@MOLECULE DB01973 30 30 1 SMALL USER_CHARGES @ATOM 1 S1 -2.1117 -0.0518 -0.3791 S 1 noname 0.0335 2 O1 -3.5099 -0.3031 0.3351 O.2 1 noname -0.1582 3 O2 -1.8367 1.5115 -0.4705 O.2 1 noname -0.1582 4 O3 -2.1480 -0.7093 -1.9356 O.3 1 noname -0.1322 5 C1 -0.8017 -0.8369 0.5734 C.3 1 noname 0.1074 6 C2 -2.4525 -2.0941 -1.8575 C.3 1 noname 0.0948 7 C3 0.4788 -0.6285 -0.0963 C.2 1 noname -0.0464 8 C4 -2.4853 -2.6893 -3.2666 C.3 1 noname 0.1167 9 C5 0.9294 -1.5482 -1.0361 C.2 1 noname -0.0517 10 C6 1.2474 0.4895 0.2060 C.2 1 noname -0.0517 11 N1 -2.7988 -4.1150 -3.1862 N.3 1 noname -0.3174 12 C7 -1.1819 -2.5126 -3.9000 C.2 1 noname 0.1449 13 C8 2.1485 -1.3498 -1.6737 C.2 1 noname -0.0591 14 C9 2.4665 0.6879 -0.4316 C.2 1 noname -0.0591 15 O4 -1.0857 -1.8565 -4.9597 O.2 1 noname -0.2488 16 O5 -0.0804 -3.0577 -3.3413 O.3 1 noname -0.2134 17 C10 2.9170 -0.2317 -1.3715 C.2 1 noname -0.0613 18 H1 -0.6685 -0.3225 1.5252 H 1 noname 0.0538 19 H2 -0.9179 -1.9205 0.5511 H 1 noname 0.0538 20 H3 -1.6186 -2.5453 -1.3197 H 1 noname 0.0608 21 H4 -3.4599 -2.1475 -1.4448 H 1 noname 0.0608 22 H5 -3.2359 -2.2095 -3.8947 H 1 noname 0.0597 23 H6 0.3267 -2.4250 -1.2731 H 1 noname 0.0625 24 H7 0.8941 1.2107 0.9430 H 1 noname 0.0625 25 H8 -3.7614 -4.4197 -3.1584 H 1 noname 0.1192 26 H9 -2.0528 -4.7953 -3.1584 H 1 noname 0.1192 27 H10 2.5018 -2.0710 -2.4107 H 1 noname 0.0622 28 H11 3.0692 1.5647 -0.1946 H 1 noname 0.0622 29 H12 -0.1550 -3.0207 -2.3850 H 1 noname 0.2213 30 H13 3.8730 -0.0762 -1.8715 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 2 3 1 4 1 4 1 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 2 9 7 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 10 14 2 14 12 15 2 15 12 16 1 16 13 17 2 17 14 17 1 18 5 18 1 19 5 19 1 20 6 20 1 21 6 21 1 22 8 22 1 23 9 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 13 27 1 28 14 28 1 29 16 29 1 30 17 30 1 @SUBSTRUCTURE 1 noname 1