@MOLECULE DB07338 31 32 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.1533 -0.8296 1.5060 Cl 1 noname -0.0681 2 C1 0.4659 -0.1941 -0.0252 C.2 1 noname 0.0307 3 C2 1.5469 -0.6607 -0.7639 C.2 1 noname 0.0360 4 C3 -0.3577 0.7961 -0.5481 C.2 1 noname 0.0147 5 O1 2.3468 -1.6224 -0.2561 O.3 1 noname -0.1937 6 C4 1.8044 -0.1371 -2.0255 C.2 1 noname -0.0052 7 C5 -0.1002 1.3197 -1.8096 C.2 1 noname -0.0087 8 C6 3.3554 -1.0502 0.4352 C.2 1 noname 0.0518 9 C7 0.9809 0.8531 -2.5484 C.2 1 noname -0.0153 10 C8 -0.9652 2.3597 -2.3589 C.3 1 noname 0.4161 11 C9 4.3131 -1.8456 1.0534 C.2 1 noname 0.0523 12 C10 3.4361 0.3343 0.5287 C.2 1 noname 0.0234 13 F1 -0.4824 3.5919 -2.0007 F 1 noname -0.1661 14 F2 -2.2351 2.2055 -1.8657 F 1 noname -0.1661 15 F3 -0.9903 2.2585 -3.7259 F 1 noname -0.1661 16 C11 5.3516 -1.2565 1.7651 C.2 1 noname 0.0884 17 C12 4.4746 0.9234 1.2404 C.2 1 noname 0.0532 18 C13 5.4324 0.1280 1.8586 C.2 1 noname 0.0711 19 C14 6.3094 -2.0518 2.3834 C.2 1 noname 0.1066 20 N1 6.4074 0.6811 2.5268 N.2 1 noname -0.0062 21 O2 6.6051 -3.1652 1.8981 O.2 1 noname -0.2558 22 O3 6.9201 -1.6219 3.5079 O.3 1 noname -0.2165 23 O4 6.8047 1.7311 2.2155 O.2 1 noname -0.1433 24 O5 6.9210 0.0772 3.5126 O.3 1 noname -0.1433 25 H1 -1.2054 1.1620 0.0312 H 1 noname 0.0645 26 H2 2.6522 -0.5030 -2.6048 H 1 noname 0.0650 27 H3 1.1828 1.2637 -3.5377 H 1 noname 0.0629 28 H4 4.2498 -2.9313 0.9801 H 1 noname 0.0659 29 H5 2.6851 0.9580 0.0439 H 1 noname 0.0651 30 H6 4.5379 2.0091 1.3137 H 1 noname 0.0648 31 H7 7.2025 -2.3780 4.0277 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 1 14 10 14 1 15 10 15 1 16 11 16 1 17 12 17 2 18 16 18 2 19 16 19 1 20 17 18 1 21 18 20 1 22 19 21 2 23 19 22 1 24 20 23 2 25 20 24 1 26 4 25 1 27 6 26 1 28 9 27 1 29 11 28 1 30 12 29 1 31 17 30 1 32 22 31 1 @SUBSTRUCTURE 1 noname 1