@MOLECULE FDBD02265 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6337 1.6313 2.3069 C.3 1 UNK -0.0585 2 C1 -1.5173 0.1247 2.0670 C.3 1 UNK -0.0143 3 C2 -2.8263 -0.5935 1.7330 C.3 1 UNK -0.0585 4 C3 -0.2396 -0.3876 1.3991 C.3 1 UNK -0.0011 5 C4 0.8078 0.6304 1.0279 C.2 1 UNK -0.0499 6 C5 1.1748 0.7678 -0.2256 C.2 1 UNK 0.1029 7 Cl 0.4533 -0.2231 -1.4549 Cl 1 UNK -0.0708 8 Cl1 2.3813 1.9405 -0.6532 Cl 1 UNK -0.0708 9 C6 -0.4798 -0.6433 2.8883 C.3 1 UNK 0.0689 10 C7 0.3492 0.1420 3.8717 C.2 1 UNK 0.3129 11 O 0.1814 1.3329 3.9879 O.2 1 UNK -0.2504 12 O1 1.2740 -0.4815 4.6185 O.3 1 UNK -0.4396 13 C8 2.0354 0.3378 5.5445 C.3 1 UNK 0.2293 14 C9 1.3423 0.3846 6.8423 C.1 1 UNK 0.1139 15 N 0.8074 0.4207 7.8438 N.1 1 UNK -0.1922 16 C10 3.4080 -0.2562 5.7293 C.ar 1 UNK 0.0995 17 C11 4.4551 0.5552 6.1195 C.ar 1 UNK -0.0355 18 C12 5.7167 0.0018 6.2878 C.ar 1 UNK -0.0549 19 C13 5.8795 -1.3532 6.0564 C.ar 1 UNK 0.0004 20 C14 4.7814 -2.1087 5.6661 C.ar 1 UNK 0.2208 21 N1 3.5929 -1.5458 5.5214 N.ar 1 UNK -0.2127 22 O2 4.9278 -3.4377 5.4358 O.3 1 UNK -0.4380 23 C15 3.8584 -4.1232 4.9529 C.ar 1 UNK 0.1304 24 C16 3.5065 -4.0099 3.6156 C.ar 1 UNK -0.0193 25 C17 2.4192 -4.7081 3.1272 C.ar 1 UNK -0.0583 26 C18 1.6819 -5.5195 3.9697 C.ar 1 UNK -0.0615 27 C19 2.0302 -5.6338 5.3029 C.ar 1 UNK -0.0583 28 C20 3.1200 -4.9422 5.7951 C.ar 1 UNK -0.0193 29 H -2.5706 1.8463 2.7769 H 1 UNK 0.0235 30 H1 -1.5776 2.1469 1.3710 H 1 UNK 0.0235 31 H2 -0.8343 1.9544 2.9405 H 1 UNK 0.0235 32 H3 -3.6317 -0.1334 2.2664 H 1 UNK 0.0235 33 H4 -2.7515 -1.6222 2.0179 H 1 UNK 0.0235 34 H5 -3.0112 -0.5272 0.6812 H 1 UNK 0.0235 35 H6 -0.0230 -1.0025 0.5506 H 1 UNK 0.0357 36 H7 1.2367 1.2195 1.7587 H 1 UNK 0.0598 37 H8 -0.5009 -1.5112 3.5137 H 1 UNK 0.0425 38 H9 2.1257 1.3292 5.1523 H 1 UNK 0.0964 39 H10 4.3012 1.5623 6.2842 H 1 UNK 0.0637 40 H11 6.5152 0.5872 6.5788 H 1 UNK 0.0620 41 H12 6.8044 -1.7961 6.1723 H 1 UNK 0.0671 42 H13 4.0566 -3.4045 2.9863 H 1 UNK 0.0654 43 H14 2.1570 -4.6240 2.1326 H 1 UNK 0.0619 44 H15 0.8702 -6.0407 3.6028 H 1 UNK 0.0618 45 H16 1.4755 -6.2363 5.9308 H 1 UNK 0.0619 46 H17 3.3847 -5.0346 6.7883 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 9 1 7 5 6 2 8 6 7 1 9 6 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 16 1 16 14 15 3 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 3 32 1 35 3 33 1 36 3 34 1 37 4 35 1 38 5 36 1 39 9 37 1 40 13 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 24 42 1 45 25 43 1 46 26 44 1 47 27 45 1 48 28 46 1