@MOLECULE 71230671 42 44 1 SMALL USER_CHARGES @ATOM 1 Cl1 -5.6484 -8.9475 2.2722 Cl 1 noname -0.0871 2 F1 -4.9145 0.3211 1.6914 F 1 noname -0.1661 3 F2 -3.5859 -1.1481 2.6308 F 1 noname -0.1661 4 F3 -2.7490 0.4681 1.4537 F 1 noname -0.1661 5 O1 -2.0097 0.4378 -0.9776 O.3 1 noname -0.3836 6 O2 -6.6634 -3.8110 -0.4827 O.3 1 noname -0.2037 7 N1 0.3988 -0.5193 0.3138 N.3 1 noname 0.0177 8 N2 1.3293 -0.5836 -0.5702 N.2 1 noname -0.2524 9 N3 1.8729 1.0181 0.8135 N.2 1 noname -0.1978 10 C1 -1.7523 -0.9387 -0.9809 C.3 1 noname 0.1052 11 C2 -3.1094 -1.6125 -0.8173 C.2 1 noname -0.0125 12 C3 -0.7657 -1.3523 0.1789 C.3 1 noname 0.0004 13 C4 -1.0213 -1.0766 -2.3467 C.3 1 noname -0.0301 14 C5 -3.9894 -1.3710 0.3048 C.2 1 noname 0.0151 15 C6 -3.5377 -2.5593 -1.8063 C.2 1 noname -0.0266 16 C7 -5.1974 -2.0996 0.3542 C.2 1 noname 0.0144 17 C8 -4.7703 -3.2036 -1.7498 C.2 1 noname -0.0171 18 C9 -5.5902 -2.9949 -0.6479 C.2 1 noname 0.0145 19 C10 -3.7892 -0.4372 1.4795 C.3 1 noname 0.4165 20 C11 0.7367 0.4278 1.2140 C.2 1 noname -0.0077 21 C12 2.2131 0.3686 -0.3090 C.2 1 noname 0.0761 22 C13 -6.3510 -5.0051 0.1548 C.2 1 noname 0.0083 23 C14 -7.4097 -5.9133 0.3401 C.2 1 noname -0.0131 24 C15 -5.0610 -5.3809 0.6424 C.2 1 noname -0.0131 25 C16 -7.2043 -7.1330 0.9936 C.2 1 noname -0.0154 26 C17 -4.8547 -6.5966 1.2930 C.2 1 noname -0.0154 27 C18 -5.9261 -7.4839 1.4765 C.2 1 noname -0.0198 28 H1 -1.2621 -1.3976 1.1400 H 1 noname 0.0524 29 H2 -0.4446 -2.3555 -0.1017 H 1 noname 0.0524 30 H3 -0.7448 -2.1186 -2.5072 H 1 noname 0.0264 31 H4 -1.6836 -0.7488 -3.1479 H 1 noname 0.0264 32 H5 -0.1232 -0.4589 -2.3421 H 1 noname 0.0264 33 H6 -2.9573 -2.8325 -2.5944 H 1 noname 0.0627 34 H7 -5.8046 -2.0454 1.1765 H 1 noname 0.0656 35 H8 -2.6095 0.6597 -1.7202 H 1 noname 0.2113 36 H9 -5.0177 -3.9044 -2.4601 H 1 noname 0.0650 37 H10 0.2104 0.6984 2.0597 H 1 noname 0.1030 38 H11 3.0143 0.5693 -0.9061 H 1 noname 0.1079 39 H12 -8.3486 -5.6690 -0.0092 H 1 noname 0.0650 40 H13 -4.2515 -4.7692 0.5324 H 1 noname 0.0650 41 H14 -7.9973 -7.7707 1.1199 H 1 noname 0.0639 42 H15 -3.9180 -6.8293 1.6343 H 1 noname 0.0639 @BOND 1 1 27 1 2 2 19 1 3 3 19 1 4 4 19 1 5 5 10 1 6 5 35 1 7 6 18 1 8 6 22 1 9 7 8 1 10 7 12 1 11 7 20 1 12 8 21 2 13 9 20 2 14 9 21 1 15 10 11 1 16 10 12 1 17 10 13 1 18 11 14 2 19 11 15 1 20 12 28 1 21 12 29 1 22 13 30 1 23 13 31 1 24 13 32 1 25 14 16 1 26 14 19 1 27 15 17 2 28 15 33 1 29 16 18 2 30 16 34 1 31 17 18 1 32 17 36 1 33 20 37 1 34 21 38 1 35 22 23 2 36 22 24 1 37 23 25 1 38 23 39 1 39 24 26 2 40 24 40 1 41 25 27 2 42 25 41 1 43 26 27 1 44 26 42 1 @SUBSTRUCTURE 1 noname 1