@MOLECULE cori ester (alpha-anomer) 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 P -2.4461 -0.1220 0.2139 P.3 1 UNL11111111 0.3832 2 O 0.4331 0.7289 -1.1668 O.3 1 UNL11111111 -0.4417 3 O 3.0136 -2.0242 0.3615 O.3 1 UNL11111111 -0.5732 4 O -0.9314 -0.6469 0.1093 O.3 1 UNL11111111 -0.3753 5 O 2.9910 0.6577 1.3593 O.3 1 UNL11111111 -0.5521 6 O 0.4165 -2.8840 -0.6211 O.3 1 UNL11111111 -0.5429 7 O 0.5485 3.4944 -0.2848 O.3 1 UNL11111111 -0.5513 8 O -2.2307 1.4613 0.2422 O.3 1 UNL11111111 -0.4040 9 O -2.6825 -0.5053 1.7326 O.3 1 UNL11111111 -0.2531 10 O -3.4189 -0.6674 -0.7077 O.2 1 UNL11111111 -0.2467 11 C 1.8528 -1.2162 0.3441 C.3 1 UNL11111111 0.0502 12 C 2.3820 0.2206 0.1637 C.3 1 UNL11111111 0.0740 13 C 0.9574 -1.6101 -0.8403 C.3 1 UNL11111111 0.0231 14 C 1.1924 1.1749 -0.0474 C.3 1 UNL11111111 0.0453 15 C -0.1474 -0.5364 -1.0655 C.3 1 UNL11111111 0.3107 16 C 1.6191 2.5880 -0.4596 C.3 1 UNL11111111 -0.0144 17 H 1.3336 -1.3440 1.3200 H 1 UNL11111111 0.1496 18 H 3.1309 0.2753 -0.6553 H 1 UNL11111111 0.1439 19 H 1.5555 -1.7449 -1.7730 H 1 UNL11111111 0.1675 20 H 0.5546 1.2133 0.8652 H 1 UNL11111111 0.1656 21 H -0.6787 -0.6524 -2.0389 H 1 UNL11111111 0.1569 22 H 1.9310 2.6371 -1.5191 H 1 UNL11111111 0.1331 23 H 2.4205 2.9781 0.1982 H 1 UNL11111111 0.1574 24 H 2.7672 -2.9657 0.2232 H 1 UNL11111111 0.3397 25 H 3.6633 -0.0032 1.6437 H 1 UNL11111111 0.3377 26 H -0.3278 -2.8459 0.0238 H 1 UNL11111111 0.3407 27 H -0.3048 3.0317 -0.4416 H 1 UNL11111111 0.3308 28 H -2.9837 1.9098 -0.2835 H 1 UNL11111111 0.3309 29 H -1.9729 -0.0157 2.3054 H 1 UNL11111111 0.3142 @BOND 1 21 15 1 2 19 13 1 3 22 16 1 4 2 15 1 5 2 14 1 6 15 13 1 7 15 4 1 8 13 6 1 9 13 11 1 10 10 1 2 11 18 12 1 12 6 26 1 13 16 7 1 14 16 14 1 15 16 23 1 16 27 7 1 17 28 8 1 18 14 12 1 19 14 20 1 20 4 1 1 21 12 11 1 22 12 5 1 23 1 8 1 24 1 9 1 25 24 3 1 26 11 3 1 27 11 17 1 28 5 25 1 29 9 29 1