@MOLECULE DB02475 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.1352 -1.2825 0.5740 O.2 1 noname -0.2940 2 C1 0.1634 -0.1425 0.1572 C.2 1 noname 0.0463 3 N1 1.4134 0.6142 0.0420 N.3 1 noname -0.0603 4 C2 -0.6212 1.0116 -0.4318 C.3 1 noname 0.0347 5 C3 2.7617 0.3480 0.3572 C.3 1 noname 0.1028 6 C4 0.7005 1.7577 -0.5317 C.3 1 noname 0.0149 7 C5 3.0307 -1.1520 0.2212 C.2 1 noname 0.1441 8 C6 3.0331 0.7687 1.7287 C.3 1 noname -0.0263 9 O2 3.8905 -1.5619 -0.5882 O.2 1 noname -0.2493 10 O3 2.3394 -2.0328 0.9753 O.3 1 noname -0.2138 11 C7 4.4961 0.4799 2.0707 C.3 1 noname -0.0382 12 C8 4.7805 0.9207 3.5080 C.3 1 noname 0.0024 13 N2 6.1288 0.6545 3.8232 N.3 1 noname -0.1252 14 C9 6.3723 1.0320 5.0538 C.2 1 noname -0.1456 15 N3 7.5381 0.8820 5.5477 N.2 1 noname -0.2746 16 N4 5.4180 1.5634 5.7768 N.3 1 noname -0.1344 17 H1 -1.0099 0.7611 -1.4189 H 1 noname 0.0374 18 H2 -1.2759 1.4641 0.3129 H 1 noname 0.0374 19 H3 3.3608 0.9510 -0.3252 H 1 noname 0.0580 20 H4 0.7257 2.6005 0.1592 H 1 noname 0.0441 21 H5 0.9918 1.8975 -1.5727 H 1 noname 0.0441 22 H6 2.8991 1.8504 1.7425 H 1 noname 0.0288 23 H7 2.4150 0.1348 2.3645 H 1 noname 0.0288 24 H8 2.4877 -1.8439 1.9048 H 1 noname 0.2213 25 H9 4.6177 -0.6030 2.0439 H 1 noname 0.0280 26 H10 5.1018 1.1125 1.4219 H 1 noname 0.0280 27 H11 4.6815 2.0051 3.5566 H 1 noname 0.0432 28 H12 4.1974 0.2896 4.1786 H 1 noname 0.0432 29 H13 6.8384 0.2411 3.2352 H 1 noname 0.1306 30 H14 7.4801 0.8895 6.5560 H 1 noname 0.1898 31 H15 5.4756 2.5325 6.0556 H 1 noname 0.1267 32 H16 4.6245 1.0042 6.0556 H 1 noname 0.1267 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 5 3 1 5 3 6 1 6 4 6 1 7 5 7 1 8 5 8 1 9 7 9 2 10 7 10 1 11 8 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 2 16 14 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 6 20 1 21 6 21 1 22 8 22 1 23 8 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 15 30 1 31 16 31 1 32 16 32 1 @SUBSTRUCTURE 1 noname 1