O52 | sing | 1.43Å | 0.00Å | |
| C51 | C53 | sing | 1.55Å | 0.00Å | |
| O54 | C53 | sing | 1.43Å | 0.00Å | |
| N43 | C42 | sing | 1.32Å | 0.00Å | Aromatic |
| N11 | C10 | sing | 1.37Å | 0.00Å | Aromatic |
| N11 | C7 | sing | 1.37Å | 0.00Å | Aromatic |
| C10 | N9 | doub | 1.30Å | 0.00Å | Aromatic |
| C7 | N6 | sing | 1.34Å | 0.00Å | |
| C7 | C8 | doub | 1.40Å | 0.00Å | Aromatic |
| N6 | C4 | doub | 1.31Å | 0.00Å | |
| N9 | C8 | sing | 1.35Å | 0.00Å | Aromatic |
| C8 | C2 | sing | 1.41Å | 0.00Å | |
| C4 | N5 | sing | 1.37Å | 0.00Å | |
| C4 | N3 | sing | 1.36Å | 0.00Å | |
| C2 | N3 | sing | 1.35Å | 0.00Å | |
| C2 | O1 | doub | 1.22Å | 0.00Å | |
| N3 | H1 | sing | 0.97Å | 0.00Å | |
| C10 | H2 | sing | 1.08Å | 0.00Å | |
| C12 | H3 | sing | 1.09Å | 0.00Å | |
| C14 | H4 | sing | 1.09Å | 0.00Å | |
| C15 | H5 | sing | 1.09Å | 0.00Å | |
| C15 | H6 | sing | 1.09Å | 0.00Å | |
| C29 | H7 | sing | 1.09Å | 0.00Å | |
| C29 | H8 | sing | 1.09Å | 0.00Å | |
| C30 | H9 | sing | 1.09Å | 0.00Å | |
| C31 | H10 | sing | 1.09Å | 0.00Å | |
| C32 | H11 | sing | 1.09Å | 0.00Å | |
| C33 | H12 | sing | 1.09Å | 0.00Å | |
| C39 | H13 | sing | 1.08Å | 0.00Å | |
| C42 | H14 | sing | 1.08Å | 0.00Å | |
| C51 | H15 | sing | 1.09Å | 0.00Å | |
| C53 | H16 | sing | 1.09Å | 0.00Å | |
| N44 | H17 | sing | 0.97Å | 0.00Å | |
| N44 | H18 | sing | 0.97Å | 0.00Å | |
| N5 | H19 | sing | 0.97Å | 0.00Å | |
| N5 | H20 | sing | 0.97Å | 0.00Å | |
| O45 | H21 | sing | 0.97Å | 0.00Å | |
| O46 | H22 | sing | 0.97Å | 0.00Å | |
| O47 | H23 | sing | 0.97Å | 0.00Å | |
| O48 | H24 | sing | 0.97Å | 0.00Å | |
| O49 | H25 | sing | 0.97Å | 0.00Å | |
| O50 | H26 | sing | 0.97Å | 0.00Å | |
| O52 | H27 | sing | 0.97Å | 0.00Å | |
| O54 | H28 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P23 | O48 | 90.0° | 109.4° |
| O24 | P23 | O22 | 90.0° | 109.5° |
| O24 | P23 | O25 | 90.0° | 109.5° |
| O48 | P23 | O22 | 90.0° | 109.4° |
| O48 | P23 | O25 | 90.0° | 109.5° |
| P23 | O48 | H24 | 90.0° | 114.0° |
| O22 | P23 | O25 | 90.0° | 109.5° |
| P23 | O22 | P20 | 90.0° | 134.0° |
| P23 | O25 | P26 | 90.0° | 134.0° |
| O22 | P20 | O21 | 90.0° | 109.5° |
| O22 | P20 | O19 | 90.0° | 109.5° |
| O22 | P20 | O49 | 90.0° | 109.5° |
| O21 | P20 | O19 | 90.0° | 109.5° |
| O21 | P20 | O49 | 90.0° | 109.5° |
| O19 | P20 | O49 | 90.0° | 109.5° |
| P20 | O19 | P17 | 90.0° | 134.0° |
| P20 | O49 | H25 | 90.0° | 114.0° |
| O19 | P17 | O18 | 90.0° | 109.4° |
