@MOLECULE 76964947 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 3.1641 2.3446 -0.7911 Cl 1 noname -0.0266 2 F1 5.0360 -2.2817 3.9148 F 1 noname -0.1660 3 N1 1.4781 0.2778 -0.4084 N.3 1 noname -0.0007 4 N2 0.5762 2.2697 -0.0440 N.2 1 noname -0.2005 5 C1 2.4218 -0.7238 -0.7157 C.3 1 noname -0.0078 6 C2 0.1989 0.0856 -0.0676 C.2 1 noname -0.0489 7 C3 -0.3745 1.3518 0.1639 C.2 1 noname 0.0156 8 C4 3.1106 -1.1343 0.5044 C.2 1 noname -0.0508 9 C5 1.6963 1.6091 -0.4031 C.2 1 noname 0.0120 10 C6 -0.5752 -1.1066 -0.0476 C.2 1 noname -0.0333 11 C7 -1.7609 1.5127 0.4339 C.2 1 noname -0.0095 12 C8 3.0413 -2.4555 0.9307 C.2 1 noname -0.0412 13 C9 3.8357 -0.2039 1.2397 C.2 1 noname -0.0412 14 C10 -1.9827 -0.9675 0.2020 C.2 1 noname -0.0474 15 C11 -2.5673 0.3242 0.4410 C.2 1 noname -0.0438 16 C12 3.6971 -2.8463 2.0923 C.2 1 noname -0.0073 17 C13 4.4915 -0.5947 2.4013 C.2 1 noname -0.0073 18 C14 4.4222 -1.9159 2.8275 C.2 1 noname 0.0168 19 H1 1.9112 -1.5827 -1.1512 H 1 noname 0.0524 20 H2 3.1476 -0.3326 -1.4287 H 1 noname 0.0524 21 H3 -0.1498 -2.0204 -0.2036 H 1 noname 0.0643 22 H4 -2.1652 2.4316 0.6146 H 1 noname 0.0645 23 H5 2.5092 -3.1382 0.3911 H 1 noname 0.0627 24 H6 3.8866 0.7656 0.9268 H 1 noname 0.0627 25 H7 -2.5762 -1.7971 0.2099 H 1 noname 0.0623 26 H8 -3.5691 0.3976 0.6181 H 1 noname 0.0623 27 H9 3.6462 -3.8158 2.4051 H 1 noname 0.0653 28 H10 5.0236 0.0881 2.9408 H 1 noname 0.0653 @BOND 1 1 9 1 2 2 18 1 3 3 5 1 4 3 6 1 5 3 9 1 6 4 7 1 7 4 9 2 8 5 8 1 9 5 19 1 10 5 20 1 11 6 7 1 12 6 10 2 13 7 11 2 14 8 12 2 15 8 13 1 16 10 14 1 17 10 21 1 18 11 15 1 19 11 22 1 20 12 16 1 21 12 23 1 22 13 17 2 23 13 24 1 24 14 15 2 25 14 25 1 26 15 26 1 27 16 18 2 28 16 27 1 29 17 18 1 30 17 28 1 @SUBSTRUCTURE 1 noname 1