@MOLECULE 112500534 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.1865 0.0892 -1.7317 O.3 1 noname -0.2745 2 N1 -5.0492 -1.9136 -3.6712 N.3 1 noname -0.3169 3 C1 -2.6372 -1.9898 -4.0528 C.3 1 noname 0.0155 4 C2 -3.7499 -1.9647 -3.0030 C.3 1 noname 0.0077 5 C3 -1.3396 -2.0408 -3.3855 C.2 1 noname -0.0536 6 C4 1.1217 -2.2131 -2.0491 C.2 1 noname -0.0324 7 C5 2.2960 -2.0520 -1.2116 C.3 1 noname 0.0303 8 C6 0.5445 -0.9407 -2.3351 C.2 1 noname -0.0044 9 C7 -0.6825 -0.8175 -3.0546 C.2 1 noname -0.0336 10 C8 2.1772 -0.5458 -0.8916 C.3 1 noname 0.0575 11 C9 -0.7653 -3.3140 -3.0831 C.2 1 noname -0.0748 12 C10 0.5050 -3.4390 -2.4409 C.2 1 noname -0.0547 13 C11 -3.5847 -0.7305 -2.1141 C.3 1 noname -0.0494 14 C12 -5.2071 -3.0930 -4.5207 C.3 1 noname -0.0161 15 H1 -2.7549 -2.8691 -4.6861 H 1 noname 0.0332 16 H2 -2.6954 -1.0903 -4.6656 H 1 noname 0.0332 17 H3 -3.6916 -2.8643 -2.3902 H 1 noname 0.0465 18 H4 2.1708 -2.6291 -0.2954 H 1 noname 0.0340 19 H5 3.1882 -2.3627 -1.7552 H 1 noname 0.0340 20 H6 -1.0667 0.0904 -3.3166 H 1 noname 0.0653 21 H7 1.9020 -0.4174 0.1553 H 1 noname 0.0575 22 H8 3.1436 -0.0527 -0.9959 H 1 noname 0.0575 23 H9 -1.2779 -4.1595 -3.3333 H 1 noname 0.0625 24 H10 0.9424 -4.3451 -2.2735 H 1 noname 0.0626 25 H11 -2.6160 -0.7686 -1.6159 H 1 noname 0.0246 26 H12 -4.3774 -0.7126 -1.3662 H 1 noname 0.0246 27 H13 -3.6430 0.1691 -2.7269 H 1 noname 0.0246 28 H14 -5.7925 -1.8969 -2.9700 H 1 noname 0.1221 29 H15 -6.1759 -3.0549 -5.0189 H 1 noname 0.0391 30 H16 -5.1488 -3.9926 -3.9079 H 1 noname 0.0391 31 H17 -4.4144 -3.1109 -5.2686 H 1 noname 0.0391 @BOND 1 1 8 1 2 1 10 1 3 2 4 1 4 2 14 1 5 2 28 1 6 3 4 1 7 3 5 1 8 3 15 1 9 3 16 1 10 4 13 1 11 4 17 1 12 5 9 2 13 5 11 1 14 6 7 1 15 6 8 2 16 6 12 1 17 7 10 1 18 7 18 1 19 7 19 1 20 8 9 1 21 9 20 1 22 10 21 1 23 10 22 1 24 11 12 2 25 11 23 1 26 12 24 1 27 13 25 1 28 13 26 1 29 13 27 1 30 14 29 1 31 14 30 1 32 14 31 1 @SUBSTRUCTURE 1 noname 1