| O19 | P17 | O16 | 90.0° | 109.5° |
| O19 | P17 | O50 | 90.0° | 109.5° |
| O25 | P26 | O27 | 90.0° | 109.5° |
| O25 | P26 | O47 | 90.0° | 109.5° |
| O25 | P26 | O28 | 90.0° | 109.5° |
| O18 | P17 | O16 | 90.0° | 109.5° |
| O18 | P17 | O50 | 90.0° | 109.5° |
| O27 | P26 | O47 | 90.0° | 109.5° |
| O27 | P26 | O28 | 90.0° | 109.5° |
| C39 | N38 | C37 | 90.0° | 109.5° |
| N38 | C39 | N35 | 90.0° | 109.9° |
| N38 | C39 | H13 | 90.0° | 125.1° |
| N38 | C37 | C40 | 90.0° | 134.7° |
| N38 | C37 | C36 | 90.0° | 107.2° |
| N44 | C40 | C37 | 90.0° | 120.7° |
| N44 | C40 | N41 | 90.0° | 120.8° |
| C40 | N44 | H17 | 90.0° | 120.0° |
| C40 | N44 | H18 | 90.0° | 119.9° |
| C14 | C15 | O16 | 90.0° | 109.5° |
| C15 | C14 | O13 | 90.0° | 109.9° |
| C15 | C14 | C51 | 90.0° | 109.9° |
| C15 | C14 | H4 | 90.0° | 110.0° |
| C14 | C15 | H5 | 90.0° | 109.5° |
| C14 | C15 | H6 | 90.0° | 109.5° |
| C15 | O16 | P17 | 90.0° | 123.0° |
| O16 | C15 | H5 | 90.0° | 109.5° |
| O16 | C15 | H6 | 90.0° | 109.5° |
| C39 | N35 | C36 | 90.0° | 107.5° |
| C39 | N35 | C33 | 90.0° | 126.3° |
| N35 | C39 | H13 | 90.0° | 125.0° |
| O16 | P17 | O50 | 90.0° | 109.5° |
| P17 | O50 | H26 | 90.0° | 114.0° |
| O46 | C31 | C32 | 90.0° | 110.5° |
| O46 | C31 | C30 | 90.0° | 110.5° |
| O46 | C31 | H10 | 90.0° | 110.5° |
| C31 | O46 | H22 | 90.0° | 114.0° |
| O47 | P26 | O28 | 90.0° | 109.5° |
| P26 | O47 | H23 | 90.0° | 114.0° |
| P26 | O28 | C29 | 90.0° | 123.0° |
| C40 | C37 | C36 | 90.0° | 118.1° |
| C37 | C40 | N41 | 90.0° | 118.5° |
| C37 | C36 | N35 | 90.0° | 106.0° |
| C37 | C36 | N43 | 90.0° | 119.1° |
| C32 | C31 | C30 | 90.0° | 104.2° |
| C31 | C32 | O45 | 90.0° | 111.0° |
| C31 | C32 | C33 | 90.0° | 102.0° |
| C32 | C31 | H10 | 90.0° | 110.5° |
| C31 | C32 | H11 | 90.0° | 110.9° |
| C31 | C30 | C29 | 90.0° | 109.8° |
| C31 | C30 | O34 | 90.0° | 107.3° |
| C31 | C30 | H9 | 90.0° | 110.0° |
| C30 | C31 | H10 | 90.0° | 110.5° |
| O45 | C32 | C33 | 90.0° | 110.9° |
| O45 | C32 | H11 | 90.0° | 110.9° |
| C32 | O45 | H21 | 90.0° | 114.0° |
| C32 | C33 | N35 | 90.0° | 110.6° |
| C32 | C33 | O34 | 90.0° | 103.5° |
| C33 | C32 | H11 | 90.0° | 110.9° |
| C32 | C33 | H12 | 90.0° | 110.6° |
| O13 | C14 | C51 | 90.0° | 107.3° |
| C14 | O13 | C12 | 90.0° | 107.0° |
| O13 | C14 | H4 | 90.0° | 109.8° |
| C14 | C51 | O52 | 90.0° | 110.5° |
| C14 | C51 | C53 | 90.0° | 104.2° |
| C51 | C14 | H4 | 90.0° | 109.9° |
