@MOLECULE FDBD01277 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -4.1777 -4.0708 -0.0382 Cl 1 UNK -0.0820 2 S 4.5706 -0.8165 -0.0017 S.O2 1 UNK -0.0059 3 O 5.0560 -1.3809 1.2495 O.2 1 UNK -0.1696 4 O1 5.0757 -1.3265 -1.2690 O.2 1 UNK -0.1696 5 N -3.5720 -0.1341 0.0148 N.ar 1 UNK -0.2529 6 N1 -0.9482 3.2042 -1.1997 N.ar 1 UNK -0.2595 7 C 0.0439 -1.1058 -0.0017 C.ar 1 UNK -0.0157 8 C1 -1.4000 -1.1988 -0.0018 C.ar 1 UNK 0.0095 9 C2 2.8279 -0.9279 -0.0015 C.ar 1 UNK 0.0879 10 C3 -2.2211 -0.0819 0.0142 C.ar 1 UNK 0.0802 11 C4 0.7387 -1.0447 -1.2095 C.ar 1 UNK -0.0522 12 C5 0.7409 -1.0781 1.2062 C.ar 1 UNK -0.0522 13 C6 2.1308 -0.9558 -1.2094 C.ar 1 UNK -0.0363 14 C7 2.1330 -0.9891 1.2063 C.ar 1 UNK -0.0363 15 C8 -1.6954 1.2670 0.0321 C.ar 1 UNK 0.0190 16 C9 -2.0074 -2.4504 -0.0181 C.ar 1 UNK -0.0321 17 C10 4.9010 0.9309 0.0222 C.3 1 UNK 0.0596 18 C11 -1.4356 1.9149 1.2323 C.ar 1 UNK -0.0494 19 C12 -3.3947 -2.5450 -0.0181 C.ar 1 UNK 0.0596 20 C13 -1.4383 1.9454 -1.1459 C.ar 1 UNK 0.0370 21 C14 -4.1251 -1.3677 -0.0015 C.ar 1 UNK 0.0466 22 C15 -0.9307 3.2105 1.2179 C.ar 1 UNK -0.0400 23 C16 -0.7065 3.8055 -0.0131 C.ar 1 UNK 0.0382 24 C17 -0.1660 5.1955 -0.0661 C.3 1 UNK -0.0224 25 H 0.2230 -1.0653 -2.1032 H 1 UNK 0.0624 26 H1 0.2267 -1.1234 2.0998 H 1 UNK 0.0624 27 H2 2.6450 -0.9107 -2.1030 H 1 UNK 0.0637 28 H3 2.6487 -0.9685 2.1000 H 1 UNK 0.0637 29 H4 -1.4302 -3.3058 -0.0302 H 1 UNK 0.0639 30 H5 5.9585 1.0939 0.0234 H 1 UNK 0.0468 31 H6 4.4725 1.3629 0.9024 H 1 UNK 0.0468 32 H7 4.4708 1.3871 -0.8448 H 1 UNK 0.0468 33 H8 -1.6161 1.4379 2.1295 H 1 UNK 0.0625 34 H9 -1.6322 1.4617 -2.0367 H 1 UNK 0.0836 35 H10 -5.1548 -1.4367 -0.0016 H 1 UNK 0.0844 36 H11 -0.7293 3.7130 2.0965 H 1 UNK 0.0636 37 H12 -0.0550 5.4963 -1.0869 H 1 UNK 0.0292 38 H13 0.7865 5.2266 0.4205 H 1 UNK 0.0292 39 H14 -0.8419 5.8602 0.4301 H 1 UNK 0.0292 @BOND 1 1 19 1 2 2 3 2 3 2 4 2 4 2 9 1 5 2 17 1 6 5 10 ar 7 5 21 ar 8 6 20 ar 9 6 23 ar 10 7 8 1 11 7 11 ar 12 7 12 ar 13 8 10 ar 14 8 16 ar 15 9 13 ar 16 9 14 ar 17 10 15 1 18 11 13 ar 19 12 14 ar 20 15 18 ar 21 15 20 ar 22 16 19 ar 23 18 22 ar 24 19 21 ar 25 22 23 ar 26 23 24 1 27 11 25 1 28 12 26 1 29 13 27 1 30 14 28 1 31 16 29 1 32 17 30 1 33 17 31 1 34 17 32 1 35 18 33 1 36 20 34 1 37 21 35 1 38 22 36 1 39 24 37 1 40 24 38 1 41 24 39 1