@MOLECULE DB06803 29 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.6948 -1.0028 1.7357 Cl 1 noname -0.0713 2 C1 0.4311 -0.0040 0.4020 C.2 1 noname 0.0370 3 C2 1.3144 -0.0297 -0.6710 C.2 1 noname 0.0409 4 C3 -0.6694 0.8447 0.3761 C.2 1 noname 0.0639 5 N1 2.3754 -0.8478 -0.6459 N.3 1 noname -0.1277 6 C4 1.0972 0.7933 -1.7699 C.2 1 noname -0.0001 7 C5 -0.8867 1.6676 -0.7229 C.2 1 noname 0.0414 8 C6 2.9438 -1.1723 0.5233 C.2 1 noname 0.0973 9 C7 -0.0034 1.6419 -1.7958 C.2 1 noname 0.0353 10 N2 -1.9199 2.4644 -0.7472 N.2 1 noname -0.0151 11 O1 2.4844 -0.7117 1.5907 O.2 1 noname -0.2745 12 C8 4.0444 -2.0209 0.5493 C.2 1 noname 0.0247 13 O2 -2.8976 2.1678 -0.1874 O.2 1 noname -0.1447 14 O3 -1.8599 3.5588 -1.3788 O.3 1 noname -0.1447 15 C9 4.6340 -2.3575 1.7622 C.2 1 noname 0.0456 16 C10 4.5553 -2.5330 -0.6377 C.2 1 noname 0.0278 17 O4 4.1379 -1.8601 2.9150 O.3 1 noname -0.2774 18 C11 5.7346 -3.2061 1.7882 C.2 1 noname -0.0074 19 C12 5.6558 -3.3817 -0.6117 C.2 1 noname -0.0111 20 C13 6.2455 -3.7182 0.6012 C.2 1 noname 0.0022 21 Cl2 6.2758 -4.0032 -2.0523 Cl 1 noname -0.0861 22 H1 -1.3621 0.8648 1.2174 H 1 noname 0.0663 23 H2 2.7466 -1.2199 -1.5084 H 1 noname 0.1375 24 H3 1.7898 0.7731 -2.6113 H 1 noname 0.0640 25 H4 -0.1738 2.2873 -2.6576 H 1 noname 0.0647 26 H5 4.0929 -2.2691 -1.5888 H 1 noname 0.0647 27 H6 3.8884 -2.5836 3.4945 H 1 noname 0.2182 28 H7 6.1970 -3.4700 2.7393 H 1 noname 0.0650 29 H8 7.1085 -4.3837 0.6216 H 1 noname 0.0639 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 2 16 12 16 1 17 15 17 1 18 15 18 1 19 16 19 2 20 18 20 2 21 19 21 1 22 19 20 1 23 4 22 1 24 5 23 1 25 6 24 1 26 9 25 1 27 16 26 1 28 17 27 1 29 18 28 1 30 20 29 1 @SUBSTRUCTURE 1 noname 1