| C14 | C51 | H15 | 90.0° | 110.5° |
| O13 | C12 | N11 | 90.0° | 110.6° |
| O13 | C12 | C53 | 90.0° | 103.5° |
| O13 | C12 | H3 | 90.0° | 110.7° |
| C40 | N41 | C42 | 90.0° | 121.2° |
| C36 | N35 | C33 | 90.0° | 126.3° |
| N35 | C36 | N43 | 90.0° | 134.9° |
| N35 | C33 | O34 | 90.0° | 110.6° |
| N35 | C33 | H12 | 90.0° | 110.6° |
| C36 | N43 | C42 | 90.0° | 120.6° |
| O28 | C29 | C30 | 90.0° | 109.5° |
| O28 | C29 | H7 | 90.0° | 109.4° |
| O28 | C29 | H8 | 90.0° | 109.4° |
| C33 | O34 | C30 | 90.0° | 107.0° |
| O34 | C33 | H12 | 90.0° | 110.6° |
| N41 | C42 | N43 | 90.0° | 122.5° |
| N41 | C42 | H14 | 90.0° | 118.8° |
| N11 | C12 | C53 | 90.0° | 110.6° |
| C12 | N11 | C10 | 90.0° | 126.2° |
| C12 | N11 | C7 | 90.0° | 126.3° |
| N11 | C12 | H3 | 90.0° | 110.6° |
| C12 | C53 | C51 | 90.0° | 102.1° |
| C12 | C53 | O54 | 90.0° | 110.9° |
| C53 | C12 | H3 | 90.0° | 110.6° |
| C12 | C53 | H16 | 90.0° | 110.9° |
| C29 | C30 | O34 | 90.0° | 109.9° |
| C30 | C29 | H7 | 90.0° | 109.5° |
| C30 | C29 | H8 | 90.0° | 109.5° |
| C29 | C30 | H9 | 90.0° | 109.8° |
| O34 | C30 | H9 | 90.0° | 109.9° |
| O52 | C51 | C53 | 90.0° | 110.5° |
| O52 | C51 | H15 | 90.0° | 110.4° |
| C51 | O52 | H27 | 90.0° | 114.0° |
| C51 | C53 | O54 | 90.0° | 110.9° |
| C53 | C51 | H15 | 90.0° | 110.6° |
| C51 | C53 | H16 | 90.0° | 110.9° |
| O54 | C53 | H16 | 90.0° | 110.8° |
| C53 | O54 | H28 | 90.0° | 114.0° |
| N43 | C42 | H14 | 90.0° | 118.8° |
| C10 | N11 | C7 | 90.0° | 107.5° |
| N11 | C10 | N9 | 90.0° | 109.8° |
| N11 | C10 | H2 | 90.0° | 125.1° |
| N11 | C7 | N6 | 90.0° | 134.2° |
| N11 | C7 | C8 | 90.0° | 106.1° |
| C10 | N9 | C8 | 90.0° | 109.4° |
| N9 | C10 | H2 | 90.0° | 125.1° |
| N6 | C7 | C8 | 90.0° | 119.7° |
| C7 | N6 | C4 | 90.0° | 121.2° |
| C7 | C8 | N9 | 90.0° | 107.3° |
| C7 | C8 | C2 | 90.0° | 118.6° |
| N6 | C4 | N5 | 90.0° | 119.1° |
| N6 | C4 | N3 | 90.0° | 121.9° |
| N9 | C8 | C2 | 90.0° | 134.2° |
| C8 | C2 | N3 | 90.0° | 118.3° |
| C8 | C2 | O1 | 90.0° | 120.8° |
| N5 | C4 | N3 | 90.0° | 119.0° |
| C4 | N5 | H19 | 90.0° | 120.0° |
| C4 | N5 | H20 | 90.0° | 120.0° |
| C4 | N3 | C2 | 90.0° | 120.3° |
| C4 | N3 | H1 | 90.0° | 119.9° |
| N3 | C2 | O1 | 90.0° | 120.9° |
| C2 | N3 | H1 | 90.0° | 119.8° |
| H5 | C15 | H6 | 90.0° | 109.5° |
| H7 | C29 | H8 | 90.0° | 109.5° |
| H17 | N44 | H18 | 90.0° | 120.1° |
| H19 | N5 | H20 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P23 | O48 | O22 | 90.0° | 120.0° |
