@MOLECULE FDBD00705 54 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1107 -0.4744 1.1470 O.3 1 UNK -0.4813 2 O1 1.0659 -2.3162 0.5726 O.3 1 UNK -0.3820 3 O2 -3.1636 -1.6614 -1.2907 O.3 1 UNK -0.3881 4 O3 -4.7303 1.8279 0.3521 O.3 1 UNK -0.5033 5 N 2.0089 0.2715 0.8437 N.4 1 UNK 0.2399 6 C -0.7345 -0.6759 0.7413 C.3 1 UNK 0.0775 7 C1 0.3700 -1.2764 -0.1402 C.3 1 UNK 0.1219 8 C2 1.3736 -0.1139 -0.4450 C.3 1 UNK 0.0136 9 C3 -2.0482 -1.4671 0.9125 C.3 1 UNK 0.1387 10 C4 -0.1224 -0.2116 2.0872 C.3 1 UNK 0.0036 11 C5 -1.3406 0.5165 0.0877 C.ar 1 UNK 0.0142 12 C6 -0.1961 -1.9794 -1.3821 C.3 1 UNK -0.0153 13 C7 -2.4470 -2.3773 -0.2820 C.3 1 UNK 0.0930 14 C8 0.6980 1.0734 -1.2168 C.3 1 UNK 0.0187 15 C9 1.0773 0.7353 1.8787 C.3 1 UNK -0.0305 16 C10 -1.2475 -3.0249 -0.9725 C.3 1 UNK -0.0205 17 C11 -0.7035 1.3930 -0.7685 C.ar 1 UNK -0.0343 18 C12 -2.6725 0.6252 0.4387 C.ar 1 UNK 0.1664 19 C13 3.1361 1.1845 0.6904 C.3 1 UNK -0.0286 20 C14 4.1161 0.6863 -0.3487 C.3 1 UNK -0.0008 21 C15 -1.4530 2.4775 -1.2233 C.ar 1 UNK -0.0544 22 C16 4.7423 -0.6903 -0.0437 C.3 1 UNK -0.0454 23 C17 5.5382 1.2737 -0.2317 C.3 1 UNK -0.0454 24 C18 -3.4244 1.6968 0.0158 C.ar 1 UNK 0.1588 25 C19 6.0646 -0.1278 -0.6055 C.3 1 UNK -0.0522 26 C20 -2.7971 2.6354 -0.8173 C.ar 1 UNK -0.0162 27 H 1.4571 -1.9484 1.3804 H 1 UNK 0.2105 28 H1 -3.9378 -1.2320 -0.8942 H 1 UNK 0.2099 29 H2 -5.1365 1.1936 0.9094 H 1 UNK 0.2923 30 H3 2.3831 -0.6126 1.1884 H 1 UNK 0.2037 31 H4 2.1380 -0.4381 -1.1199 H 1 UNK 0.0883 32 H5 -1.9050 -2.1463 1.7268 H 1 UNK 0.0769 33 H6 0.2066 -1.0716 2.6323 H 1 UNK 0.0328 34 H7 -0.8761 0.3228 2.6268 H 1 UNK 0.0328 35 H8 0.6001 -2.4662 -1.9056 H 1 UNK 0.0296 36 H9 -0.6589 -1.2501 -2.0136 H 1 UNK 0.0296 37 H10 -3.0625 -3.1323 0.1608 H 1 UNK 0.0630 38 H11 0.6671 0.8216 -2.2563 H 1 UNK 0.0369 39 H12 1.2879 1.9428 -1.0140 H 1 UNK 0.0369 40 H13 0.7053 1.6975 1.5946 H 1 UNK 0.0815 41 H14 1.6188 0.7691 2.8009 H 1 UNK 0.0815 42 H15 -0.7970 -3.7255 -0.3008 H 1 UNK 0.0292 43 H16 -1.5956 -3.5137 -1.8584 H 1 UNK 0.0292 44 H17 3.6409 1.2743 1.6295 H 1 UNK 0.0817 45 H18 2.7587 2.1326 0.3685 H 1 UNK 0.0817 46 H19 3.5053 0.8501 -1.2118 H 1 UNK 0.0352 47 H20 -1.0240 3.1678 -1.8593 H 1 UNK 0.0622 48 H21 4.3288 -1.5037 -0.6025 H 1 UNK 0.0270 49 H22 4.6844 -1.1353 0.9276 H 1 UNK 0.0270 50 H23 5.8061 1.6053 0.7497 H 1 UNK 0.0270 51 H24 5.8339 2.1508 -0.7685 H 1 UNK 0.0270 52 H25 6.2090 -0.2867 -1.6537 H 1 UNK 0.0266 53 H26 7.0173 -0.4819 -0.2710 H 1 UNK 0.0266 54 H27 -3.3288 3.4587 -1.1405 H 1 UNK 0.0655 @BOND 1 1 9 1 2 1 18 1 3 2 7 1 4 3 13 1 5 4 24 1 6 5 8 1 7 5 15 1 8 5 19 1 9 6 7 1 10 6 9 1 11 6 10 1 12 6 11 1 13 7 8 1 14 7 12 1 15 8 14 1 16 9 13 1 17 10 15 1 18 11 17 ar 19 11 18 ar 20 12 16 1 21 13 16 1 22 14 17 1 23 17 21 ar 24 18 24 ar 25 19 20 1 26 20 22 1 27 20 23 1 28 21 26 ar 29 22 25 1 30 23 25 1 31 24 26 ar 32 2 27 1 33 3 28 1 34 4 29 1 35 5 30 1 36 8 31 1 37 9 32 1 38 10 33 1 39 10 34 1 40 12 35 1 41 12 36 1 42 13 37 1 43 14 38 1 44 14 39 1 45 15 40 1 46 15 41 1 47 16 42 1 48 16 43 1 49 19 44 1 50 19 45 1 51 20 46 1 52 21 47 1 53 22 48 1 54 22 49 1 55 23 50 1 56 23 51 1 57 25 52 1 58 25 53 1 59 26 54 1