@MOLECULE 6-[bis(2-chloroethyl)amino]-6-deoxy-d-glucose 37 36 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.9602 3.7254 -0.2567 Cl 1 UNL111111111 -0.1579 2 CL 4.0054 -3.0075 0.9111 Cl 1 UNL111111111 -0.1625 3 O -0.8577 0.0184 0.7818 O.3 1 UNL111111111 -0.5847 4 O -2.0204 -1.7644 -2.0778 O.3 1 UNL111111111 -0.5485 5 O -4.1903 -1.6807 -0.7082 O.3 1 UNL111111111 -0.5482 6 O -2.8965 1.5856 -0.0068 O.3 1 UNL111111111 -0.5349 7 O -3.8881 0.9620 2.4393 O.2 1 UNL111111111 -0.3983 8 N 1.6683 -0.0494 -0.4024 N.3 1 UNL111111111 -0.4509 9 C -0.6669 -0.7392 -0.3980 C.3 1 UNL111111111 0.1083 10 C -2.0147 -0.7029 -1.1551 C.3 1 UNL111111111 0.0594 11 C 0.4575 -0.1148 -1.2535 C.3 1 UNL111111111 -0.1786 12 C -3.2102 -0.8226 -0.1815 C.3 1 UNL111111111 0.0541 13 C -3.8462 0.5639 0.0866 C.3 1 UNL111111111 -0.0036 14 C 2.5049 1.1322 -0.7213 C.3 1 UNL111111111 -0.1322 15 C 2.4471 -1.3092 -0.4445 C.3 1 UNL111111111 -0.1297 16 C 1.9646 2.2997 0.1076 C.3 1 UNL111111111 -0.1822 17 C 3.0685 -1.4972 0.9410 C.3 1 UNL111111111 -0.1808 18 C -4.4786 0.5511 1.4758 C.2 1 UNL111111111 0.2914 19 H -0.4135 -1.7750 -0.0800 H 1 UNL111111111 0.1345 20 H -2.1036 0.1952 -1.8116 H 1 UNL111111111 0.1715 21 H 0.5928 -0.6970 -2.1895 H 1 UNL111111111 0.1497 22 H 0.1564 0.9104 -1.5658 H 1 UNL111111111 0.1595 23 H -2.9195 -1.3361 0.7666 H 1 UNL111111111 0.1698 24 H -4.5931 0.8307 -0.6956 H 1 UNL111111111 0.1595 25 H 2.5109 1.3792 -1.8064 H 1 UNL111111111 0.1427 26 H 3.5677 0.9340 -0.4503 H 1 UNL111111111 0.1553 27 H 3.2267 -1.3115 -1.2385 H 1 UNL111111111 0.1410 28 H 1.7754 -2.1678 -0.6787 H 1 UNL111111111 0.1572 29 H 0.0222 0.2882 1.1433 H 1 UNL111111111 0.3573 30 H -2.2421 -2.6196 -1.6427 H 1 UNL111111111 0.3318 31 H 2.0409 2.1175 1.1919 H 1 UNL111111111 0.1628 32 H 0.9229 2.5611 -0.1404 H 1 UNL111111111 0.1630 33 H 2.3074 -1.6002 1.7322 H 1 UNL111111111 0.1659 34 H 3.7645 -0.6898 1.2163 H 1 UNL111111111 0.1584 35 H -4.3614 -1.4909 -1.6589 H 1 UNL111111111 0.3307 36 H -5.4904 0.1368 1.5513 H 1 UNL111111111 0.1166 37 H -2.0893 1.3397 0.5189 H 1 UNL111111111 0.3528 @BOND 1 1 16 1 2 2 17 1 3 3 9 1 4 3 29 1 5 4 10 1 6 4 30 1 7 5 12 1 8 5 35 1 9 6 13 1 10 6 37 1 11 7 18 2 12 8 11 1 13 8 14 1 14 8 15 1 15 9 10 1 16 9 11 1 17 9 19 1 18 10 12 1 19 10 20 1 20 11 21 1 21 11 22 1 22 12 13 1 23 12 23 1 24 13 18 1 25 13 24 1 26 14 16 1 27 14 25 1 28 14 26 1 29 15 17 1 30 15 27 1 31 15 28 1 32 16 31 1 33 16 32 1 34 17 33 1 35 17 34 1 36 18 36 1