@MOLECULE 58434491 47 49 1 SMALL USER_CHARGES @ATOM 1 F1 3.4402 1.0956 -4.0203 F 1 noname -0.1502 2 O1 2.2374 0.5174 0.9722 O.3 1 noname -0.3535 3 O2 -0.8017 -1.3633 0.7301 O.3 1 noname -0.1619 4 O3 -0.5888 0.0290 2.6121 O.3 1 noname -0.1629 5 O4 -2.7426 -0.7825 1.9773 O.2 1 noname -0.2085 6 O5 0.6508 -2.4533 -1.0576 O.2 1 noname -0.2478 7 O6 3.8229 -3.2143 -6.2784 O.3 1 noname -0.1973 8 O7 3.1939 -3.6185 -4.1539 O.2 1 noname -0.2475 9 N1 1.5702 -0.3628 -1.2136 N.3 1 noname 0.0713 10 N2 1.8105 -1.9807 -2.9510 N.2 1 noname -0.1313 11 N3 3.0156 -1.5128 -4.9071 N.3 1 noname 0.0852 12 C1 0.5698 -1.0922 1.0178 C.3 1 noname 0.1395 13 C2 0.6738 -0.6287 2.4520 C.3 1 noname 0.1264 14 C3 1.1625 0.0408 0.1337 C.3 1 noname 0.1524 15 C4 1.8966 0.3336 2.3647 C.3 1 noname 0.0867 16 C5 3.1725 -0.1614 3.0895 C.3 1 noname -0.0359 17 C6 -1.5085 -0.7143 1.7909 C.2 1 noname 0.1436 18 C7 2.2606 0.5411 -2.0120 C.2 1 noname 0.0098 19 C8 1.3204 -1.6326 -1.7214 C.2 1 noname 0.1093 20 C9 2.7869 0.2329 -3.2982 C.2 1 noname 0.0522 21 C10 2.5357 -1.1021 -3.7254 C.2 1 noname 0.0598 22 C11 6.0912 -5.7486 -7.8545 C.3 1 noname -0.0513 23 C12 5.1176 -4.5701 -7.7921 C.3 1 noname -0.0289 24 C13 6.4823 -6.0105 -9.3103 C.3 1 noname -0.0561 25 C14 4.7265 -4.3082 -6.3363 C.3 1 noname 0.0578 26 C15 3.3394 -2.8005 -5.0878 C.2 1 noname 0.0799 27 C16 7.4559 -7.1891 -9.3728 C.3 1 noname -0.0654 28 H1 1.1708 -2.0081 0.9729 H 1 noname 0.0682 29 H2 0.7922 -1.5150 3.1135 H 1 noname 0.0667 30 H3 0.4368 0.8660 0.0694 H 1 noname 0.0816 31 H4 1.6288 1.3131 2.7696 H 1 noname 0.0629 32 H5 2.9545 -0.3120 4.1468 H 1 noname 0.0258 33 H6 3.4990 -1.1030 2.6481 H 1 noname 0.0258 34 H7 3.9622 0.5825 2.9839 H 1 noname 0.0258 35 H8 2.3992 1.4858 -1.6535 H 1 noname 0.0790 36 H9 3.1285 -0.8781 -5.6318 H 1 noname 0.1412 37 H10 5.6134 -6.6369 -7.4412 H 1 noname 0.0267 38 H11 6.9840 -5.5134 -7.2752 H 1 noname 0.0267 39 H12 4.2248 -4.8053 -8.3715 H 1 noname 0.0290 40 H13 5.5953 -3.6818 -8.2054 H 1 noname 0.0290 41 H14 5.5895 -6.2457 -9.8897 H 1 noname 0.0264 42 H15 6.9600 -5.1223 -9.7237 H 1 noname 0.0264 43 H16 4.2487 -5.1964 -5.9230 H 1 noname 0.0573 44 H17 5.6193 -4.0729 -5.7569 H 1 noname 0.0573 45 H18 7.7345 -7.3757 -10.4099 H 1 noname 0.0230 46 H19 6.9781 -8.0774 -8.9595 H 1 noname 0.0230 47 H20 8.3487 -6.9539 -8.7934 H 1 noname 0.0230 @BOND 1 1 20 1 2 2 14 1 3 2 15 1 4 3 12 1 5 3 17 1 6 4 13 1 7 4 17 1 8 5 17 2 9 6 19 2 10 7 25 1 11 7 26 1 12 8 26 2 13 14 9 1 14 9 18 1 15 9 19 1 16 10 19 1 17 10 21 2 18 11 21 1 19 11 26 1 20 11 36 1 21 12 13 1 22 12 14 1 23 12 28 1 24 13 15 1 25 13 29 1 26 14 30 1 27 15 16 1 28 15 31 1 29 16 32 1 30 16 33 1 31 16 34 1 32 18 20 2 33 18 35 1 34 20 21 1 35 22 23 1 36 22 24 1 37 22 37 1 38 22 38 1 39 23 25 1 40 23 39 1 41 23 40 1 42 24 27 1 43 24 41 1 44 24 42 1 45 25 43 1 46 25 44 1 47 27 45 1 48 27 46 1 49 27 47 1 @SUBSTRUCTURE 1 noname 1