@MOLECULE 91668148 32 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.1649 3.9498 1.0784 Cl 1 noname -0.0833 2 O1 1.1457 -4.2935 2.1284 O.3 1 noname -0.3956 3 N1 1.8311 1.2184 -0.1401 N.3 1 noname -0.0662 4 C1 2.1237 -3.7600 -0.0081 C.3 1 noname 0.0269 5 C2 -0.0375 -0.0825 -0.0726 C.2 1 noname -0.0266 6 C3 1.3838 -0.0585 -0.1256 C.2 1 noname -0.0833 7 C4 1.4003 -2.4924 -0.0477 C.2 1 noname -0.0429 8 C5 -0.4298 1.2374 0.0889 C.2 1 noname -0.0182 9 C6 2.1406 -1.2701 -0.0934 C.2 1 noname -0.0398 10 C7 0.7523 2.0206 -0.0204 C.2 1 noname -0.0812 11 C8 -0.7912 -1.2974 -0.0612 C.2 1 noname -0.0367 12 C9 -0.0321 -2.5067 -0.0398 C.2 1 noname -0.0499 13 C10 2.3839 -4.1535 1.4473 C.3 1 noname 0.0498 14 C11 3.4577 -3.6090 -0.7419 C.3 1 noname -0.0562 15 C12 -1.6931 1.7978 0.4404 C.2 1 noname -0.0066 16 C13 0.7216 3.4341 0.1564 C.2 1 noname -0.0355 17 C14 -1.7118 3.2039 0.6561 C.2 1 noname -0.0050 18 C15 -0.5368 3.9995 0.5253 C.2 1 noname -0.0174 19 H1 1.5279 -4.5335 -0.4927 H 1 noname 0.0373 20 H2 3.1606 -1.2633 -0.1025 H 1 noname 0.0645 21 H3 2.7546 1.5039 -0.2214 H 1 noname 0.1528 22 H4 -1.8112 -1.3001 -0.0679 H 1 noname 0.0629 23 H5 -0.5213 -3.4015 -0.0183 H 1 noname 0.0625 24 H6 2.9239 -5.0998 1.4769 H 1 noname 0.0569 25 H7 2.9796 -3.3799 1.9319 H 1 noname 0.0569 26 H8 3.9977 -4.5554 -0.7124 H 1 noname 0.0237 27 H9 3.2724 -3.3287 -1.7788 H 1 noname 0.0237 28 H10 4.0534 -2.8355 -0.2573 H 1 noname 0.0237 29 H11 -2.5324 1.2253 0.5317 H 1 noname 0.0645 30 H12 1.5529 4.0106 0.0266 H 1 noname 0.0643 31 H13 -0.5964 5.0026 0.7003 H 1 noname 0.0638 32 H14 1.3124 -4.5456 3.0606 H 1 noname 0.2100 @BOND 1 1 17 1 2 2 13 1 3 2 32 1 4 3 6 1 5 3 10 1 6 3 21 1 7 4 7 1 8 4 13 1 9 4 14 1 10 4 19 1 11 5 6 2 12 5 8 1 13 5 11 1 14 6 9 1 15 7 9 2 16 7 12 1 17 8 10 2 18 8 15 1 19 9 20 1 20 10 16 1 21 11 12 2 22 11 22 1 23 12 23 1 24 13 24 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1 29 15 17 2 30 15 29 1 31 16 18 2 32 16 30 1 33 17 18 1 34 18 31 1 @SUBSTRUCTURE 1 noname 1