| O24 | P23 | O48 | O25 | 90.0° | 120.0° |
| O24 | P23 | O22 | O25 | 90.0° | 120.1° |
| O24 | P23 | O22 | P20 | 90.0° | 39.9° |
| O24 | P23 | O25 | P26 | 90.0° | 45.0° |
| O24 | P23 | O48 | H24 | 90.0° | 180.0° |
| O48 | P23 | O22 | O25 | 90.0° | 120.0° |
| O48 | P23 | O22 | P20 | 90.0° | 80.0° |
| O48 | P23 | O25 | P26 | 90.0° | 75.0° |
| P23 | O22 | P20 | O21 | 90.0° | 40.1° |
| P23 | O22 | P20 | O19 | 90.0° | 160.1° |
| P23 | O22 | P20 | O49 | 90.0° | 79.9° |
| O22 | P23 | O25 | P26 | 90.0° | 165.0° |
| O22 | P23 | O48 | H24 | 90.0° | 60.0° |
| O25 | P23 | O22 | P20 | 90.0° | 160.0° |
| P23 | O25 | P26 | O27 | 90.0° | 40.0° |
| P23 | O25 | P26 | O47 | 90.0° | 80.0° |
| P23 | O25 | P26 | O28 | 90.0° | 160.0° |
| O25 | P23 | O48 | H24 | 90.0° | 60.0° |
| O22 | P20 | O21 | O19 | 90.0° | 120.0° |
| O22 | P20 | O21 | O49 | 90.0° | 120.0° |
| O22 | P20 | O19 | O49 | 90.0° | 120.0° |
| O22 | P20 | O19 | P17 | 90.0° | 164.9° |
| O22 | P20 | O49 | H25 | 90.0° | 60.0° |
| O21 | P20 | O19 | O49 | 90.0° | 120.0° |
| O21 | P20 | O19 | P17 | 90.0° | 44.9° |
| O21 | P20 | O49 | H25 | 90.0° | 180.0° |
| P20 | O19 | P17 | O18 | 90.0° | 45.1° |
| P20 | O19 | P17 | O16 | 90.0° | 165.0° |
| P20 | O19 | P17 | O50 | 90.0° | 74.9° |
| O19 | P20 | O49 | H25 | 90.0° | 60.0° |
| O49 | P20 | O19 | P17 | 90.0° | 75.1° |
| O19 | P17 | O18 | O16 | 90.0° | 120.0° |
| O19 | P17 | O18 | O50 | 90.0° | 120.0° |
| O19 | P17 | O16 | C15 | 90.0° | 175.0° |
| O19 | P17 | O16 | O50 | 90.0° | 120.0° |
| O19 | P17 | O50 | H26 | 90.0° | 60.0° |
| O25 | P26 | O27 | O47 | 90.0° | 120.0° |
| O25 | P26 | O27 | O28 | 90.0° | 120.0° |
| O25 | P26 | O47 | O28 | 90.0° | 120.0° |
| O25 | P26 | O28 | C29 | 90.0° | 175.0° |
| O25 | P26 | O47 | H23 | 90.0° | 60.0° |
| O18 | P17 | O16 | C15 | 90.0° | 55.0° |
| O18 | P17 | O16 | O50 | 90.0° | 120.0° |
| O18 | P17 | O50 | H26 | 90.0° | 180.0° |
| O27 | P26 | O47 | O28 | 90.0° | 120.0° |
| O27 | P26 | O28 | C29 | 90.0° | 55.0° |
| O27 | P26 | O47 | H23 | 90.0° | 180.0° |
| N38 | C39 | N35 | H13 | 90.0° | 179.7° |
| C39 | N38 | C37 | C40 | 90.0° | 179.9° |
| C39 | N38 | C37 | C36 | 90.0° | 0.1° |
| N38 | C39 | N35 | C36 | 90.0° | 0.3° |
| N38 | C39 | N35 | C33 | 90.0° | 180.0° |
| N38 | C37 | C40 | N44 | 90.0° | 0.0° |
| C37 | N38 | C39 | N35 | 90.0° | 0.1° |
| N38 | C37 | C40 | C36 | 90.0° | 180.0° |
| N38 | C37 | C40 | N41 | 90.0° | 180.0° |
