@MOLECULE DB07555 40 40 1 SMALL USER_CHARGES @ATOM 1 As1 -2.1362 -4.6619 2.6697 As 1 noname 0.6449 2 C1 -2.4214 -2.7889 2.1296 C.3 1 noname -0.0295 3 C2 -3.8566 -5.4616 3.2002 C.3 1 noname -0.0636 4 C3 -0.8864 -4.7235 4.1913 C.3 1 noname -0.0636 5 C4 -1.3803 -5.6735 1.1577 C.3 1 noname -0.0636 6 C5 -3.3920 -2.7411 0.9479 C.3 1 noname 0.0678 7 O1 -2.8472 -3.4703 -0.1420 O.3 1 noname -0.3607 8 C6 -3.7480 -3.4258 -1.2388 C.3 1 noname 0.1841 9 C7 -3.1879 -4.1756 -2.3593 C.2 1 noname 0.0974 10 C8 -3.9696 -1.9712 -1.6582 C.3 1 noname 0.4188 11 C9 -2.8996 -5.5278 -2.2161 C.2 1 noname 0.1001 12 C10 -2.9427 -3.5371 -3.5695 C.2 1 noname 0.0188 13 F1 -4.8393 -1.9284 -2.7171 F 1 noname -0.1677 14 F2 -2.7722 -1.4147 -2.0274 F 1 noname -0.1677 15 F3 -4.4956 -1.2672 -0.6059 F 1 noname -0.1677 16 N1 -3.1298 -6.1272 -1.0799 N.2 1 noname 0.2002 17 C11 -2.3663 -6.2416 -3.2829 C.2 1 noname 0.0838 18 C12 -2.4094 -4.2509 -4.6363 C.2 1 noname 0.0182 19 O2 -2.4686 -7.0288 -0.7526 O.2 1 noname -0.0238 20 O3 -4.0708 -5.7292 -0.3341 O.3 1 noname -0.0496 21 C13 -2.1212 -5.6031 -4.4931 C.2 1 noname 0.0054 22 H1 -2.9660 -2.2421 2.8993 H 1 noname 0.0574 23 H2 -1.5128 -2.3665 1.7006 H 1 noname 0.0574 24 H3 -3.9229 -5.4924 4.2878 H 1 noname 0.0514 25 H4 -4.6745 -4.8603 2.8032 H 1 noname 0.0514 26 H5 -3.9243 -6.4744 2.8032 H 1 noname 0.0514 27 H6 -0.6763 -5.7620 4.4470 H 1 noname 0.0514 28 H7 0.0420 -4.2213 3.9194 H 1 noname 0.0514 29 H8 -1.3334 -4.2213 5.0492 H 1 noname 0.0514 30 H9 -1.4769 -6.7419 1.3508 H 1 noname 0.0514 31 H10 -1.9190 -5.4191 0.2448 H 1 noname 0.0514 32 H11 -0.3269 -5.4191 1.0407 H 1 noname 0.0514 33 H12 -4.2974 -3.2770 1.2327 H 1 noname 0.0596 34 H13 -3.4552 -1.7085 0.6044 H 1 noname 0.0596 35 H14 -4.6654 -3.9146 -0.9107 H 1 noname 0.0754 36 H15 -3.1688 -2.4767 -3.6818 H 1 noname 0.0628 37 H16 -2.1403 -7.3019 -3.1706 H 1 noname 0.0690 38 H17 -2.2172 -3.7502 -5.5853 H 1 noname 0.0622 39 H18 -3.8173 -5.8364 0.5856 H 1 noname 0.2898 40 H19 -1.7030 -6.1628 -5.3297 H 1 noname 0.0625 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 2 6 1 6 6 7 1 7 8 7 1 8 8 9 1 9 8 10 1 10 9 11 2 11 9 12 1 12 10 13 1 13 10 14 1 14 10 15 1 15 11 16 1 16 11 17 1 17 12 18 2 18 16 19 2 19 16 20 1 20 17 21 2 21 18 21 1 22 2 22 1 23 2 23 1 24 3 24 1 25 3 25 1 26 3 26 1 27 4 27 1 28 4 28 1 29 4 29 1 30 5 30 1 31 5 31 1 32 5 32 1 33 6 33 1 34 6 34 1 35 8 35 1 36 12 36 1 37 17 37 1 38 18 38 1 39 20 39 1 40 21 40 1 @SUBSTRUCTURE 1 noname 1