@MOLECULE DB04677 33 33 1 SMALL USER_CHARGES @ATOM 1 N1 -2.8016 -1.8189 0.5601 N.3 1 noname -0.2996 2 C1 -1.7172 -1.0031 1.1041 C.3 1 noname 0.0108 3 C2 -4.0833 -1.1708 0.8334 C.3 1 noname 0.0161 4 C3 -2.7798 -3.1395 1.1871 C.3 1 noname -0.0127 5 C4 -1.7401 0.3788 0.4479 C.3 1 noname 0.0147 6 C5 -0.3759 -1.6814 0.8181 C.3 1 noname -0.0492 7 C6 -5.1440 -1.9687 0.3012 C.2 1 noname -0.0860 8 C7 -0.6571 1.1935 0.9912 C.2 1 noname -0.0568 9 C8 -5.9576 -1.4635 -0.6217 C.2 1 noname -0.0934 10 C9 0.5931 1.1822 0.3837 C.2 1 noname -0.0634 11 C10 -0.8763 1.9804 2.1159 C.2 1 noname -0.0634 12 C11 1.6241 1.9578 0.9010 C.2 1 noname -0.0629 13 C12 0.1547 2.7560 2.6331 C.2 1 noname -0.0629 14 C13 1.4049 2.7447 2.0257 C.2 1 noname -0.0681 15 H1 -1.8863 -0.9222 2.1778 H 1 noname 0.0467 16 H2 -4.2162 -1.1643 1.9152 H 1 noname 0.0474 17 H3 -4.0947 -0.2334 0.2772 H 1 noname 0.0474 18 H4 -2.7817 -3.0269 2.2713 H 1 noname 0.0394 19 H5 -3.6606 -3.7027 0.8787 H 1 noname 0.0394 20 H6 -1.8809 -3.6733 0.8787 H 1 noname 0.0394 21 H7 -1.5129 0.2449 -0.6097 H 1 noname 0.0332 22 H8 -2.6651 0.8708 0.7486 H 1 noname 0.0332 23 H9 0.1140 -1.9292 1.7597 H 1 noname 0.0246 24 H10 -0.5447 -2.5933 0.2454 H 1 noname 0.0246 25 H11 0.2585 -1.0049 0.2454 H 1 noname 0.0246 26 H12 -5.3388 -2.9960 0.6093 H 1 noname 0.0583 27 H13 -5.7930 -0.4546 -0.9999 H 1 noname 0.0535 28 H14 -6.7889 -2.0585 -0.9999 H 1 noname 0.0535 29 H15 0.7650 0.5652 -0.4982 H 1 noname 0.0625 30 H16 -1.8567 1.9892 2.5922 H 1 noname 0.0625 31 H17 2.6045 1.9490 0.4246 H 1 noname 0.0622 32 H18 -0.0171 3.3730 3.5150 H 1 noname 0.0622 33 H19 2.2134 3.3529 2.4313 H 1 noname 0.0622 @BOND 1 2 1 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 3 7 1 7 5 8 1 8 7 9 2 9 8 10 2 10 8 11 1 11 10 12 1 12 11 13 2 13 12 14 2 14 13 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 6 25 1 26 7 26 1 27 9 27 1 28 9 28 1 29 10 29 1 30 11 30 1 31 12 31 1 32 13 32 1 33 14 33 1 @SUBSTRUCTURE 1 noname 1