| N38 | C37 | C36 | N35 | 90.0° | 0.2° |
| N38 | C37 | C36 | N43 | 90.0° | 180.0° |
| C37 | N38 | C39 | H13 | 90.0° | 179.8° |
| N44 | C40 | C37 | N41 | 90.0° | 180.0° |
| N44 | C40 | C37 | C36 | 90.0° | 180.0° |
| N44 | C40 | N41 | C42 | 90.0° | 180.0° |
| C40 | N44 | H17 | H18 | 90.0° | 179.9° |
| C14 | C15 | O16 | H5 | 90.0° | 120.0° |
| C14 | C15 | O16 | H6 | 90.0° | 120.0° |
| C14 | C15 | O16 | P17 | 90.0° | 180.0° |
| C15 | C14 | O13 | C51 | 90.0° | 119.4° |
| C15 | C14 | O13 | H4 | 90.0° | 121.1° |
| C15 | C14 | C51 | H4 | 90.0° | 121.2° |
| C15 | C14 | O13 | C12 | 90.0° | 145.9° |
| C15 | C14 | C51 | O52 | 90.0° | 119.9° |
| C15 | C14 | C51 | C53 | 90.0° | 121.5° |
| C14 | C15 | H5 | H6 | 90.0° | 120.0° |
| C15 | C14 | C51 | H15 | 90.0° | 2.6° |
| C15 | O16 | P17 | O50 | 90.0° | 65.0° |
| O16 | C15 | C14 | O13 | 90.0° | 66.4° |
| O16 | C15 | C14 | C51 | 90.0° | 175.7° |
| O16 | C15 | C14 | H4 | 90.0° | 54.6° |
| O16 | C15 | H5 | H6 | 90.0° | 120.0° |
| C39 | N35 | C36 | C37 | 90.0° | 0.3° |
| C39 | N35 | C33 | C32 | 90.0° | 95.0° |
| C39 | N35 | C36 | C33 | 90.0° | 179.7° |
| C39 | N35 | C36 | N43 | 90.0° | 179.9° |
| C39 | N35 | C33 | O34 | 90.0° | 19.1° |
| C39 | N35 | C33 | H12 | 90.0° | 142.1° |
| P17 | O16 | C15 | H5 | 90.0° | 60.0° |
| P17 | O16 | C15 | H6 | 90.0° | 60.0° |
| O16 | P17 | O50 | H26 | 90.0° | 60.0° |
| O46 | C31 | C32 | C30 | 90.0° | 118.7° |
| O46 | C31 | C32 | H10 | 90.0° | 122.6° |
| O46 | C31 | C30 | H10 | 90.0° | 122.7° |
| O46 | C31 | C32 | O45 | 90.0° | 20.3° |
| O46 | C31 | C32 | C33 | 90.0° | 97.9° |
| O46 | C31 | C30 | C29 | 90.0° | 119.9° |
| O46 | C31 | C30 | O34 | 90.0° | 120.7° |
| O46 | C31 | C30 | H9 | 90.0° | 1.1° |
| O46 | C31 | C32 | H11 | 90.0° | 144.0° |
| O47 | P26 | O28 | C29 | 90.0° | 65.0° |
| P26 | O28 | C29 | C30 | 90.0° | 180.0° |
| P26 | O28 | C29 | H7 | 90.0° | 60.0° |
| P26 | O28 | C29 | H8 | 90.0° | 60.0° |
| O28 | P26 | O47 | H23 | 90.0° | 60.0° |
| C40 | C37 | C36 | N35 | 90.0° | 179.8° |
| C40 | C37 | C36 | N43 | 90.0° | 0.0° |
| C37 | C40 | N41 | C42 | 90.0° | 0.0° |
| C37 | C40 | N44 | H17 | 90.0° | 0.0° |
| C37 | C40 | N44 | H18 | 90.0° | 180.0° |
| C36 | C37 | C40 | N41 | 90.0° | 0.0° |
| C37 | C36 | N35 | N43 | 90.0° | 179.8° |
| C37 | C36 | N35 | C33 | 90.0° | 180.0° |
| C37 | C36 | N43 | C42 | 90.0° | 0.0° |
| C32 | C31 | C30 | H10 | 90.0° | 118.7° |
| C31 | C32 | O45 | C33 | 90.0° | 112.7° |
