@MOLECULE beta-d-mannopyranose 6-(dihydrogen phosphate) 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 P -3.3542 -0.0092 0.0587 P.3 1 UNL11111111 0.3693 2 O 1.3438 -1.3631 -0.0373 O.3 1 UNL11111111 -0.4491 3 O 0.4013 2.1446 0.3389 O.3 1 UNL11111111 -0.5790 4 O 3.2366 2.2419 -0.1662 O.3 1 UNL11111111 -0.5686 5 O 3.6704 -0.2253 -1.1193 O.3 1 UNL11111111 -0.5449 6 O 3.2616 -2.4727 0.2920 O.3 1 UNL11111111 -0.5155 7 O -1.7767 0.1243 0.2292 O.3 1 UNL11111111 -0.3158 8 O -3.6754 -1.5729 0.1602 O.3 1 UNL11111111 -0.4271 9 O -3.6731 0.2585 -1.4735 O.3 1 UNL11111111 -0.2992 10 O -3.9665 0.9188 0.9877 O.2 1 UNL11111111 -0.2008 11 C 1.1304 1.0465 -0.1618 C.3 1 UNL11111111 0.0555 12 C 2.5246 1.2021 0.4802 C.3 1 UNL11111111 0.0651 13 C 0.4850 -0.2863 0.2736 C.3 1 UNL11111111 0.0384 14 C 3.3803 -0.0556 0.2511 C.3 1 UNL11111111 0.0217 15 C 2.5846 -1.3222 0.6592 C.3 1 UNL11111111 0.3295 16 C -0.7967 -0.6067 -0.5302 C.3 1 UNL11111111 -0.0376 17 H 1.1845 1.1470 -1.2681 H 1 UNL11111111 0.1493 18 H 2.4442 1.4663 1.5577 H 1 UNL11111111 0.1448 19 H 0.2657 -0.2773 1.3681 H 1 UNL11111111 0.1495 20 H 4.3480 0.0032 0.7959 H 1 UNL11111111 0.1498 21 H 2.4091 -1.4213 1.7507 H 1 UNL11111111 0.1335 22 H -0.9630 -1.7038 -0.5476 H 1 UNL11111111 0.1518 23 H -0.7397 -0.2287 -1.5680 H 1 UNL11111111 0.1355 24 H -0.5677 1.9771 0.2845 H 1 UNL11111111 0.3557 25 H 2.6673 3.0426 -0.2268 H 1 UNL11111111 0.3446 26 H 3.9247 0.6463 -1.5057 H 1 UNL11111111 0.3442 27 H 3.4318 -2.4794 -0.6840 H 1 UNL11111111 0.3497 28 H -3.7889 -1.8416 1.1359 H 1 UNL11111111 0.3342 29 H -3.7615 -0.6414 -1.9684 H 1 UNL11111111 0.3154 @BOND 1 29 9 1 2 23 16 1 3 26 5 1 4 9 1 1 5 17 11 1 6 5 14 1 7 27 6 1 8 22 16 1 9 16 7 1 10 16 13 1 11 25 4 1 12 4 12 1 13 11 13 1 14 11 3 1 15 11 12 1 16 2 13 1 17 2 15 1 18 1 8 1 19 1 7 1 20 1 10 2 21 8 28 1 22 14 12 1 23 14 15 1 24 14 20 1 25 13 19 1 26 24 3 1 27 6 15 1 28 12 18 1 29 15 21 1