@MOLECULE FDBD02056 43 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0306 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0896 3 O -1.3601 -0.5067 0.0123 O.3 1 UNK -0.4649 4 C2 -1.5179 -1.8396 0.0067 C.2 1 UNK 0.3075 5 O1 -0.5499 -2.5625 -0.0065 O.2 1 UNK -0.2508 6 C3 -2.9025 -2.4345 0.0167 C.3 1 UNK 0.0516 7 C4 -2.8017 -3.9612 0.0075 C.3 1 UNK 0.0160 8 C5 -4.1863 -4.5561 0.0176 C.2 1 UNK 0.1367 9 O2 -5.1538 -3.8336 0.0307 O.2 1 UNK -0.2973 10 C6 -4.3635 -6.0526 0.0112 C.3 1 UNK 0.0383 11 C7 -5.8559 -6.3896 0.0237 C.3 1 UNK 0.1175 12 C8 -6.5320 -6.0131 -1.3251 C.3 1 UNK 0.1206 13 C9 -6.0199 -7.0884 -2.3098 C.3 1 UNK 0.1145 14 C10 -5.7274 -8.3515 -1.4237 C.3 1 UNK 0.1145 15 C11 -6.0887 -7.9270 0.0176 C.3 1 UNK 0.1206 16 C12 -7.5578 -8.0759 -0.4438 C.3 1 UNK 0.1145 17 C13 -7.8467 -6.8284 -1.3190 C.3 1 UNK 0.1145 18 C14 -7.5082 -7.2529 -2.7723 C.3 1 UNK 0.1242 19 C15 -7.8235 -8.7892 -2.7472 C.3 1 UNK 0.1630 20 C16 -7.0644 -9.1689 -1.4281 C.3 1 UNK 0.1242 21 Cl -7.0409 -10.9045 -0.9401 Cl 1 UNK -0.1111 22 Cl1 -9.5940 -9.0988 -2.6041 Cl 1 UNK -0.0970 23 Cl2 -7.1233 -9.6317 -4.1792 Cl 1 UNK -0.0970 24 Cl3 -8.1144 -6.2786 -4.1630 Cl 1 UNK -0.1111 25 Cl4 -9.3903 -5.9534 -0.9987 Cl 1 UNK -0.1122 26 Cl5 -8.7948 -8.5324 0.7858 Cl 1 UNK -0.1122 27 Cl6 -5.4664 -8.8825 1.4143 Cl 1 UNK -0.1112 28 Cl7 -4.1827 -9.2282 -1.7336 Cl 1 UNK -0.1122 29 Cl8 -4.7850 -6.6203 -3.5373 Cl 1 UNK -0.1122 30 Cl9 -6.5595 -4.2744 -1.8015 Cl 1 UNK -0.1112 31 O3 -6.5158 -5.7682 1.1284 O.3 1 UNK -0.3844 32 H 0.9851 1.8962 0.0028 H 1 UNK 0.0262 33 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0262 34 H2 -0.5362 1.8802 -0.8565 H 1 UNK 0.0262 35 H3 0.5196 -0.3585 0.8689 H 1 UNK 0.0694 36 H4 0.5030 -0.3492 -0.8783 H 1 UNK 0.0694 37 H5 -3.4376 -2.1072 -0.8501 H 1 UNK 0.0382 38 H6 -3.4210 -2.1166 0.8971 H 1 UNK 0.0382 39 H7 -2.2665 -4.2885 0.8743 H 1 UNK 0.0347 40 H8 -2.2833 -4.2791 -0.8729 H 1 UNK 0.0347 41 H9 -3.8962 -6.4708 0.8782 H 1 UNK 0.0371 42 H10 -3.9130 -6.4613 -0.8691 H 1 UNK 0.0371 43 H11 -6.0728 -6.0210 1.9535 H 1 UNK 0.2103 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 15 1 12 11 12 1 13 11 31 1 14 12 17 1 15 12 13 1 16 12 30 1 17 13 18 1 18 13 14 1 19 13 29 1 20 14 20 1 21 14 15 1 22 14 28 1 23 15 16 1 24 15 27 1 25 16 20 1 26 16 17 1 27 16 26 1 28 17 18 1 29 17 25 1 30 18 19 1 31 18 24 1 32 19 20 1 33 19 22 1 34 19 23 1 35 20 21 1 36 1 32 1 37 1 33 1 38 1 34 1 39 2 35 1 40 2 36 1 41 6 37 1 42 6 38 1 43 7 39 1 44 7 40 1 45 10 41 1 46 10 42 1 47 31 43 1