| C31 | C32 | O45 | H11 | 90.0° | 123.6° |
| C31 | C32 | C33 | H11 | 90.0° | 118.1° |
| C31 | C32 | C33 | N35 | 90.0° | 155.5° |
| C31 | C32 | C33 | O34 | 90.0° | 37.0° |
| C32 | C31 | C30 | C29 | 90.0° | 121.5° |
| C32 | C31 | C30 | O34 | 90.0° | 2.0° |
| C32 | C31 | C30 | H9 | 90.0° | 117.5° |
| C31 | C32 | C33 | H12 | 90.0° | 81.5° |
| C31 | C32 | O45 | H21 | 90.0° | 61.5° |
| C32 | C31 | O46 | H22 | 90.0° | 61.4° |
| C30 | C31 | C32 | O45 | 90.0° | 139.0° |
| C30 | C31 | C32 | C33 | 90.0° | 20.8° |
| C31 | C30 | C29 | O28 | 90.0° | 175.7° |
| C31 | C30 | O34 | C33 | 90.0° | 26.5° |
| C31 | C30 | C29 | O34 | 90.0° | 117.9° |
| C31 | C30 | C29 | H9 | 90.0° | 121.1° |
| C31 | C30 | O34 | H9 | 90.0° | 119.6° |
| C31 | C30 | C29 | H7 | 90.0° | 55.7° |
| C31 | C30 | C29 | H8 | 90.0° | 64.3° |
| C30 | C31 | C32 | H11 | 90.0° | 97.3° |
| C30 | C31 | O46 | H22 | 90.0° | 176.2° |
| O45 | C32 | C33 | H11 | 90.0° | 123.7° |
| O45 | C32 | C33 | N35 | 90.0° | 86.3° |
| O45 | C32 | C33 | O34 | 90.0° | 155.2° |
| O45 | C32 | C31 | H10 | 90.0° | 102.2° |
| O45 | C32 | C33 | H12 | 90.0° | 36.7° |
| C32 | C33 | N35 | C36 | 90.0° | 84.6° |
| C32 | C33 | N35 | O34 | 90.0° | 114.1° |
| C32 | C33 | N35 | H12 | 90.0° | 122.9° |
| C32 | C33 | O34 | H12 | 90.0° | 118.5° |
| C32 | C33 | O34 | C30 | 90.0° | 40.0° |
| C33 | C32 | C31 | H10 | 90.0° | 139.6° |
| C33 | C32 | O45 | H21 | 90.0° | 174.1° |
| O13 | C14 | C51 | H4 | 90.0° | 119.4° |
| C14 | O13 | C12 | N11 | 90.0° | 158.5° |
| C14 | O13 | C12 | C53 | 90.0° | 40.0° |
| O13 | C14 | C51 | O52 | 90.0° | 120.7° |
| O13 | C14 | C51 | C53 | 90.0° | 2.0° |
| C14 | O13 | C12 | H3 | 90.0° | 78.5° |
| O13 | C14 | C15 | H5 | 90.0° | 173.6° |
| O13 | C14 | C15 | H6 | 90.0° | 53.6° |
| O13 | C14 | C51 | H15 | 90.0° | 116.8° |
| C51 | C14 | O13 | C12 | 90.0° | 26.5° |
| C14 | C51 | C53 | C12 | 90.0° | 20.9° |
| C14 | C51 | O52 | C53 | 90.0° | 114.8° |
| C14 | C51 | O52 | H15 | 90.0° | 122.5° |
| C14 | C51 | C53 | H15 | 90.0° | 118.7° |
| C14 | C51 | C53 | O54 | 90.0° | 139.1° |
| C51 | C14 | C15 | H5 | 90.0° | 55.7° |
| C51 | C14 | C15 | H6 | 90.0° | 64.3° |
| C14 | C51 | C53 | H16 | 90.0° | 97.3° |
| C14 | C51 | O52 | H27 | 90.0° | 180.0° |
| O13 | C12 | N11 | C53 | 90.0° | 114.0° |
| O13 | C12 | N11 | H3 | 90.0° | 123.1° |
| O13 | C12 | C53 | H3 | 90.0° | 118.6° |
| O13 | C12 | C53 | C51 | 90.0° | 37.0° |
| O13 | C12 | C53 | O54 | 90.0° | 155.2° |
