@MOLECULE (2r,3r)-1,2,3-heptanetriol 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.0557 -2.0270 0.2452 O.3 1 UNL11111111 -0.5597 2 O 1.3867 0.1290 -1.4093 O.3 1 UNL11111111 -0.5679 3 O 3.2251 1.5189 0.1643 O.3 1 UNL11111111 -0.5668 4 C 0.3543 -0.8253 0.4767 C.3 1 UNL11111111 0.1314 5 C -1.0059 -0.8735 -0.2284 C.3 1 UNL11111111 -0.3328 6 C 1.2139 0.3583 -0.0214 C.3 1 UNL11111111 0.0750 7 C -1.9900 0.1234 0.3886 C.3 1 UNL11111111 -0.2650 8 C -3.3345 0.0800 -0.3514 C.3 1 UNL11111111 -0.2461 9 C 2.5849 0.3565 0.6719 C.3 1 UNL11111111 -0.0544 10 C -4.3209 1.0790 0.2533 C.3 1 UNL11111111 -0.4415 11 H 0.2472 -0.8115 1.5846 H 1 UNL11111111 0.1399 12 H -1.4081 -1.9042 -0.1577 H 1 UNL11111111 0.1575 13 H -0.8801 -0.6754 -1.3119 H 1 UNL11111111 0.1649 14 H 0.6986 1.3357 0.1012 H 1 UNL11111111 0.1403 15 H -1.5758 1.1485 0.3475 H 1 UNL11111111 0.1369 16 H -2.1444 -0.1027 1.4603 H 1 UNL11111111 0.1355 17 H -3.7573 -0.9414 -0.3097 H 1 UNL11111111 0.1341 18 H -3.1823 0.3018 -1.4250 H 1 UNL11111111 0.1374 19 H 2.4993 0.4390 1.7680 H 1 UNL11111111 0.1256 20 H 3.1724 -0.5404 0.4051 H 1 UNL11111111 0.1394 21 H -3.9457 2.1061 0.1827 H 1 UNL11111111 0.1428 22 H -5.2861 1.0466 -0.2640 H 1 UNL11111111 0.1399 23 H -4.5086 0.8679 1.3118 H 1 UNL11111111 0.1411 24 H 1.3012 -2.0906 -0.7052 H 1 UNL11111111 0.3337 25 H 2.0889 0.7270 -1.7499 H 1 UNL11111111 0.3387 26 H 4.1540 1.5557 0.4599 H 1 UNL11111111 0.3200 @BOND 1 25 2 1 2 18 8 1 3 2 6 1 4 13 5 1 5 24 1 1 6 8 17 1 7 8 10 1 8 8 7 1 9 22 10 1 10 5 12 1 11 5 7 1 12 5 4 1 13 6 14 1 14 6 4 1 15 6 9 1 16 3 26 1 17 3 9 1 18 21 10 1 19 1 4 1 20 10 23 1 21 15 7 1 22 7 16 1 23 20 9 1 24 4 11 1 25 9 19 1