@MOLECULE (2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-oxo-7-(phosphonooxy)heptyl dihydrogen phosphate 38 37 0 0 0 SMALL GASTEIGER @ATOM 1 P -3.4723 2.0706 0.1611 P.3 1 UNL11111111 0.3668 2 P 4.4506 1.1144 -0.0862 P.3 1 UNL11111111 0.3332 3 O -1.8455 -2.5377 -1.5997 O.3 1 UNL11111111 -0.5749 4 O -0.3379 -0.7078 1.0658 O.3 1 UNL11111111 -0.5648 5 O -3.8694 -2.6042 0.4256 O.3 1 UNL11111111 -0.5797 6 O 0.8265 -3.2317 0.7126 O.3 1 UNL11111111 -0.5069 7 O -3.9617 0.5644 0.2379 O.3 1 UNL11111111 -0.2250 8 O 3.6900 0.1775 -1.1521 O.3 1 UNL11111111 -0.2235 9 O 2.7951 -1.5067 0.9572 O.2 1 UNL11111111 -0.4396 10 O -1.8825 1.8819 0.1224 O.3 1 UNL11111111 -0.3933 11 O -3.7175 2.5822 -1.3322 O.3 1 UNL11111111 -0.3944 12 O -4.0592 2.8374 1.2399 O.2 1 UNL11111111 -0.2513 13 O 3.2393 2.0192 0.4518 O.3 1 UNL11111111 -0.4271 14 O 4.8558 0.2119 1.1433 O.3 1 UNL11111111 -0.3518 15 O 5.5619 1.7789 -0.7383 O.2 1 UNL11111111 -0.1971 16 C -1.6676 -2.2649 -0.2212 C.3 1 UNL11111111 0.0848 17 C -0.4178 -1.3588 -0.1814 C.3 1 UNL11111111 0.0770 18 C -2.9184 -1.5548 0.3273 C.3 1 UNL11111111 0.0666 19 C 0.8709 -2.2093 -0.2406 C.3 1 UNL11111111 0.0158 20 C -3.4739 -0.4833 -0.6293 C.3 1 UNL11111111 -0.0807 21 C 2.0938 -1.3184 -0.0059 C.2 1 UNL11111111 0.4137 22 C 2.3303 -0.2254 -1.0276 C.3 1 UNL11111111 -0.1400 23 H -1.5034 -3.2286 0.3190 H 1 UNL11111111 0.1685 24 H -0.4553 -0.6146 -1.0094 H 1 UNL11111111 0.1420 25 H -2.7328 -1.1485 1.3524 H 1 UNL11111111 0.1592 26 H 0.9393 -2.7611 -1.2081 H 1 UNL11111111 0.1780 27 H -4.3963 -0.8423 -1.1395 H 1 UNL11111111 0.1495 28 H -2.7468 -0.2039 -1.4145 H 1 UNL11111111 0.1594 29 H -2.6094 -3.1410 -1.7141 H 1 UNL11111111 0.3402 30 H -0.8727 0.1201 1.0623 H 1 UNL11111111 0.3489 31 H -4.6601 -2.3042 0.9176 H 1 UNL11111111 0.3317 32 H 1.6182 0.6145 -0.8504 H 1 UNL11111111 0.1696 33 H 2.1606 -0.6051 -2.0665 H 1 UNL11111111 0.1611 34 H 0.9044 -2.8505 1.6241 H 1 UNL11111111 0.3392 35 H -1.4368 2.7968 0.0181 H 1 UNL11111111 0.3320 36 H -4.6201 3.0632 -1.3691 H 1 UNL11111111 0.3287 37 H 3.5991 2.6803 1.1375 H 1 UNL11111111 0.3292 38 H 4.1220 -0.5154 1.2699 H 1 UNL11111111 0.3552 @BOND 1 1 7 1 2 1 10 1 3 1 11 1 4 1 12 2 5 2 8 1 6 2 13 1 7 2 14 1 8 2 15 2 9 3 16 1 10 3 29 1 11 4 17 1 12 4 30 1 13 5 18 1 14 5 31 1 15 6 19 1 16 6 34 1 17 7 20 1 18 8 22 1 19 9 21 2 20 10 35 1 21 11 36 1 22 13 37 1 23 14 38 1 24 16 17 1 25 16 18 1 26 16 23 1 27 17 19 1 28 17 24 1 29 18 20 1 30 18 25 1 31 19 21 1 32 19 26 1 33 20 27 1 34 20 28 1 35 21 22 1 36 22 32 1 37 22 33 1