| O13 | C12 | N11 | C10 | 90.0° | 19.0° |
| O13 | C12 | N11 | C7 | 90.0° | 161.0° |
| C12 | O13 | C14 | H4 | 90.0° | 92.9° |
| O13 | C12 | C53 | H16 | 90.0° | 81.2° |
| C40 | N41 | C42 | N43 | 90.0° | 0.0° |
| C40 | N41 | C42 | H14 | 90.0° | 180.0° |
| N41 | C40 | N44 | H17 | 90.0° | 179.9° |
| N41 | C40 | N44 | H18 | 90.0° | 0.0° |
| C36 | N35 | C33 | O34 | 90.0° | 161.2° |
| N35 | C36 | N43 | C42 | 90.0° | 179.7° |
| C36 | N35 | C33 | H12 | 90.0° | 38.3° |
| C36 | N35 | C39 | H13 | 90.0° | 180.0° |
| C33 | N35 | C36 | N43 | 90.0° | 0.2° |
| N35 | C33 | O34 | H12 | 90.0° | 123.0° |
| N35 | C33 | O34 | C30 | 90.0° | 158.5° |
| N35 | C33 | C32 | H11 | 90.0° | 37.4° |
| C33 | N35 | C39 | H13 | 90.0° | 0.3° |
| C36 | N43 | C42 | N41 | 90.0° | 0.0° |
| C36 | N43 | C42 | H14 | 90.0° | 180.0° |
| O28 | C29 | C30 | H7 | 90.0° | 120.0° |
| O28 | C29 | C30 | H8 | 90.0° | 120.0° |
| O28 | C29 | C30 | O34 | 90.0° | 66.4° |
| O28 | C29 | H7 | H8 | 90.0° | 120.0° |
| O28 | C29 | C30 | H9 | 90.0° | 54.6° |
| C33 | O34 | C30 | C29 | 90.0° | 145.9° |
| C33 | O34 | C30 | H9 | 90.0° | 93.1° |
| O34 | C33 | C32 | H11 | 90.0° | 81.1° |
| N41 | C42 | N43 | H14 | 90.0° | 180.0° |
| N11 | C12 | C53 | H3 | 90.0° | 122.9° |
| N11 | C12 | C53 | C51 | 90.0° | 155.5° |
| N11 | C12 | C53 | O54 | 90.0° | 86.3° |
| C12 | N11 | C10 | C7 | 90.0° | 180.0° |
| C12 | N11 | C10 | N9 | 90.0° | 179.8° |
| C12 | N11 | C7 | N6 | 90.0° | 0.0° |
| C12 | N11 | C7 | C8 | 90.0° | 179.8° |
| C12 | N11 | C10 | H2 | 90.0° | 0.1° |
| N11 | C12 | C53 | H16 | 90.0° | 37.3° |
| C12 | C53 | C51 | O52 | 90.0° | 97.8° |
| C12 | C53 | C51 | O54 | 90.0° | 118.2° |
| C12 | C53 | C51 | H16 | 90.0° | 118.2° |
| C12 | C53 | O54 | H16 | 90.0° | 123.6° |
| C53 | C12 | N11 | C10 | 90.0° | 95.0° |
| C53 | C12 | N11 | C7 | 90.0° | 85.0° |
| C12 | C53 | C51 | H15 | 90.0° | 139.6° |
| C12 | C53 | O54 | H28 | 90.0° | 180.0° |
| C29 | C30 | O34 | H9 | 90.0° | 121.0° |
| C30 | C29 | H7 | H8 | 90.0° | 120.0° |
| C29 | C30 | C31 | H10 | 90.0° | 2.8° |
| O34 | C30 | C29 | H7 | 90.0° | 173.6° |
| O34 | C30 | C29 | H8 | 90.0° | 53.5° |
| O34 | C30 | C31 | H10 | 90.0° | 116.7° |
| C30 | O34 | C33 | H12 | 90.0° | 78.5° |
| O52 | C51 | C53 | H15 | 90.0° | 122.6° |
| O52 | C51 | C53 | O54 | 90.0° | 20.4° |
| O52 | C51 | C14 | H4 | 90.0° | 1.3° |
| O52 | C51 | C53 | H16 | 90.0° | 144.0° |
| C51 | C53 | O54 | H16 | 90.0° | 123.7° |
| C51 | C53 | C12 | H3 | 90.0° | 81.6° |
