@MOLECULE FDBD01623 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.4015 1.7659 0.2174 S.2 1 UNK -0.0881 2 O -1.3207 0.6286 -1.8669 O.2 1 UNK -0.2693 3 O1 2.0422 -1.9038 0.5278 O.3 1 UNK -0.4641 4 O2 4.1600 -1.0721 0.8772 O.2 1 UNK -0.2443 5 N -3.2029 -0.9702 -0.3721 N.4 1 UNK 0.2355 6 N1 0.0882 -0.2537 -0.2082 N.am 1 UNK -0.2795 7 C -1.9037 -1.4626 -0.8239 C.3 1 UNK 0.0524 8 C1 -3.0663 -0.2077 0.8596 C.3 1 UNK -0.0332 9 C2 -1.0229 -0.2353 -1.0470 C.2 1 UNK 0.2652 10 C3 -4.4288 0.3048 1.3193 C.3 1 UNK -0.0154 11 C4 -2.0775 -2.2734 -2.1028 C.3 1 UNK -0.0130 12 C5 1.1081 0.7030 -0.1346 C.ar 1 UNK 0.0578 13 C6 0.9303 2.0789 -0.4107 C.ar 1 UNK -0.0214 14 C7 2.3906 0.3838 0.2179 C.ar 1 UNK 0.1176 15 C8 -4.3107 1.1243 2.5951 C.3 1 UNK -0.0605 16 C9 2.1060 2.7801 -0.2572 C.ar 1 UNK -0.0188 17 C10 -0.3501 2.7092 -0.8153 C.3 1 UNK -0.0374 18 C11 2.9620 -0.8787 0.5658 C.2 1 UNK 0.3474 19 C12 2.4947 -3.2211 0.8588 C.3 1 UNK 0.0820 20 H -3.8224 -1.7636 -0.2073 H 1 UNK 0.2021 21 H1 -3.5904 -0.3610 -1.0926 H 1 UNK 0.2021 22 H2 0.1653 -1.0240 0.4000 H 1 UNK 0.1550 23 H3 -1.4495 -2.1110 -0.1040 H 1 UNK 0.0946 24 H4 -2.4153 0.6243 0.6894 H 1 UNK 0.0814 25 H5 -2.6590 -0.8425 1.6186 H 1 UNK 0.0814 26 H6 -5.0723 -0.5307 1.5003 H 1 UNK 0.0314 27 H7 -4.8296 0.9327 0.5511 H 1 UNK 0.0314 28 H8 -2.5308 -1.6613 -2.8543 H 1 UNK 0.0289 29 H9 -2.7028 -3.1192 -1.9067 H 1 UNK 0.0289 30 H10 -1.1209 -2.6089 -2.4452 H 1 UNK 0.0289 31 H11 -3.9109 0.5123 3.3764 H 1 UNK 0.0232 32 H12 -5.2783 1.4807 2.8810 H 1 UNK 0.0232 33 H13 -3.6599 1.9565 2.4255 H 1 UNK 0.0232 34 H14 2.1955 3.7968 -0.4102 H 1 UNK 0.0697 35 H15 -1.1149 1.9626 -0.8657 H 1 UNK 0.0278 36 H16 -0.2346 3.1668 -1.7756 H 1 UNK 0.0278 37 H17 -0.6244 3.4528 -0.0965 H 1 UNK 0.0278 38 H18 1.6772 -3.9077 0.7865 H 1 UNK 0.0661 39 H19 2.8775 -3.2262 1.8580 H 1 UNK 0.0661 40 H20 3.2676 -3.5140 0.1793 H 1 UNK 0.0661 @BOND 1 1 14 ar 2 1 16 ar 3 2 9 2 4 3 18 1 5 3 19 1 6 4 18 2 7 5 7 1 8 5 8 1 9 6 9 am 10 6 12 1 11 7 9 1 12 7 11 1 13 8 10 1 14 10 15 1 15 12 13 ar 16 12 14 ar 17 13 16 ar 18 13 17 1 19 14 18 1 20 5 20 1 21 5 21 1 22 6 22 1 23 7 23 1 24 8 24 1 25 8 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 11 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 17 35 1 36 17 36 1 37 17 37 1 38 19 38 1 39 19 39 1 40 19 40 1