@MOLECULE DB01835 30 29 1 SMALL USER_CHARGES @ATOM 1 F1 2.1093 -0.8521 -0.3210 F 1 noname -0.2471 2 C1 1.4151 0.3187 -0.1567 C.3 1 noname 0.1034 3 C2 1.6016 1.2001 -1.3933 C.3 1 noname 0.0032 4 C3 -0.0716 0.0084 0.0290 C.3 1 noname -0.0086 5 C4 3.0882 1.5104 -1.5790 C.3 1 noname 0.0940 6 C5 -0.8462 1.3150 0.2124 C.3 1 noname 0.0038 7 N1 3.2664 2.3526 -2.7607 N.3 1 noname -0.3193 8 C6 3.8275 0.2636 -1.7540 C.2 1 noname 0.1437 9 N2 -2.2163 1.0290 0.3835 N.3 1 noname -0.1355 10 O1 4.7321 -0.0450 -0.9484 O.2 1 noname -0.2496 11 O2 3.5340 -0.5559 -2.7859 O.3 1 noname -0.2140 12 C7 -2.8796 2.1477 0.5405 C.2 1 noname -0.0829 13 N3 -4.1427 2.1212 0.7122 N.2 1 noname -0.2828 14 C8 -2.1870 3.3986 0.5193 C.3 1 noname -0.0124 15 H1 1.8600 0.7591 0.7356 H 1 noname 0.0661 16 H2 1.2946 0.6047 -2.2532 H 1 noname 0.0317 17 H3 1.1063 2.1478 -1.1819 H 1 noname 0.0317 18 H4 -0.4193 -0.4353 -0.9040 H 1 noname 0.0309 19 H5 -0.1631 -0.5455 0.9633 H 1 noname 0.0309 20 H6 3.5059 2.0350 -0.7197 H 1 noname 0.0572 21 H7 -0.5273 1.7704 1.1499 H 1 noname 0.0433 22 H8 -0.7835 1.8806 -0.7173 H 1 noname 0.0433 23 H9 2.4631 2.6435 -3.2993 H 1 noname 0.1191 24 H10 4.1929 2.6435 -3.0384 H 1 noname 0.1191 25 H11 -2.6702 0.1268 0.3925 H 1 noname 0.1292 26 H12 3.6148 -1.4694 -2.5019 H 1 noname 0.2213 27 H13 -4.3480 2.1169 1.7011 H 1 noname 0.1884 28 H14 -2.0036 3.7298 1.5415 H 1 noname 0.0306 29 H15 -1.2361 3.2787 0.0002 H 1 noname 0.0306 30 H16 -2.7933 4.1409 0.0002 H 1 noname 0.0306 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 5 8 1 8 6 9 1 9 8 10 2 10 8 11 1 11 9 12 1 12 12 13 2 13 12 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 9 25 1 25 11 26 1 26 13 27 1 27 14 28 1 28 14 29 1 29 14 30 1 @SUBSTRUCTURE 1 noname 1