@MOLECULE DB03714 46 47 1 SMALL USER_CHARGES @ATOM 1 P1 2.7899 4.5537 -1.2673 P 1 noname 0.0498 2 O1 3.6179 5.5090 -1.9568 O.2 1 noname -0.2094 3 O2 1.4714 5.2279 -0.8446 O.3 1 noname -0.1783 4 O3 3.5288 4.0421 -0.0168 O.3 1 noname -0.1783 5 C1 2.4621 3.2850 -2.2700 C.3 1 noname 0.3751 6 F1 3.6359 2.6848 -2.6463 F 1 noname -0.1845 7 F2 1.8043 3.7405 -3.3833 F 1 noname -0.1845 8 C2 1.6225 2.3165 -1.5709 C.2 1 noname -0.0135 9 C3 2.2077 1.2878 -0.8419 C.2 1 noname -0.0157 10 C4 0.2381 2.4231 -1.6344 C.2 1 noname -0.0280 11 C5 1.4084 0.3657 -0.1763 C.2 1 noname -0.0204 12 C6 -0.5612 1.5010 -0.9688 C.2 1 noname -0.0379 13 C7 0.0240 0.4723 -0.2397 C.2 1 noname -0.0253 14 C8 1.9936 -0.6630 0.5528 C.2 1 noname -0.0314 15 C9 -0.7753 -0.4498 0.4258 C.2 1 noname -0.0040 16 C10 1.1943 -1.5850 1.2183 C.2 1 noname -0.0129 17 C11 -0.1902 -1.4784 1.1549 C.2 1 noname -0.0062 18 C12 -0.9895 -2.4005 1.8205 C.2 1 noname 0.0143 19 O4 -0.4632 -3.3256 2.4761 O.2 1 noname -0.2956 20 N1 -2.3241 -2.2978 1.7593 N.3 1 noname -0.0697 21 C13 -3.1349 -3.2331 2.4344 C.3 1 noname 0.0883 22 C14 -2.8474 -4.6374 1.8994 C.2 1 noname 0.0413 23 C15 -4.5409 -2.9069 2.2144 C.3 1 noname -0.0195 24 O5 -2.4283 -5.5267 2.6714 O.2 1 noname -0.2923 25 N2 -3.0448 -4.9139 0.6032 N.3 1 noname -0.0852 26 C16 -4.8284 -1.5026 2.7494 C.3 1 noname 0.0354 27 C17 -6.2343 -1.1764 2.5294 C.2 1 noname 0.1348 28 O6 -6.6834 -0.0684 2.8944 O.2 1 noname -0.2559 29 O7 -7.0494 -2.0713 1.9316 O.3 1 noname -0.2189 30 H1 1.4187 5.2549 0.1136 H 1 noname 0.2261 31 H2 3.5294 3.0821 -0.0158 H 1 noname 0.2261 32 H3 3.2934 1.2042 -0.7921 H 1 noname 0.0634 33 H4 -0.2208 3.2297 -2.2061 H 1 noname 0.0628 34 H5 -1.6469 1.5846 -1.0185 H 1 noname 0.0629 35 H6 3.0792 -0.7465 0.6025 H 1 noname 0.0629 36 H7 -1.8610 -0.3662 0.3761 H 1 noname 0.0637 37 H8 1.6532 -2.3917 1.7900 H 1 noname 0.0630 38 H9 -2.7085 -1.5360 1.2189 H 1 noname 0.1321 39 H10 -2.9068 -3.1273 3.4950 H 1 noname 0.0566 40 H11 -4.6770 -2.8815 1.1332 H 1 noname 0.0293 41 H12 -5.1105 -3.6126 2.8190 H 1 noname 0.0293 42 H13 -3.9839 -5.0181 0.2464 H 1 noname 0.1271 43 H14 -2.2545 -5.0181 -0.0171 H 1 noname 0.1271 44 H15 -4.6922 -1.5280 3.8306 H 1 noname 0.0373 45 H16 -4.2587 -0.7969 2.1448 H 1 noname 0.0373 46 H17 -7.5124 -2.5797 2.6015 H 1 noname 0.2213 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 1 13 11 14 2 14 12 13 1 15 13 15 2 16 14 16 1 17 15 17 1 18 16 17 2 19 17 18 1 20 18 19 2 21 18 20 1 22 21 20 1 23 21 22 1 24 21 23 1 25 22 24 2 26 22 25 1 27 23 26 1 28 26 27 1 29 27 28 2 30 27 29 1 31 3 30 1 32 4 31 1 33 9 32 1 34 10 33 1 35 12 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 20 38 1 40 21 39 1 41 23 40 1 42 23 41 1 43 25 42 1 44 25 43 1 45 26 44 1 46 26 45 1 47 29 46 1 @SUBSTRUCTURE 1 noname 1