@MOLECULE 91810596 28 28 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.2956 5.6200 0.8898 Cl 1 noname -0.1251 2 Cl2 5.0618 -0.3661 3.5926 Cl 1 noname -0.1252 3 P1 1.2933 0.7484 0.1817 P 1 noname -0.1155 4 O1 2.3821 0.6278 -0.9975 O.3 1 noname -0.1967 5 O2 0.6379 -0.5417 0.4328 O.2 1 noname -0.2567 6 O3 -1.5674 1.2493 -1.8381 O.2 1 noname -0.2833 7 N1 0.1986 1.8614 -0.3205 N.3 1 noname 0.1053 8 N2 2.0560 1.2633 1.5197 N.3 1 noname -0.0344 9 C1 0.7092 1.3393 -2.7702 C.3 1 noname 0.0466 10 C2 -0.3510 1.4642 -1.6469 C.2 1 noname 0.1007 11 C3 1.7845 0.3266 -2.2853 C.3 1 noname 0.0688 12 C4 -0.1674 3.0198 0.3954 C.3 1 noname 0.0322 13 C5 3.0948 0.3029 1.8886 C.3 1 noname 0.0212 14 C6 0.7516 4.1766 -0.0022 C.3 1 noname 0.0364 15 C7 3.8134 0.7881 3.1492 C.3 1 noname 0.0356 16 H1 0.2358 0.9606 -3.6761 H 1 noname 0.0385 17 H2 1.2137 2.2993 -2.8796 H 1 noname 0.0385 18 H3 1.3556 -0.6752 -2.2614 H 1 noname 0.0581 19 H4 2.5698 0.2783 -3.0396 H 1 noname 0.0581 20 H5 -1.2001 3.2796 0.1627 H 1 noname 0.0456 21 H6 -0.0723 2.8312 1.4647 H 1 noname 0.0456 22 H7 2.4827 2.1743 1.3394 H 1 noname 0.1368 23 H8 2.6396 -0.6686 2.0810 H 1 noname 0.0448 24 H9 3.8125 0.2129 1.0732 H 1 noname 0.0448 25 H10 0.6565 4.3651 -1.0716 H 1 noname 0.0448 26 H11 1.7843 3.9168 0.2305 H 1 noname 0.0448 27 H12 3.0957 0.8781 3.9647 H 1 noname 0.0448 28 H13 4.2685 1.7596 2.9569 H 1 noname 0.0448 @BOND 1 1 14 1 2 2 15 1 3 3 4 1 4 3 5 2 5 3 7 1 6 3 8 1 7 4 11 1 8 6 10 2 9 7 10 1 10 7 12 1 11 8 13 1 12 8 22 1 13 9 10 1 14 9 11 1 15 9 16 1 16 9 17 1 17 11 18 1 18 11 19 1 19 12 14 1 20 12 20 1 21 12 21 1 22 13 15 1 23 13 23 1 24 13 24 1 25 14 25 1 26 14 26 1 27 15 27 1 28 15 28 1 @SUBSTRUCTURE 1 noname 1