@MOLECULE FDBD00695 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 4.3759 -2.8607 0.1803 Cl 1 UNK -0.0854 2 S 0.4211 -1.2636 1.0217 S.3 1 UNK -0.1300 3 O 2.3110 2.5640 -0.8543 O.2 1 UNK -0.2731 4 O1 -2.1507 2.0851 1.5566 O.2 1 UNK -0.2692 5 O2 5.3604 0.5101 0.0076 O.co2 1 UNK -0.5433 6 O3 4.3871 0.0327 -2.0061 O.co2 1 UNK -0.5433 7 N 2.2714 0.5146 0.3114 N.am 1 UNK -0.2523 8 N1 -0.6351 1.4084 -0.0623 N.am 1 UNK -0.2968 9 N2 -4.0767 2.3920 -0.3999 N.4 1 UNK 0.2307 10 C 1.2515 0.3141 1.3270 C.3 1 UNK 0.1041 11 C1 0.5689 1.5738 0.7510 C.3 1 UNK 0.1285 12 C2 1.8682 1.7394 -0.0895 C.2 1 UNK 0.2439 13 C3 3.2440 -0.3919 0.0343 C.2 1 UNK 0.0749 14 C4 1.9540 -2.2411 1.2193 C.3 1 UNK 0.0331 15 C5 3.1419 -1.6662 0.4708 C.2 1 UNK 0.0514 16 C6 -1.9169 1.6830 0.4179 C.2 1 UNK 0.2665 17 C7 -3.0082 1.4114 -0.6118 C.3 1 UNK 0.0789 18 C8 4.3725 0.0641 -0.7926 C.2 1 UNK 0.0871 19 C9 -3.5054 -0.0155 -0.5080 C.ar 1 UNK 0.0091 20 C10 -2.8881 -1.0009 -1.2576 C.ar 1 UNK -0.0528 21 C11 -4.5653 -0.3008 0.3343 C.ar 1 UNK -0.0528 22 C12 -3.3458 -2.3150 -1.1619 C.ar 1 UNK -0.0613 23 C13 -5.0228 -1.6150 0.4300 C.ar 1 UNK -0.0613 24 C14 -4.4130 -2.6221 -0.3182 C.ar 1 UNK -0.0617 25 H -0.5375 1.0896 -0.9886 H 1 UNK 0.1497 26 H1 -3.6941 3.3342 -0.4793 H 1 UNK 0.2005 27 H2 -4.4758 2.2644 0.5301 H 1 UNK 0.2005 28 H3 -4.8038 2.2599 -1.1030 H 1 UNK 0.2005 29 H4 1.4209 0.2448 2.3812 H 1 UNK 0.0644 30 H5 0.1595 2.3162 1.4038 H 1 UNK 0.0622 31 H6 1.7728 -3.2314 0.8567 H 1 UNK 0.0435 32 H7 2.2026 -2.2278 2.2599 H 1 UNK 0.0435 33 H8 -2.6261 1.5176 -1.6056 H 1 UNK 0.1002 34 H9 -2.0988 -0.7666 -1.8798 H 1 UNK 0.0622 35 H10 -5.0118 0.4493 0.8848 H 1 UNK 0.0622 36 H11 -2.8947 -3.0601 -1.7154 H 1 UNK 0.0618 37 H12 -5.8125 -1.8423 1.0544 H 1 UNK 0.0618 38 H13 -4.7516 -3.5944 -0.2474 H 1 UNK 0.0618 @BOND 1 1 15 1 2 2 10 1 3 2 14 1 4 3 12 2 5 4 16 2 6 5 18 ar 7 6 18 ar 8 7 10 1 9 7 12 am 10 7 13 1 11 8 11 1 12 8 16 am 13 9 17 1 14 10 11 1 15 11 12 1 16 13 15 2 17 13 18 1 18 14 15 1 19 16 17 1 20 17 19 1 21 19 20 ar 22 19 21 ar 23 20 22 ar 24 21 23 ar 25 22 24 ar 26 23 24 ar 27 8 25 1 28 9 26 1 29 9 27 1 30 9 28 1 31 10 29 1 32 11 30 1 33 14 31 1 34 14 32 1 35 17 33 1 36 20 34 1 37 21 35 1 38 22 36 1 39 23 37 1 40 24 38 1