@MOLECULE 56924631 33 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 1.8230 -0.9835 1.1000 Cl 1 noname -0.0802 2 Cl2 -2.9982 1.0425 -0.5417 Cl 1 noname -0.0802 3 O1 -1.0605 -3.0364 1.2141 O.2 1 noname -0.2887 4 O2 -5.5392 -0.8601 5.0568 O.3 1 noname -0.1733 5 O3 -3.7449 -2.1673 5.3475 O.2 1 noname -0.2130 6 N1 -2.7460 -1.4602 1.4443 N.3 1 noname 0.0446 7 N2 -4.0978 -1.2491 3.2972 N.2 1 noname -0.1254 8 N3 -2.1234 -2.3908 3.3801 N.3 1 noname -0.1203 9 C1 -0.9566 -1.2327 -0.2075 C.3 1 noname 0.0497 10 C2 -0.5572 0.1021 0.2878 C.2 1 noname 0.0153 11 C3 0.7122 0.2907 0.8949 C.2 1 noname 0.0042 12 C4 -1.4529 1.1963 0.1599 C.2 1 noname 0.0042 13 C5 -1.6197 -1.9728 0.8452 C.2 1 noname 0.0762 14 C6 1.0814 1.5708 1.3444 C.2 1 noname -0.0231 15 C7 -1.0656 2.4663 0.6194 C.2 1 noname -0.0231 16 C8 0.1970 2.6545 1.2066 C.2 1 noname -0.0409 17 C9 -3.0296 -1.6968 2.7168 C.2 1 noname -0.0574 18 C10 -5.5732 -0.6045 6.4640 C.3 1 noname 0.0555 19 C11 -6.9317 -0.0789 6.8071 C.3 1 noname -0.0409 20 C12 -4.4308 -1.4451 4.5693 C.2 1 noname 0.1610 21 H1 -1.6251 -1.1653 -1.0472 H 1 noname 0.0412 22 H2 -0.0892 -1.7914 -0.5384 H 1 noname 0.0412 23 H3 1.9975 1.7155 1.7721 H 1 noname 0.0638 24 H4 -1.7038 3.2579 0.5227 H 1 noname 0.0638 25 H5 0.4723 3.5811 1.5340 H 1 noname 0.0623 26 H6 -3.3228 -0.8654 0.9495 H 1 noname 0.1396 27 H7 -5.3895 -1.5021 7.0672 H 1 noname 0.0570 28 H8 -4.7849 0.1275 6.6769 H 1 noname 0.0570 29 H9 -6.9457 0.1542 7.8740 H 1 noname 0.0254 30 H10 -7.6769 -0.8465 6.5774 H 1 noname 0.0254 31 H11 -7.1193 0.8209 6.2161 H 1 noname 0.0254 32 H12 -2.1916 -2.6922 4.2861 H 1 noname 0.1268 33 H13 -1.7983 -3.1147 2.8222 H 1 noname 0.1268 @BOND 1 1 11 1 2 2 12 1 3 3 13 2 4 4 18 1 5 4 20 1 6 5 20 2 7 6 13 1 8 6 17 1 9 6 26 1 10 7 17 2 11 7 20 1 12 8 17 1 13 8 32 1 14 8 33 1 15 9 10 1 16 9 13 1 17 9 21 1 18 9 22 1 19 10 11 2 20 10 12 1 21 11 14 1 22 12 15 2 23 14 16 2 24 14 23 1 25 15 16 1 26 15 24 1 27 16 25 1 28 18 19 1 29 18 27 1 30 18 28 1 31 19 29 1 32 19 30 1 33 19 31 1 @SUBSTRUCTURE 1 noname 1