@MOLECULE FDBD01385 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 F -1.3508 0.9461 -2.5613 F 1 UNK -0.1671 2 F1 -0.1286 -0.1944 -3.9626 F 1 UNK -0.1671 3 F2 0.6216 0.2385 -1.9563 F 1 UNK -0.1671 4 O 6.4885 -3.6093 -0.1542 O.3 1 UNK -0.3950 5 O1 0.5987 -1.7081 1.3588 O.2 1 UNK -0.2704 6 O2 -3.0895 -0.1873 1.2476 O.3 1 UNK -0.4830 7 O3 -1.4746 -1.1825 -0.7900 O.3 1 UNK -0.4794 8 N 3.5095 0.1798 0.2675 N.pl3 1 UNK -0.3287 9 N1 -2.5501 2.2989 0.0151 N.4 1 UNK 0.2316 10 N2 1.6052 -0.8840 3.2473 N.am 1 UNK -0.3253 11 C 2.3682 0.9161 0.5523 C.ar 1 UNK 0.0452 12 C1 4.2298 0.8974 -0.7821 C.3 1 UNK 0.0162 13 C2 2.4228 2.1908 -0.0259 C.ar 1 UNK -0.0239 14 C3 3.7189 2.3522 -0.7526 C.3 1 UNK -0.0101 15 C4 3.6165 -1.2461 0.4444 C.3 1 UNK 0.0143 16 C5 0.2939 2.7445 0.8897 C.ar 1 UNK -0.0410 17 C6 1.2645 0.5505 1.3078 C.ar 1 UNK 0.0580 18 C7 1.4053 3.1161 0.1345 C.ar 1 UNK -0.0533 19 C8 -0.8272 3.7097 1.0839 C.3 1 UNK 0.0153 20 C9 0.2238 1.4705 1.4722 C.ar 1 UNK -0.0445 21 C10 -1.9300 3.6271 0.0025 C.3 1 UNK -0.0214 22 C11 5.0033 -1.7412 0.0510 C.3 1 UNK -0.0139 23 C12 1.1206 -0.7472 1.9502 C.2 1 UNK 0.2433 24 C13 -1.3859 3.8907 -1.4017 C.3 1 UNK -0.0213 25 C14 5.1656 -3.2474 0.2190 C.3 1 UNK 0.0456 26 C15 -3.4659 2.1722 1.1365 C.3 1 UNK 0.0016 27 C16 -4.1115 0.7957 1.1494 C.3 1 UNK 0.1293 28 C17 -3.3499 -1.4081 0.6818 C.ar 1 UNK 0.1622 29 C18 -2.5391 -1.9034 -0.3396 C.ar 1 UNK 0.1623 30 C19 -4.4368 -2.1562 1.1342 C.ar 1 UNK -0.0163 31 C20 -2.8152 -3.1468 -0.9082 C.ar 1 UNK -0.0163 32 C21 -4.7128 -3.3996 0.5655 C.ar 1 UNK -0.0581 33 C22 -3.9022 -3.8949 -0.4557 C.ar 1 UNK -0.0581 34 C23 -1.1052 -1.3570 -2.1565 C.3 1 UNK 0.1843 35 C24 -0.4816 -0.0830 -2.6645 C.3 1 UNK 0.4236 36 H 6.6030 -4.5670 -0.0510 H 1 UNK 0.2094 37 H1 -1.8215 1.5896 0.0956 H 1 UNK 0.2017 38 H2 -3.0723 2.1717 -0.8518 H 1 UNK 0.2017 39 H3 1.5255 -1.7471 3.7141 H 1 UNK 0.1453 40 H4 2.0277 -0.1176 3.6983 H 1 UNK 0.1453 41 H5 4.0296 0.4552 -1.7357 H 1 UNK 0.0467 42 H6 5.2869 0.8566 -0.6214 H 1 UNK 0.0467 43 H7 3.5694 2.7353 -1.7404 H 1 UNK 0.0329 44 H8 4.3944 3.0454 -0.2965 H 1 UNK 0.0329 45 H9 2.8849 -1.7308 -0.1678 H 1 UNK 0.0464 46 H10 3.4520 -1.4755 1.4765 H 1 UNK 0.0464 47 H11 1.4678 4.0535 -0.2925 H 1 UNK 0.0624 48 H12 -0.4224 4.7002 1.0753 H 1 UNK 0.0368 49 H13 -1.2906 3.4591 2.0152 H 1 UNK 0.0368 50 H14 -0.6051 1.2089 2.0285 H 1 UNK 0.0628 51 H15 -2.6488 4.3842 0.2370 H 1 UNK 0.0851 52 H16 5.7283 -1.2492 0.6651 H 1 UNK 0.0302 53 H17 5.1418 -1.5172 -0.9861 H 1 UNK 0.0302 54 H18 -0.6647 3.1408 -1.6513 H 1 UNK 0.0284 55 H19 -0.9223 4.8547 -1.4294 H 1 UNK 0.0284 56 H20 -2.1899 3.8611 -2.1071 H 1 UNK 0.0284 57 H21 4.9937 -3.5160 1.2404 H 1 UNK 0.0557 58 H22 4.4596 -3.7607 -0.3999 H 1 UNK 0.0557 59 H23 -4.2291 2.9175 1.0528 H 1 UNK 0.0848 60 H24 -2.9172 2.3037 2.0456 H 1 UNK 0.0848 61 H25 -4.7702 0.7150 1.9887 H 1 UNK 0.0751 62 H26 -4.6731 0.6485 0.2506 H 1 UNK 0.0751 63 H27 -5.0368 -1.7897 1.8897 H 1 UNK 0.0655 64 H28 -2.2153 -3.5133 -1.6637 H 1 UNK 0.0655 65 H29 -5.5169 -3.9531 0.9004 H 1 UNK 0.0619 66 H30 -4.1066 -4.8148 -0.8765 H 1 UNK 0.0619 67 H31 -1.9747 -1.5865 -2.7363 H 1 UNK 0.0788 68 H32 -0.4037 -2.1606 -2.2408 H 1 UNK 0.0788 @BOND 1 1 35 1 2 2 35 1 3 3 35 1 4 4 25 1 5 5 23 2 6 6 27 1 7 6 28 1 8 7 29 1 9 7 34 1 10 8 11 1 11 8 12 1 12 8 15 1 13 9 21 1 14 9 26 1 15 10 23 am 16 11 13 ar 17 11 17 ar 18 12 14 1 19 13 14 1 20 13 18 ar 21 15 22 1 22 16 18 ar 23 16 19 1 24 16 20 ar 25 17 20 ar 26 17 23 1 27 19 21 1 28 21 24 1 29 22 25 1 30 26 27 1 31 28 29 ar 32 28 30 ar 33 29 31 ar 34 30 32 ar 35 31 33 ar 36 32 33 ar 37 34 35 1 38 4 36 1 39 9 37 1 40 9 38 1 41 10 39 1 42 10 40 1 43 12 41 1 44 12 42 1 45 14 43 1 46 14 44 1 47 15 45 1 48 15 46 1 49 18 47 1 50 19 48 1 51 19 49 1 52 20 50 1 53 21 51 1 54 22 52 1 55 22 53 1 56 24 54 1 57 24 55 1 58 24 56 1 59 25 57 1 60 25 58 1 61 26 59 1 62 26 60 1 63 27 61 1 64 27 62 1 65 30 63 1 66 31 64 1 67 32 65 1 68 33 66 1 69 34 67 1 70 34 68 1