@MOLECULE FDBD00699 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 Cl 0.8658 3.4317 0.0490 Cl 1 UNK -0.0835 2 F 6.4798 -5.5099 -0.1250 F 1 UNK -0.2055 3 O 2.2649 -2.1733 -0.3951 O.2 1 UNK -0.2872 4 O1 6.7011 3.6813 -1.6054 O.2 1 UNK -0.2760 5 N 6.0343 -0.8721 0.9579 N.pl3 1 UNK -0.3428 6 N1 5.0594 2.7611 -0.3669 N.am 1 UNK -0.3293 7 C 6.4378 0.4593 1.3720 C.3 1 UNK 0.0096 8 C1 7.4326 1.0267 0.3434 C.3 1 UNK -0.0292 9 C2 4.8453 -1.1202 0.4829 C.2 1 UNK 0.0454 10 C3 7.3716 2.5654 0.3620 C.3 1 UNK 0.0252 11 C4 4.5701 -2.3775 0.1052 C.2 1 UNK 0.0457 12 C5 3.8376 0.0036 0.3725 C.ar 1 UNK -0.0034 13 C6 5.6398 -3.3900 0.2024 C.2 1 UNK -0.0138 14 C7 3.2692 -2.8650 -0.4042 C.2 1 UNK 0.1880 15 C8 3.1899 0.2619 -0.8391 C.ar 1 UNK -0.0514 16 C9 3.5606 0.8025 1.4856 C.ar 1 UNK -0.0514 17 C10 6.3474 3.0500 -0.6234 C.2 1 UNK 0.2105 18 C11 5.4785 -4.6420 -0.2371 C.2 1 UNK 0.1243 19 C12 3.1677 -4.2387 -0.9236 C.2 1 UNK -0.0116 20 C13 2.2732 1.3112 -0.9393 C.ar 1 UNK -0.0428 21 C14 2.6453 1.8534 1.3894 C.ar 1 UNK -0.0428 22 C15 4.2081 -5.0733 -0.8446 C.2 1 UNK -0.0228 23 C16 2.0044 2.1099 0.1748 C.ar 1 UNK 0.0410 24 H 6.6790 -1.6118 1.0382 H 1 UNK 0.1461 25 H1 4.3551 3.0596 -0.9867 H 1 UNK 0.1449 26 H2 4.8207 2.2511 0.4407 H 1 UNK 0.1449 27 H3 6.9056 0.4093 2.3330 H 1 UNK 0.0461 28 H4 5.5787 1.0944 1.4310 H 1 UNK 0.0461 29 H5 7.1768 0.6717 -0.6331 H 1 UNK 0.0285 30 H6 8.4229 0.7068 0.5921 H 1 UNK 0.0285 31 H7 8.3305 2.9614 0.1002 H 1 UNK 0.0359 32 H8 7.0990 2.8946 1.3429 H 1 UNK 0.0359 33 H9 6.5429 -3.1222 0.6240 H 1 UNK 0.0654 34 H10 3.3900 -0.3255 -1.6637 H 1 UNK 0.0624 35 H11 4.0346 0.6150 2.3829 H 1 UNK 0.0624 36 H12 2.2856 -4.5598 -1.3523 H 1 UNK 0.0657 37 H13 1.7953 1.4961 -1.8351 H 1 UNK 0.0632 38 H14 2.4428 2.4395 2.2144 H 1 UNK 0.0632 39 H15 4.1203 -6.0329 -1.2142 H 1 UNK 0.0647 @BOND 1 23 1 1 2 18 2 1 3 14 3 2 4 17 4 2 5 5 7 1 6 9 5 1 7 17 6 am 8 7 8 1 9 8 10 1 10 9 11 2 11 12 9 1 12 10 17 1 13 11 13 1 14 11 14 1 15 15 12 ar 16 12 16 ar 17 13 18 2 18 14 19 1 19 20 15 ar 20 16 21 ar 21 18 22 1 22 19 22 2 23 20 23 ar 24 21 23 ar 25 5 24 1 26 6 25 1 27 6 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 10 31 1 33 10 32 1 34 13 33 1 35 15 34 1 36 16 35 1 37 19 36 1 38 20 37 1 39 21 38 1 40 22 39 1