@MOLECULE DB02368 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 6.0313 -0.9304 0.4553 O.2 1 noname -0.2950 2 C1 4.8217 -1.2432 0.4179 C.2 1 noname -0.0444 3 N1 3.8903 -0.2971 0.2356 N.3 1 noname -0.0743 4 N2 4.4563 -2.5245 0.5601 N.3 1 noname -0.0833 5 C2 2.5259 -0.6499 0.1935 C.3 1 noname 0.0040 6 C3 1.6806 0.6068 -0.0234 C.3 1 noname -0.0381 7 C4 0.2000 0.2240 -0.0692 C.3 1 noname -0.0265 8 C5 -0.6453 1.4807 -0.2861 C.3 1 noname 0.0999 9 N3 -2.0098 1.1279 -0.3283 N.3 1 noname -0.0724 10 C6 -0.2662 2.1104 -1.5476 C.2 1 noname 0.1440 11 C7 -2.8636 1.6457 0.5653 C.2 1 noname 0.0392 12 O2 0.1741 3.2802 -1.5547 O.2 1 noname -0.2494 13 O3 -0.3913 1.4292 -2.7064 O.3 1 noname -0.2138 14 O4 -4.0733 1.3329 0.5279 O.2 1 noname -0.2972 15 C8 -2.3811 2.5753 1.5825 C.3 1 noname 0.0095 16 H1 4.2082 0.6560 0.1328 H 1 noname 0.1323 17 H2 3.4774 -2.7675 0.6137 H 1 noname 0.1285 18 H3 5.1597 -3.2473 0.6137 H 1 noname 0.1285 19 H4 2.4195 -1.2867 -0.6848 H 1 noname 0.0433 20 H5 2.2993 -1.0450 1.1838 H 1 noname 0.0433 21 H6 1.8165 1.2334 0.8580 H 1 noname 0.0280 22 H7 1.9367 0.9918 -1.0105 H 1 noname 0.0280 23 H8 0.0641 -0.4027 -0.9507 H 1 noname 0.0288 24 H9 -0.0561 -0.1610 0.9179 H 1 noname 0.0288 25 H10 -0.5413 2.2073 0.5197 H 1 noname 0.0578 26 H11 -2.3845 0.4890 -1.0149 H 1 noname 0.1318 27 H12 -0.3720 0.4863 -2.5270 H 1 noname 0.2213 28 H13 -2.5909 2.1711 2.5728 H 1 noname 0.0324 29 H14 -1.3061 2.7142 1.4670 H 1 noname 0.0324 30 H15 -2.8859 3.5344 1.4670 H 1 noname 0.0324 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 9 11 1 11 10 12 2 12 10 13 1 13 11 14 2 14 11 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 9 26 1 26 13 27 1 27 15 28 1 28 15 29 1 29 15 30 1 @SUBSTRUCTURE 1 noname 1