@MOLECULE 73053710 44 47 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.5515 -4.0599 4.3654 Cl 1 noname -0.0808 2 F1 5.6658 -6.8948 -9.4239 F 1 noname -0.1645 3 F2 4.4726 -5.3136 -10.4672 F 1 noname -0.1645 4 F3 3.4422 -7.0968 -9.5892 F 1 noname -0.1645 5 N1 0.8954 -0.3333 1.7775 N.3 1 noname -0.0472 6 N2 4.9243 -2.5051 -4.1353 N.3 1 noname -0.1074 7 N3 1.1933 -2.1696 3.3749 N.2 1 noname -0.2455 8 N4 3.7127 -0.9537 -2.9202 N.2 1 noname -0.2680 9 N5 5.2529 -4.5553 -7.8082 N.2 1 noname -0.2176 10 C1 3.0463 -0.1183 1.1873 C.2 1 noname -0.0268 11 C2 4.2429 0.3594 0.4707 C.3 1 noname 0.0484 12 C3 2.9666 -1.1550 2.1008 C.2 1 noname -0.0026 13 C4 4.4695 -0.3696 -0.7720 C.2 1 noname -0.0544 14 C5 1.6112 -1.2497 2.4523 C.2 1 noname 0.0635 15 C6 1.7480 0.3772 1.0129 C.2 1 noname -0.1220 16 C7 3.9151 -2.0457 2.6823 C.2 1 noname -0.0002 17 C8 5.6593 -1.1390 -0.9286 C.2 1 noname -0.0441 18 C9 3.4900 -0.2446 -1.7926 C.2 1 noname -0.0069 19 C10 4.8391 -1.7383 -3.0624 C.2 1 noname 0.0187 20 C11 3.8782 -3.3945 -4.5029 C.3 1 noname 0.0280 21 C12 5.8998 -1.8549 -2.1193 C.2 1 noname -0.0365 22 C13 3.4636 -2.9938 3.6402 C.2 1 noname -0.0116 23 C14 4.0999 -4.0770 -5.7627 C.2 1 noname -0.0110 24 C15 2.0807 -3.0320 3.9800 C.2 1 noname 0.0249 25 C16 3.1282 -5.0501 -6.1289 C.2 1 noname -0.0226 26 C17 5.1928 -3.8323 -6.6430 C.2 1 noname 0.0147 27 C18 3.2061 -5.7931 -7.3433 C.2 1 noname 0.0116 28 C19 4.3183 -5.4977 -8.1676 C.2 1 noname 0.0492 29 C20 4.4772 -6.2116 -9.4312 C.3 1 noname 0.4330 30 H1 4.1365 1.4224 0.2541 H 1 noname 0.0367 31 H2 5.1139 0.1421 1.0890 H 1 noname 0.0367 32 H3 1.4888 1.1530 0.4036 H 1 noname 0.0792 33 H4 -0.0647 -0.2060 1.8314 H 1 noname 0.1537 34 H5 4.8989 -2.0036 2.4162 H 1 noname 0.0646 35 H6 6.3430 -1.1720 -0.1723 H 1 noname 0.0627 36 H7 2.6663 0.3464 -1.6806 H 1 noname 0.0842 37 H8 2.9357 -2.8486 -4.5463 H 1 noname 0.0483 38 H9 3.6857 -4.1243 -3.7166 H 1 noname 0.0483 39 H10 6.7456 -2.3997 -2.2877 H 1 noname 0.0656 40 H11 5.7673 -2.9847 -4.1239 H 1 noname 0.1300 41 H12 1.7464 -3.7006 4.6741 H 1 noname 0.0856 42 H13 2.3456 -5.2229 -5.4979 H 1 noname 0.0627 43 H14 5.9080 -3.1418 -6.4146 H 1 noname 0.0842 44 H15 2.5075 -6.4903 -7.6007 H 1 noname 0.0645 @BOND 1 1 22 1 2 2 29 1 3 3 29 1 4 4 29 1 5 5 14 1 6 5 15 1 7 5 33 1 8 6 19 1 9 6 20 1 10 6 40 1 11 7 14 1 12 7 24 2 13 8 18 1 14 8 19 2 15 9 26 1 16 9 28 2 17 10 11 1 18 10 12 1 19 10 15 2 20 11 13 1 21 11 30 1 22 11 31 1 23 12 14 2 24 12 16 1 25 13 17 1 26 13 18 2 27 15 32 1 28 16 22 2 29 16 34 1 30 17 21 2 31 17 35 1 32 18 36 1 33 19 21 1 34 20 23 1 35 20 37 1 36 20 38 1 37 21 39 1 38 22 24 1 39 23 25 1 40 23 26 2 41 24 41 1 42 25 27 2 43 25 42 1 44 26 43 1 45 27 28 1 46 27 44 1 47 28 29 1 @SUBSTRUCTURE 1 noname 1