| C53 | C51 | C14 | H4 | 90.0° | 117.4° |
| C53 | C51 | O52 | H27 | 90.0° | 65.2° |
| C51 | C53 | O54 | H28 | 90.0° | 67.3° |
| O54 | C53 | C12 | H3 | 90.0° | 36.6° |
| O54 | C53 | C51 | H15 | 90.0° | 102.2° |
| N11 | C10 | N9 | H2 | 90.0° | 179.9° |
| C10 | N11 | C7 | N6 | 90.0° | 180.0° |
| C10 | N11 | C7 | C8 | 90.0° | 0.2° |
| N11 | C10 | N9 | C8 | 90.0° | 0.0° |
| C10 | N11 | C12 | H3 | 90.0° | 142.1° |
| C7 | N11 | C10 | N9 | 90.0° | 0.2° |
| N11 | C7 | N6 | C8 | 90.0° | 179.8° |
| N11 | C7 | N6 | C4 | 90.0° | 180.0° |
| N11 | C7 | C8 | N9 | 90.0° | 0.2° |
| N11 | C7 | C8 | C2 | 90.0° | 179.9° |
| C7 | N11 | C10 | H2 | 90.0° | 179.9° |
| C7 | N11 | C12 | H3 | 90.0° | 37.9° |
| C10 | N9 | C8 | C7 | 90.0° | 0.1° |
| C10 | N9 | C8 | C2 | 90.0° | 179.8° |
| N6 | C7 | C8 | N9 | 90.0° | 180.0° |
| N6 | C7 | C8 | C2 | 90.0° | 0.2° |
| C7 | N6 | C4 | N5 | 90.0° | 180.0° |
| C7 | N6 | C4 | N3 | 90.0° | 0.1° |
| C8 | C7 | N6 | C4 | 90.0° | 0.2° |
| C7 | C8 | N9 | C2 | 90.0° | 179.7° |
| C7 | C8 | C2 | N3 | 90.0° | 0.0° |
| C7 | C8 | C2 | O1 | 90.0° | 179.9° |
| N6 | C4 | N5 | N3 | 90.0° | 179.9° |
| N6 | C4 | N3 | C2 | 90.0° | 0.4° |
| N6 | C4 | N3 | H1 | 90.0° | 180.0° |
| N6 | C4 | N5 | H19 | 90.0° | 180.0° |
| N6 | C4 | N5 | H20 | 90.0° | 0.0° |
| N9 | C8 | C2 | N3 | 90.0° | 179.6° |
| N9 | C8 | C2 | O1 | 90.0° | 0.4° |
| C8 | N9 | C10 | H2 | 90.0° | 180.0° |
| C8 | C2 | N3 | C4 | 90.0° | 0.3° |
| C8 | C2 | N3 | O1 | 90.0° | 180.0° |
| C8 | C2 | N3 | H1 | 90.0° | 180.0° |
| N5 | C4 | N3 | C2 | 90.0° | 179.7° |
| N5 | C4 | N3 | H1 | 90.0° | 0.1° |
| C4 | N5 | H19 | H20 | 90.0° | 180.0° |
| C4 | N3 | C2 | H1 | 90.0° | 179.6° |
| C4 | N3 | C2 | O1 | 90.0° | 179.7° |
| N3 | C4 | N5 | H19 | 90.0° | 0.1° |
| N3 | C4 | N5 | H20 | 90.0° | 179.9° |
| O1 | C2 | N3 | H1 | 90.0° | 0.0° |
| H3 | C12 | C53 | H16 | 90.0° | 160.2° |
| H4 | C14 | C15 | H5 | 90.0° | 65.4° |
| H4 | C14 | C15 | H6 | 90.0° | 174.6° |
| H4 | C14 | C51 | H15 | 90.0° | 123.8° |
| H7 | C29 | C30 | H9 | 90.0° | 65.4° |
| H8 | C29 | C30 | H9 | 90.0° | 174.6° |
| H9 | C30 | C31 | H10 | 90.0° | 123.8° |
| H10 | C31 | C32 | H11 | 90.0° | 21.4° |
| H10 | C31 | O46 | H22 | 90.0° | 61.1° |
| H11 | C32 | C33 | H12 | 90.0° | 160.3° |
| H11 | C32 | O45 | H21 | 90.0° | 62.2° |
| H15 | C51 | C53 | H16 | 90.0° | 21.4° |
| H15 | C51 | O52 | H27 | 90.0° | 57.5° |
| H16 | C53 | O54 | H28 | 90.0° | 56.4° |
