@MOLECULE mannitol 1-phosphate 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 P -3.2534 -0.6342 0.0303 P.3 1 UNL1111111111 0.3547 2 O 0.7189 0.1440 -1.6131 O.3 1 UNL1111111111 -0.5430 3 O 2.7437 1.6877 -0.6127 O.3 1 UNL1111111111 -0.5512 4 O -0.0359 1.7138 1.5759 O.3 1 UNL1111111111 -0.5483 5 O 2.6507 -1.6664 0.8341 O.3 1 UNL1111111111 -0.5532 6 O -1.8447 0.0790 0.2181 O.3 1 UNL1111111111 -0.2515 7 O 5.4504 -1.1425 -0.3392 O.3 1 UNL1111111111 -0.5463 8 O -3.7042 -0.4520 -1.4931 O.3 1 UNL1111111111 -0.4078 9 O -4.2564 0.3872 0.7297 O.3 1 UNL1111111111 -0.3179 10 O -3.1494 -1.9851 0.5492 O.2 1 UNL1111111111 -0.2503 11 C 0.7902 0.3665 -0.2252 C.3 1 UNL1111111111 0.0636 12 C 2.2544 0.6287 0.1817 C.3 1 UNL1111111111 0.0371 13 C -0.0907 1.5723 0.1766 C.3 1 UNL1111111111 0.0785 14 C 3.1215 -0.6315 -0.0065 C.3 1 UNL1111111111 0.0378 15 C -1.5468 1.3981 -0.2965 C.3 1 UNL1111111111 -0.0790 16 C 4.5654 -0.3882 0.4577 C.3 1 UNL1111111111 -0.0231 17 H 0.3983 -0.5818 0.2104 H 1 UNL1111111111 0.1645 18 H 2.3103 1.0281 1.2237 H 1 UNL1111111111 0.1798 19 H 0.3415 2.5316 -0.1943 H 1 UNL1111111111 0.1599 20 H 3.0925 -0.9850 -1.0630 H 1 UNL1111111111 0.1446 21 H -1.6115 1.4414 -1.4005 H 1 UNL1111111111 0.1404 22 H -2.1949 2.1797 0.1486 H 1 UNL1111111111 0.1470 23 H 4.6945 -0.6528 1.5245 H 1 UNL1111111111 0.1427 24 H 4.8936 0.6557 0.2883 H 1 UNL1111111111 0.1563 25 H 1.0225 0.9338 -2.1101 H 1 UNL1111111111 0.3167 26 H 3.1922 1.3550 -1.4191 H 1 UNL1111111111 0.3192 27 H -0.6193 1.0541 2.0145 H 1 UNL1111111111 0.3354 28 H 1.7475 -1.9442 0.5697 H 1 UNL1111111111 0.3245 29 H 5.3149 -2.1009 -0.1837 H 1 UNL1111111111 0.3221 30 H -3.1046 -1.0262 -2.0890 H 1 UNL1111111111 0.3286 31 H -5.2179 0.0913 0.5155 H 1 UNL1111111111 0.3185 @BOND 1 1 6 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 11 1 6 2 25 1 7 3 12 1 8 3 26 1 9 4 13 1 10 4 27 1 11 5 14 1 12 5 28 1 13 6 15 1 14 7 16 1 15 7 29 1 16 8 30 1 17 9 31 1 18 11 12 1 19 11 13 1 20 11 17 1 21 12 14 1 22 12 18 1 23 13 15 1 24 13 19 1 25 14 16 1 26 14 20 1 27 15 21 1 28 15 22 1 29 16 23 1 30 16 24 1