@MOLECULE DB06913 32 32 1 SMALL USER_CHARGES @ATOM 1 S1 -2.7759 -1.7340 -0.9356 S.3 1 noname -0.1581 2 C1 -1.6312 -0.6548 -0.0609 C.3 1 noname 0.0781 3 N1 -0.3858 -1.3019 0.0748 N.3 1 noname -0.1338 4 C2 -1.4485 0.6425 -0.8511 C.3 1 noname 0.1343 5 C3 0.4663 -0.4985 0.7259 C.2 1 noname -0.0161 6 C4 -2.6515 1.2675 -0.9822 C.1 1 noname 0.0707 7 C5 -0.9241 0.3414 -2.1470 C.2 1 noname 0.0213 8 C6 1.2667 0.3881 0.0149 C.2 1 noname -0.0315 9 C7 0.5499 -0.5516 2.1124 C.2 1 noname -0.0315 10 N2 -3.6655 1.7943 -1.0927 N.1 1 noname -0.1911 11 O1 -0.6855 1.3157 -3.0051 O.3 1 noname -0.2617 12 N3 -0.6870 -0.8680 -2.4735 N.2 1 noname -0.2368 13 C8 2.1506 1.2215 0.6903 C.2 1 noname -0.0041 14 C9 1.4339 0.2818 2.7878 C.2 1 noname -0.0041 15 C10 2.2342 1.1683 2.0768 C.2 1 noname -0.0237 16 C11 2.9913 2.1527 -0.0565 C.3 1 noname 0.4161 17 C12 1.5217 0.2259 4.2441 C.3 1 noname 0.4161 18 F1 2.1976 3.0169 -0.7657 F 1 noname -0.1661 19 F2 3.7917 1.4526 -0.9218 F 1 noname -0.1661 20 F3 3.7739 2.8631 0.8168 F 1 noname -0.1661 21 F4 0.6288 1.1115 4.7901 F 1 noname -0.1661 22 F5 2.7925 0.5566 4.6384 F 1 noname -0.1661 23 F6 1.2262 -1.0428 4.6714 F 1 noname -0.1661 24 H1 -3.4957 -2.4127 -0.0617 H 1 noname 0.1039 25 H2 -1.8227 -0.3651 0.9723 H 1 noname 0.0602 26 H3 -0.1358 -2.2239 -0.2529 H 1 noname 0.1293 27 H4 -0.7999 1.3756 -0.3716 H 1 noname 0.0575 28 H5 1.2011 0.4298 -1.0723 H 1 noname 0.0645 29 H6 -0.0777 -1.2468 2.6700 H 1 noname 0.0645 30 H7 -0.4877 2.1233 -2.5253 H 1 noname 0.2195 31 H8 -0.5774 -1.4267 -1.6393 H 1 noname 0.1895 32 H9 2.9274 1.8218 2.6065 H 1 noname 0.0634 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 5 8 2 8 5 9 1 9 6 10 3 10 7 11 1 11 7 12 2 12 8 13 1 13 9 14 2 14 13 15 2 15 13 16 1 16 14 17 1 17 14 15 1 18 16 18 1 19 16 19 1 20 16 20 1 21 17 21 1 22 17 22 1 23 17 23 1 24 1 24 1 25 2 25 1 26 3 26 1 27 4 27 1 28 8 28 1 29 9 29 1 30 11 30 1 31 12 31 1 32 15 32 1 @SUBSTRUCTURE 1 noname 1