@MOLECULE DB01181 29 29 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.5813 -1.5095 1.4545 Cl 1 noname -0.1252 2 C1 3.5210 -0.2198 0.9075 C.3 1 noname 0.0359 3 C2 2.0741 -0.7171 0.9015 C.3 1 noname 0.0243 4 N1 1.1918 0.3561 0.4463 N.3 1 noname -0.0302 5 P1 -0.3648 -0.1789 0.4399 P 1 noname -0.1539 6 C3 1.6063 0.7959 -0.9012 C.3 1 noname 0.0129 7 O1 -0.5136 -1.3449 -0.4446 O.2 1 noname -0.2625 8 O2 -1.2366 1.0578 -0.1011 O.3 1 noname -0.2006 9 N2 -0.7797 -0.5623 1.9687 N.3 1 noname -0.0388 10 C4 0.7357 1.9258 -1.5175 C.3 1 noname -0.0150 11 C5 -0.7525 1.4870 -1.4092 C.3 1 noname 0.0618 12 C6 -2.1606 -1.0417 1.9933 C.3 1 noname 0.0212 13 C7 -2.5501 -1.4016 3.4284 C.3 1 noname 0.0356 14 Cl2 -4.2097 -1.9777 3.4580 Cl 1 noname -0.1252 15 H1 3.5273 0.5835 1.6442 H 1 noname 0.0448 16 H2 3.7357 -0.0015 -0.1387 H 1 noname 0.0448 17 H3 2.0002 -1.5048 0.1517 H 1 noname 0.0451 18 H4 1.7918 -0.9199 1.9346 H 1 noname 0.0451 19 H5 2.6031 1.2133 -0.7594 H 1 noname 0.0440 20 H6 1.4678 -0.0825 -1.5315 H 1 noname 0.0440 21 H7 -0.2347 -0.5081 2.8173 H 1 noname 0.1367 22 H8 0.8585 2.8063 -0.8868 H 1 noname 0.0303 23 H9 0.9798 1.9771 -2.5786 H 1 noname 0.0303 24 H10 -0.8548 0.5950 -2.0271 H 1 noname 0.0576 25 H11 -1.3498 2.3724 -1.6271 H 1 noname 0.0576 26 H12 -2.7773 -0.1966 1.6874 H 1 noname 0.0448 27 H13 -2.1693 -1.9622 1.4096 H 1 noname 0.0448 28 H14 -1.8830 -2.2226 3.6913 H 1 noname 0.0448 29 H15 -2.4910 -0.4570 3.9691 H 1 noname 0.0448 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 5 7 2 7 5 8 1 8 5 9 1 9 6 10 1 10 8 11 1 11 9 12 1 12 10 11 1 13 12 13 1 14 13 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 6 19 1 20 6 20 1 21 9 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 @SUBSTRUCTURE 1 noname 1