@MOLECULE DB07383 33 33 1 SMALL USER_CHARGES @ATOM 1 F1 -4.7019 -3.2843 1.3378 F 1 noname -0.1654 2 C1 -3.9579 -2.1615 1.0818 C.3 1 noname 0.4442 3 F2 -4.4363 -1.5433 -0.0445 F 1 noname -0.1654 4 F3 -4.0456 -1.3026 2.1468 F 1 noname -0.1654 5 C2 -2.4960 -2.5570 0.8646 C.3 1 noname 0.2784 6 O1 -2.4052 -3.4466 -0.2384 O.3 1 noname -0.3574 7 O2 -2.0005 -3.1973 2.0312 O.3 1 noname -0.3574 8 C3 -1.6657 -1.3040 0.5789 C.3 1 noname 0.0812 9 N1 -1.7559 -0.4207 1.6742 N.3 1 noname -0.0749 10 C4 -0.2038 -1.6995 0.3617 C.3 1 noname -0.0064 11 C5 -2.2545 0.8112 1.5022 C.2 1 noname 0.0381 12 C6 0.5885 -0.5039 0.0890 C.2 1 noname -0.0542 13 O3 -2.3344 1.5943 2.4731 O.2 1 noname -0.2974 14 C7 -2.7043 1.2386 0.1806 C.3 1 noname 0.0095 15 C8 1.1757 0.1947 1.1375 C.2 1 noname -0.0567 16 C9 0.7555 -0.0641 -1.2189 C.2 1 noname -0.0567 17 C10 1.9300 1.3331 0.8779 C.2 1 noname -0.0604 18 C11 1.5098 1.0742 -1.4785 C.2 1 noname -0.0604 19 C12 2.0970 1.7728 -0.4300 C.2 1 noname -0.0616 20 H1 -2.4313 -4.3526 0.0781 H 1 noname 0.2139 21 H2 -2.0484 -4.1495 1.9184 H 1 noname 0.2139 22 H3 -2.0608 -0.7459 -0.2700 H 1 noname 0.0532 23 H4 -1.4562 -0.6764 2.6042 H 1 noname 0.1315 24 H5 0.1723 -2.1001 1.3031 H 1 noname 0.0334 25 H6 -0.1572 -2.3031 -0.5448 H 1 noname 0.0334 26 H7 -2.9132 0.3624 -0.4331 H 1 noname 0.0324 27 H8 -3.6103 1.8363 0.2809 H 1 noname 0.0324 28 H9 -1.9253 1.8363 -0.2927 H 1 noname 0.0324 29 H10 1.0447 -0.1501 2.1632 H 1 noname 0.0625 30 H11 0.2950 -0.6119 -2.0411 H 1 noname 0.0625 31 H12 2.3905 1.8809 1.7001 H 1 noname 0.0622 32 H13 1.6408 1.4191 -2.5042 H 1 noname 0.0622 33 H14 2.6885 2.6655 -0.6336 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 8 10 1 10 9 11 1 11 10 12 1 12 11 13 2 13 11 14 1 14 12 15 2 15 12 16 1 16 15 17 1 17 16 18 2 18 17 19 2 19 18 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 14 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 16 30 1 31 17 31 1 32 18 32 1 33 19 33 1 @SUBSTRUCTURE 1 noname 1