@MOLECULE DB05016 30 32 1 SMALL USER_CHARGES @ATOM 1 F1 1.7502 -0.5325 -1.4385 F 1 noname -0.1577 2 C1 1.3458 0.2020 -0.4438 C.2 1 noname 0.0650 3 C2 0.0371 -0.0066 0.1249 C.2 1 noname 0.0347 4 C3 2.1995 1.2221 0.0913 C.2 1 noname 0.0044 5 C4 -0.7352 -1.1691 -0.1316 C.2 1 noname 0.1639 6 C5 -0.4585 0.8738 1.1445 C.2 1 noname 0.0018 7 C6 1.7099 2.0173 1.1769 C.2 1 noname -0.0224 8 O1 -2.0390 -1.3631 0.2033 O.3 1 noname -0.2989 9 N1 -0.2694 -2.3523 -0.5730 N.2 1 noname -0.1328 10 C7 0.3836 1.8850 1.6951 C.2 1 noname -0.0505 11 N2 -2.3510 -2.5985 -0.0197 N.2 1 noname -0.1310 12 C8 -1.2713 -3.2306 -0.4957 C.2 1 noname 0.1380 13 C9 -1.2049 -4.5733 -0.8492 C.2 1 noname 0.0029 14 C10 -2.3275 -5.3826 -0.7190 C.2 1 noname 0.0388 15 C11 -0.0159 -5.1066 -1.3329 C.2 1 noname 0.0103 16 C12 -2.2611 -6.7252 -1.0726 C.2 1 noname 0.0116 17 C13 0.0505 -6.4493 -1.6864 C.2 1 noname -0.0278 18 C14 -3.3837 -7.5345 -0.9424 C.2 1 noname 0.0850 19 C15 -1.0721 -7.2586 -1.5562 C.2 1 noname 0.0168 20 O2 -3.3240 -8.7419 -1.2603 O.2 1 noname -0.2598 21 O3 -4.5385 -7.0165 -0.4727 O.3 1 noname -0.2191 22 H1 3.1962 1.3888 -0.3172 H 1 noname 0.0653 23 H2 -1.4828 0.7735 1.5036 H 1 noname 0.0631 24 H3 2.3747 2.7542 1.6277 H 1 noname 0.0623 25 H4 0.0237 2.5386 2.4897 H 1 noname 0.0622 26 H5 -3.2599 -4.9643 -0.3398 H 1 noname 0.0638 27 H6 0.8644 -4.4720 -1.4349 H 1 noname 0.0630 28 H7 0.9828 -6.8675 -2.0657 H 1 noname 0.0623 29 H8 -1.0200 -8.3114 -1.8335 H 1 noname 0.0631 30 H9 -4.5248 -7.0226 0.4872 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 5 9 2 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 1 13 11 12 2 14 12 13 1 15 13 14 2 16 13 15 1 17 14 16 1 18 15 17 2 19 16 18 1 20 16 19 2 21 17 19 1 22 18 20 2 23 18 21 1 24 4 22 1 25 6 23 1 26 7 24 1 27 10 25 1 28 14 26 1 29 15 27 1 30 17 28 1 31 19 29 1 32 21 30 1 @SUBSTRUCTURE 1 noname 1