@MOLECULE DB04336 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.1104 -2.1251 -0.4833 Cl 1 noname -0.0853 2 C1 1.2818 -0.4471 -0.5092 C.2 1 noname -0.0119 3 C2 1.8550 0.2098 0.5733 C.2 1 noname -0.0192 4 C3 0.8497 0.2787 -1.6132 C.2 1 noname -0.0192 5 C4 1.9963 1.5924 0.5520 C.2 1 noname -0.0239 6 C5 0.9909 1.6613 -1.6345 C.2 1 noname -0.0239 7 C6 1.5642 2.3182 -0.5520 C.2 1 noname -0.0172 8 N1 1.7004 3.6511 -0.5726 N.3 1 noname -0.1263 9 C7 1.6642 4.3461 0.5726 C.2 1 noname 0.1200 10 O1 1.5034 3.7510 1.6600 O.2 1 noname -0.2544 11 N2 1.8003 5.6790 0.5520 N.3 1 noname -0.1251 12 C8 1.7641 6.3739 1.6971 C.2 1 noname -0.0173 13 C9 1.9054 7.7566 1.6757 C.2 1 noname -0.0256 14 C10 1.5854 5.7122 2.9063 C.2 1 noname -0.0256 15 C11 1.8678 8.4775 2.8636 C.2 1 noname -0.0287 16 C12 1.5478 6.4331 4.0942 C.2 1 noname -0.0287 17 C13 1.6891 7.8157 4.0728 C.2 1 noname -0.0249 18 C14 1.6523 8.5210 5.2350 C.2 1 noname -0.0774 19 N3 1.4884 7.9140 6.3442 N.2 1 noname -0.2747 20 N4 1.7854 9.8241 5.2149 N.3 1 noname -0.1374 21 H1 2.1938 -0.3593 1.4390 H 1 noname 0.0638 22 H2 0.4002 -0.2364 -2.4621 H 1 noname 0.0638 23 H3 2.4458 2.1075 1.4009 H 1 noname 0.0639 24 H4 0.6521 2.2305 -2.5002 H 1 noname 0.0639 25 H5 1.8302 4.1320 -1.4512 H 1 noname 0.1385 26 H6 1.9302 6.1598 -0.3267 H 1 noname 0.1385 27 H7 2.0455 8.2755 0.7275 H 1 noname 0.0639 28 H8 1.4746 4.6280 2.9231 H 1 noname 0.0639 29 H9 1.9786 9.5617 2.8468 H 1 noname 0.0630 30 H10 1.4077 5.9141 5.0424 H 1 noname 0.0630 31 H11 1.5114 6.9164 6.1886 H 1 noname 0.1888 32 H12 2.7069 10.2376 5.2072 H 1 noname 0.1257 33 H13 0.9666 10.4153 5.2072 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 2 14 12 14 1 15 13 15 1 16 14 16 2 17 15 17 2 18 16 17 1 19 17 18 1 20 18 19 2 21 18 20 1 22 3 21 1 23 4 22 1 24 5 23 1 25 6 24 1 26 8 25 1 27 11 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 16 30 1 32 19 31 1 33 20 32 1 34 20 33 1 @SUBSTRUCTURE 1 noname 1