@MOLECULE 71587357 38 38 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.9066 3.4321 -2.0600 Cl 1 noname -0.0804 2 F1 3.6962 1.8972 -0.1410 F 1 noname -0.1660 3 F2 3.5957 0.7578 -2.1450 F 1 noname -0.1660 4 F3 3.5661 2.9563 -2.0654 F 1 noname -0.1660 5 O1 -0.1785 -2.1389 -0.3578 O.3 1 noname -0.3870 6 N1 -0.4791 -2.1543 2.4736 N.3 1 noname -0.3091 7 N2 0.9604 3.6947 -2.3539 N.3 1 noname -0.1377 8 C1 0.0874 -2.1455 3.8494 C.3 1 noname 0.0099 9 C2 -0.0909 -0.9571 1.6948 C.3 1 noname 0.0260 10 C3 -0.6553 -0.9756 0.3018 C.3 1 noname 0.0916 11 C4 -0.4000 -3.4275 4.5727 C.3 1 noname -0.0474 12 C5 1.6470 -2.1761 3.8006 C.3 1 noname -0.0474 13 C6 -0.4071 -0.9066 4.6568 C.3 1 noname -0.0474 14 C7 -0.1865 0.2450 -0.3802 C.2 1 noname -0.0559 15 C8 1.1930 0.4918 -0.5692 C.2 1 noname -0.0150 16 C9 -1.1474 1.1763 -0.8217 C.2 1 noname -0.0164 17 C10 1.6490 1.6563 -1.2320 C.2 1 noname -0.0110 18 C11 0.6454 2.5741 -1.7003 C.2 1 noname 0.0298 19 C12 -0.7413 2.3359 -1.4942 C.2 1 noname -0.0140 20 C13 3.1295 1.8272 -1.4010 C.3 1 noname 0.4176 21 H1 -0.4260 -0.0201 2.1409 H 1 noname 0.0458 22 H2 0.9839 -0.9194 1.5889 H 1 noname 0.0458 23 H3 -1.5000 -2.1415 2.5434 H 1 noname 0.1228 24 H4 -1.7399 -0.9953 0.4180 H 1 noname 0.0665 25 H5 -0.0012 -0.9214 5.6624 H 1 noname 0.0249 26 H6 0.0103 -3.4493 5.5874 H 1 noname 0.0249 27 H7 -1.4916 -3.4400 4.6335 H 1 noname 0.0249 28 H8 -0.0643 -4.3200 4.0373 H 1 noname 0.0249 29 H9 2.0599 -2.1946 4.8024 H 1 noname 0.0249 30 H10 1.9801 -3.0412 3.2145 H 1 noname 0.0249 31 H11 2.0746 -1.2741 3.3747 H 1 noname 0.0249 32 H12 -1.5037 -0.8904 4.6684 H 1 noname 0.0249 33 H13 -0.0417 0.0320 4.2524 H 1 noname 0.0249 34 H14 1.8879 -0.1815 -0.2266 H 1 noname 0.0633 35 H15 -2.1331 1.0229 -0.6782 H 1 noname 0.0642 36 H16 -0.5675 -2.0672 -1.2451 H 1 noname 0.2109 37 H17 1.8950 3.9113 -2.5247 H 1 noname 0.1243 38 H18 0.4620 3.7352 -3.1851 H 1 noname 0.1243 @BOND 1 1 19 1 2 2 20 1 3 3 20 1 4 4 20 1 5 10 5 1 6 5 36 1 7 6 8 1 8 6 9 1 9 6 23 1 10 7 18 1 11 7 37 1 12 7 38 1 13 8 11 1 14 8 12 1 15 8 13 1 16 9 10 1 17 9 21 1 18 9 22 1 19 10 14 1 20 10 24 1 21 11 26 1 22 11 27 1 23 11 28 1 24 12 29 1 25 12 30 1 26 12 31 1 27 13 25 1 28 13 32 1 29 13 33 1 30 14 15 2 31 14 16 1 32 15 17 1 33 15 34 1 34 16 19 2 35 16 35 1 36 17 18 2 37 17 20 1 38 18 19 1 @SUBSTRUCTURE 1 noname 1