@MOLECULE 86306229 29 28 1 SMALL USER_CHARGES @ATOM 1 O1 0.7610 -0.8997 0.0136 O.3 1 noname -0.2061 2 O2 -0.0961 1.1394 -0.4108 O.2 1 noname -0.2531 3 C1 -1.5930 -0.6651 -0.5599 C.3 1 noname 0.0420 4 C2 2.8441 -1.5148 1.0566 C.3 1 noname -0.0229 5 C3 -1.5132 -1.6573 -1.7218 C.3 1 noname -0.0442 6 C4 1.8083 -0.4101 0.8381 C.3 1 noname 0.0587 7 C5 -0.2715 -0.0946 -0.3154 C.2 1 noname 0.1415 8 C6 -2.0760 -1.3902 0.6978 C.3 1 noname -0.0531 9 C7 3.9726 -0.9873 1.9450 C.3 1 noname -0.0606 10 C8 2.1770 -2.7122 1.7365 C.3 1 noname -0.0606 11 C9 -1.0302 -0.9321 -2.9794 C.3 1 noname -0.0646 12 H1 -2.2924 0.1325 -0.8106 H 1 noname 0.0406 13 H2 3.2533 -1.8246 0.0950 H 1 noname 0.0320 14 H3 -2.4998 -2.0832 -1.9042 H 1 noname 0.0272 15 H4 -0.8138 -2.4549 -1.4711 H 1 noname 0.0272 16 H5 1.3991 -0.1004 1.7997 H 1 noname 0.0575 17 H6 2.2835 0.4429 0.3537 H 1 noname 0.0575 18 H7 -2.1329 -0.6834 1.5256 H 1 noname 0.0238 19 H8 -3.0626 -1.8162 0.5153 H 1 noname 0.0238 20 H9 -1.3766 -2.1878 0.9485 H 1 noname 0.0238 21 H10 4.7105 -1.7743 2.1007 H 1 noname 0.0234 22 H11 3.5634 -0.6776 2.9066 H 1 noname 0.0234 23 H12 4.4478 -0.1343 1.4606 H 1 noname 0.0234 24 H13 2.9149 -3.4991 1.8922 H 1 noname 0.0234 25 H14 1.3731 -3.0879 1.1036 H 1 noname 0.0234 26 H15 1.7678 -2.4024 2.6981 H 1 noname 0.0234 27 H16 -0.9733 -1.6390 -3.8072 H 1 noname 0.0231 28 H17 -1.7296 -0.1346 -3.2301 H 1 noname 0.0231 29 H18 -0.0436 -0.5062 -2.7970 H 1 noname 0.0231 @BOND 1 1 6 1 2 1 7 1 3 2 7 2 4 3 5 1 5 3 7 1 6 3 8 1 7 3 12 1 8 4 6 1 9 4 9 1 10 4 10 1 11 4 13 1 12 5 11 1 13 5 14 1 14 5 15 1 15 6 16 1 16 6 17 1 17 8 18 1 18 8 19 1 19 8 20 1 20 9 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 @SUBSTRUCTURE 1 noname 1