@MOLECULE FDBD03039 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0223 2 C1 0.0021 -0.0041 0.0020 C.ar 1 UNK 0.0387 3 C2 0.0055 -0.6806 -1.2034 C.ar 1 UNK -0.0406 4 C3 0.0244 -2.0667 -1.1999 C.ar 1 UNK -0.0583 5 C4 0.0391 -2.7236 0.0213 C.ar 1 UNK -0.0369 6 C5 0.0345 -1.9800 1.1859 C.ar 1 UNK 0.0814 7 C6 0.0504 -2.6832 2.5186 C.3 1 UNK 0.1595 8 O 0.0686 -4.0970 2.3110 O.2 1 UNK -0.3872 9 N 0.0846 -4.8546 3.5072 N.2 1 UNK -0.0890 10 C7 0.1019 -6.1468 3.4541 C.2 1 UNK 0.0841 11 C8 0.1051 -6.8461 2.1192 C.3 1 UNK -0.0186 12 C9 0.1186 -6.9366 4.7011 C.ar 1 UNK -0.0005 13 C10 0.1430 -8.3319 4.6470 C.ar 1 UNK -0.0514 14 C11 0.1585 -9.0641 5.8153 C.ar 1 UNK -0.0425 15 C12 0.1493 -8.4185 7.0408 C.ar 1 UNK 0.0457 16 C13 0.1250 -7.0354 7.1010 C.ar 1 UNK -0.0113 17 C14 0.1157 -6.2917 5.9393 C.ar 1 UNK -0.0467 18 C15 0.1151 -6.3410 8.4385 C.3 1 UNK 0.0414 19 N1 -1.2161 -6.4567 9.0390 N.am 1 UNK -0.2770 20 C16 -1.4616 -5.9069 10.2447 C.2 1 UNK 0.4003 21 O1 -0.5787 -5.3153 10.8338 O.2 1 UNK -0.2265 22 O2 -2.6851 -6.0132 10.7966 O.3 1 UNK -0.4537 23 C17 -2.8774 -5.3969 12.0971 C.3 1 UNK 0.0833 24 Cl 0.1676 -9.3474 8.5073 Cl 1 UNK -0.0832 25 N2 0.0219 -0.6618 1.1446 N.ar 1 UNK -0.2533 26 H 1.0042 1.8801 0.0026 H 1 UNK 0.0292 27 H1 -0.5455 1.8639 -0.8728 H 1 UNK 0.0292 28 H2 -0.5286 1.8543 0.9071 H 1 UNK 0.0292 29 H3 -0.0066 -0.1362 -2.1360 H 1 UNK 0.0635 30 H4 0.0272 -2.6219 -2.1263 H 1 UNK 0.0619 31 H5 0.0536 -3.8027 0.0616 H 1 UNK 0.0637 32 H6 0.9391 -2.3863 3.0756 H 1 UNK 0.0790 33 H7 -0.8407 -2.4105 3.0840 H 1 UNK 0.0790 34 H8 1.1334 -7.0007 1.7924 H 1 UNK 0.0294 35 H9 -0.3952 -7.8100 2.2127 H 1 UNK 0.0294 36 H10 -0.4206 -6.2334 1.3868 H 1 UNK 0.0294 37 H11 0.1495 -8.8364 3.6921 H 1 UNK 0.0624 38 H12 0.1774 -10.1432 5.7748 H 1 UNK 0.0632 39 H13 0.0968 -5.2130 5.9875 H 1 UNK 0.0628 40 H14 0.8513 -6.8056 9.0945 H 1 UNK 0.0513 41 H15 0.3624 -5.2881 8.3030 H 1 UNK 0.0513 42 H16 -1.9209 -6.9290 8.5687 H 1 UNK 0.1523 43 H17 -2.6806 -4.3273 12.0250 H 1 UNK 0.0661 44 H18 -3.9043 -5.5560 12.4263 H 1 UNK 0.0661 45 H19 -2.1917 -5.8448 12.8164 H 1 UNK 0.0661 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 25 ar 6 2 3 ar 7 3 4 ar 8 3 29 1 9 4 5 ar 10 4 30 1 11 5 6 ar 12 5 31 1 13 6 7 1 14 6 25 ar 15 7 8 1 16 7 32 1 17 7 33 1 18 8 9 1 19 9 10 2 20 10 11 1 21 10 12 1 22 11 34 1 23 11 35 1 24 11 36 1 25 12 17 ar 26 12 13 ar 27 13 14 ar 28 13 37 1 29 14 15 ar 30 14 38 1 31 15 16 ar 32 15 24 1 33 16 17 ar 34 16 18 1 35 17 39 1 36 18 19 1 37 18 40 1 38 18 41 1 39 19 20 am 40 19 42 1 41 20 21 2 42 20 22 1 43 22 23 1 44 23 43 1 45 23 44 1 46 23 45 1