@MOLECULE FDBD02303 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3689 3.0222 4.1606 C.3 1 UNK -0.0616 2 C1 1.1837 1.6924 3.4270 C.3 1 UNK -0.0297 3 C2 1.7551 0.5566 4.2781 C.3 1 UNK -0.0616 4 C3 -0.3069 1.4473 3.1839 C.3 1 UNK 0.0837 5 C4 -0.8697 2.5661 2.3457 C.ar 1 UNK -0.0334 6 C5 -0.3643 2.8035 1.0811 C.ar 1 UNK -0.0564 7 C6 -0.8801 3.8294 0.3118 C.ar 1 UNK -0.0431 8 C7 -1.9024 4.6188 0.8076 C.ar 1 UNK 0.0410 9 C8 -2.4078 4.3807 2.0733 C.ar 1 UNK -0.0431 10 C9 -1.8951 3.3509 2.8394 C.ar 1 UNK -0.0564 11 Cl -2.5504 5.9079 -0.1578 Cl 1 UNK -0.0835 12 C10 -0.4893 0.1375 2.4614 C.2 1 UNK 0.3151 13 O -1.0217 0.1148 1.3770 O.2 1 UNK -0.2501 14 O1 -0.0603 -1.0039 3.0224 O.3 1 UNK -0.4594 15 C11 -0.2692 -2.2277 2.2695 C.3 1 UNK 0.1176 16 C12 0.2724 -3.3970 3.0510 C.ar 1 UNK -0.0068 17 C13 1.5889 -3.7874 2.8868 C.ar 1 UNK -0.0551 18 C14 2.0889 -4.8593 3.6025 C.ar 1 UNK -0.0579 19 C15 1.2740 -5.5437 4.4836 C.ar 1 UNK -0.0193 20 C16 -0.0470 -5.1540 4.6502 C.ar 1 UNK 0.1288 21 C17 -0.5449 -4.0741 3.9348 C.ar 1 UNK -0.0129 22 O2 -0.8506 -5.8255 5.5161 O.3 1 UNK -0.4560 23 C18 -2.1636 -5.4790 5.5675 C.ar 1 UNK 0.1284 24 C19 -3.0773 -6.0904 4.7210 C.ar 1 UNK -0.0193 25 C20 -4.4114 -5.7363 4.7751 C.ar 1 UNK -0.0583 26 C21 -4.8365 -4.7732 5.6716 C.ar 1 UNK -0.0615 27 C22 -3.9279 -4.1620 6.5160 C.ar 1 UNK -0.0583 28 C23 -2.5938 -4.5172 6.4704 C.ar 1 UNK -0.0193 29 H 2.4113 3.1936 4.3306 H 1 UNK 0.0233 30 H1 0.8557 2.9865 5.0988 H 1 UNK 0.0233 31 H2 0.9692 3.8165 3.5655 H 1 UNK 0.0233 32 H3 1.6969 1.7281 2.4888 H 1 UNK 0.0306 33 H4 1.2418 0.5209 5.2163 H 1 UNK 0.0233 34 H5 2.7975 0.7280 4.4481 H 1 UNK 0.0233 35 H6 1.6256 -0.3734 3.7651 H 1 UNK 0.0233 36 H7 -0.8202 1.4115 4.1221 H 1 UNK 0.0465 37 H8 0.3983 2.2146 0.7114 H 1 UNK 0.0621 38 H9 -0.5027 4.0065 -0.6323 H 1 UNK 0.0632 39 H10 -3.1675 4.9719 2.4453 H 1 UNK 0.0632 40 H11 -2.2778 3.1678 3.7802 H 1 UNK 0.0621 41 H12 0.2394 -2.1600 1.3305 H 1 UNK 0.0749 42 H13 -1.3163 -2.3671 2.0988 H 1 UNK 0.0749 43 H14 2.1991 -3.2777 2.2289 H 1 UNK 0.0621 44 H15 3.0718 -5.1485 3.4785 H 1 UNK 0.0619 45 H16 1.6476 -6.3441 5.0173 H 1 UNK 0.0654 46 H17 -1.5249 -3.7773 4.0631 H 1 UNK 0.0658 47 H18 -2.7605 -6.8091 4.0516 H 1 UNK 0.0654 48 H19 -5.0914 -6.1909 4.1459 H 1 UNK 0.0619 49 H20 -5.8336 -4.5101 5.7106 H 1 UNK 0.0618 50 H21 -4.2468 -3.4399 7.1808 H 1 UNK 0.0619 51 H22 -1.9176 -4.0676 7.1073 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 12 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 8 11 1 12 9 10 ar 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 1 17 16 21 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 20 22 1 24 22 23 1 25 23 28 ar 26 23 24 ar 27 24 25 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 1 29 1 32 1 30 1 33 1 31 1 34 2 32 1 35 3 33 1 36 3 34 1 37 3 35 1 38 4 36 1 39 6 37 1 40 7 38 1 41 9 39 1 42 10 40 1 43 15 41 1 44 15 42 1 45 17 43 1 46 18 44 1 47 19 45 1 48 21 46 1 49 24 47 1 50 25 48 1 51 26 49 1 52 27 50 1 53 28 51 1