@MOLECULE DB00816 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -2.7178 0.3709 -1.2355 O.3 1 noname -0.2840 2 C1 -2.5851 1.6694 -0.8909 C.2 1 noname 0.0102 3 C2 -3.6943 2.5072 -0.8981 C.2 1 noname -0.0045 4 C3 -1.3394 2.1686 -0.5288 C.2 1 noname -0.0320 5 C4 -3.5577 3.8442 -0.5432 C.2 1 noname 0.0102 6 C5 -1.2028 3.5056 -0.1739 C.2 1 noname -0.0238 7 O2 -4.6349 4.6579 -0.5502 O.3 1 noname -0.2840 8 C6 -2.3119 4.3434 -0.1812 C.2 1 noname -0.0320 9 C7 0.1056 4.0299 0.2064 C.3 1 noname 0.0917 10 O3 0.7754 4.5140 -0.9484 O.3 1 noname -0.3870 11 C8 -0.0742 5.1723 1.2081 C.3 1 noname 0.0258 12 N1 1.2360 5.6974 1.5889 N.3 1 noname -0.3115 13 C9 1.0641 6.7890 2.5462 C.3 1 noname 0.0013 14 C10 2.4353 7.3385 2.9447 C.3 1 noname -0.0500 15 C11 0.2347 7.9035 1.9052 C.3 1 noname -0.0500 16 H1 -2.7727 -0.1667 -0.4421 H 1 noname 0.2181 17 H2 -4.6711 2.1158 -1.1820 H 1 noname 0.0677 18 H3 -0.4697 1.5117 -0.5231 H 1 noname 0.0653 19 H4 -4.8940 4.8536 0.3532 H 1 noname 0.2181 20 H5 -2.2048 5.3918 0.0971 H 1 noname 0.0653 21 H6 0.7114 3.2143 0.6011 H 1 noname 0.0665 22 H7 1.0812 3.7723 -1.4755 H 1 noname 0.2109 23 H8 -0.5848 5.9852 0.6917 H 1 noname 0.0458 24 H9 -0.5034 4.7489 2.1162 H 1 noname 0.0458 25 H10 2.1227 5.3584 1.2441 H 1 noname 0.1225 26 H11 0.5485 6.3755 3.4129 H 1 noname 0.0459 27 H12 2.5125 7.3694 4.0315 H 1 noname 0.0246 28 H13 3.2162 6.6926 2.5432 H 1 noname 0.0246 29 H14 2.5541 8.3449 2.5432 H 1 noname 0.0246 30 H15 -0.2192 8.5136 2.6861 H 1 noname 0.0246 31 H16 0.8803 8.5268 1.2864 H 1 noname 0.0246 32 H17 -0.5477 7.4642 1.2864 H 1 noname 0.0246 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 3 17 1 18 4 18 1 19 7 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1 @SUBSTRUCTURE 1 noname 1