@MOLECULE FDBD03100 50 50 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 0.7182 -0.4975 -1.2568 C.3 1 UNK -0.0533 4 C3 0.7390 -2.0273 -1.2652 C.3 1 UNK -0.0530 5 C4 1.4551 -2.5207 -2.5240 C.3 1 UNK -0.0525 6 C5 1.4758 -4.0506 -2.5324 C.3 1 UNK -0.0463 7 C6 2.1920 -4.5440 -3.7912 C.3 1 UNK -0.0151 8 C7 3.6611 -4.1195 -3.7417 C.3 1 UNK -0.0583 9 C8 2.1054 -6.0468 -3.8619 C.ar 1 UNK 0.0023 10 C9 2.6365 -6.8185 -2.8464 C.ar 1 UNK -0.0244 11 C10 2.5579 -8.1973 -2.9109 C.ar 1 UNK 0.1289 12 C11 1.9473 -8.8076 -3.9913 C.ar 1 UNK 0.0024 13 C12 1.4148 -8.0407 -5.0091 C.ar 1 UNK 0.1707 14 C13 1.4874 -6.6565 -4.9440 C.ar 1 UNK 0.1655 15 O 0.9638 -5.8996 -5.9440 O.3 1 UNK -0.4201 16 C14 -0.3269 -5.5304 -5.8206 C.2 1 UNK 0.3369 17 O1 -0.9671 -5.8751 -4.8466 O.2 1 UNK -0.2452 18 C15 -0.9597 -4.7114 -6.8635 C.2 1 UNK 0.0187 19 C16 -2.2340 -4.3470 -6.7417 C.2 1 UNK -0.0804 20 C17 -2.8831 -3.5070 -7.8113 C.3 1 UNK -0.0463 21 N 0.7624 -8.6946 -6.1657 N.pl3 1 UNK 0.0601 22 O2 0.6949 -9.9096 -6.2201 O.2 1 UNK -0.1260 23 O3 0.2930 -8.0178 -7.0630 O.2 1 UNK -0.1260 24 N1 3.1286 -9.0216 -1.8220 N.pl3 1 UNK 0.0565 25 O4 3.6669 -8.4852 -0.8702 O.2 1 UNK -0.1261 26 O5 3.0599 -10.2364 -1.8778 O.2 1 UNK -0.1261 27 H -0.5195 1.8709 0.8908 H 1 UNK 0.0230 28 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0230 29 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0230 30 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 31 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0263 32 H5 1.7220 -0.1271 -1.2644 H 1 UNK 0.0265 33 H6 0.2006 -0.1431 -2.1236 H 1 UNK 0.0265 34 H7 -0.2648 -2.3977 -1.2576 H 1 UNK 0.0265 35 H8 1.2566 -2.3817 -0.3984 H 1 UNK 0.0265 36 H9 2.4589 -2.1504 -2.5316 H 1 UNK 0.0265 37 H10 0.9376 -2.1662 -3.3909 H 1 UNK 0.0265 38 H11 0.4720 -4.4209 -2.5249 H 1 UNK 0.0271 39 H12 1.9932 -4.4051 -1.6655 H 1 UNK 0.0271 40 H13 1.7269 -4.1189 -4.6560 H 1 UNK 0.0347 41 H14 4.1262 -4.5446 -2.8769 H 1 UNK 0.0236 42 H15 3.7225 -3.0524 -3.6915 H 1 UNK 0.0236 43 H16 4.1619 -4.4646 -4.6220 H 1 UNK 0.0236 44 H17 3.0923 -6.3653 -2.0390 H 1 UNK 0.0644 45 H18 1.8895 -9.8370 -4.0371 H 1 UNK 0.0664 46 H19 -0.4161 -4.4187 -7.6905 H 1 UNK 0.0686 47 H20 -2.7776 -4.6397 -5.9147 H 1 UNK 0.0571 48 H21 -2.1723 -3.3024 -8.5845 H 1 UNK 0.0272 49 H22 -3.2214 -2.5857 -7.3850 H 1 UNK 0.0272 50 H23 -3.7164 -4.0364 -8.2238 H 1 UNK 0.0272 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 14 ar 10 9 10 ar 11 10 11 ar 12 11 12 ar 13 11 24 1 14 12 13 ar 15 13 14 ar 16 13 21 1 17 14 15 1 18 15 16 1 19 16 17 2 20 16 18 1 21 18 19 2 22 19 20 1 23 21 22 2 24 21 23 2 25 24 25 2 26 24 26 2 27 1 27 1 28 1 28 1 29 1 29 1 30 2 30 1 31 2 31 1 32 3 32 1 33 3 33 1 34 4 34 1 35 4 35 1 36 5 36 1 37 5 37 1 38 6 38 1 39 6 39 1 40 7 40 1 41 8 41 1 42 8 42 1 43 8 43 1 44 10 44 1 45 12 45 1 46 18 46 1 47 19 47 1 48 20 48 1 49 20 49 1 50 20 50 1