@MOLECULE FDBD03173 52 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1124 2.3472 1.9909 C.3 1 UNK -0.0653 2 C1 -0.1056 3.2268 3.2275 C.3 1 UNK -0.0559 3 C2 1.0377 2.9223 4.1593 C.3 1 UNK -0.0533 4 C3 2.4086 3.1177 3.5247 C.3 1 UNK -0.0531 5 C4 3.3582 2.7521 4.6554 C.3 1 UNK -0.0531 6 C5 4.7762 2.8574 4.2257 C.3 1 UNK -0.0530 7 C6 5.5696 2.5445 5.5770 C.3 1 UNK -0.0510 8 C7 5.9973 3.7713 6.4270 C.3 1 UNK -0.0295 9 C8 6.3299 5.1468 5.7324 C.3 1 UNK 0.0477 10 O 7.6323 5.3547 5.1064 O.3 1 UNK -0.3796 11 C9 7.8380 5.1292 3.6772 C.3 1 UNK 0.0525 12 C10 8.3884 3.7016 3.3444 C.3 1 UNK 0.0108 13 C11 7.1861 2.8250 3.6137 C.3 1 UNK -0.0333 14 N 7.3696 1.4126 3.5017 N.4 1 UNK 0.2186 15 C12 -2.4214 -1.7663 2.7111 C.3 1 UNK 0.0455 16 O1 -1.7062 -2.8772 3.2044 O.3 1 UNK -0.3133 17 P -0.1115 -2.9211 2.8769 P.3 1 UNK 0.3184 18 O2 0.6969 -2.9242 4.1032 O.2 1 UNK -0.2620 19 O3 -0.0641 -4.3996 2.2087 O.3 1 UNK -0.3260 20 H -0.9439 2.6100 1.3709 H 1 UNK 0.0230 21 H1 -0.1957 1.3213 2.2834 H 1 UNK 0.0230 22 H2 0.7976 2.4901 1.4465 H 1 UNK 0.0230 23 H3 -1.0245 3.0798 3.7557 H 1 UNK 0.0263 24 H4 0.0090 4.2390 2.9000 H 1 UNK 0.0263 25 H5 0.9537 1.9039 4.4767 H 1 UNK 0.0265 26 H6 0.9688 3.6096 4.9765 H 1 UNK 0.0265 27 H7 2.5494 4.1325 3.2160 H 1 UNK 0.0265 28 H8 2.5546 2.5306 2.6422 H 1 UNK 0.0265 29 H9 3.1615 1.7467 4.9642 H 1 UNK 0.0265 30 H10 3.1990 3.4349 5.4637 H 1 UNK 0.0265 31 H11 4.9992 3.8397 3.8647 H 1 UNK 0.0265 32 H12 5.0284 2.1997 3.4203 H 1 UNK 0.0265 33 H13 6.4557 2.0043 5.3165 H 1 UNK 0.0266 34 H14 4.8824 1.9999 6.1902 H 1 UNK 0.0266 35 H15 6.8741 3.4801 6.9667 H 1 UNK 0.0287 36 H16 5.1159 3.9929 6.9917 H 1 UNK 0.0287 37 H17 6.2230 5.9041 6.4807 H 1 UNK 0.0560 38 H18 5.6530 5.1729 4.9041 H 1 UNK 0.0560 39 H19 8.5372 5.8545 3.3168 H 1 UNK 0.0562 40 H20 6.8827 5.2171 3.2034 H 1 UNK 0.0562 41 H21 9.2076 3.4432 3.9824 H 1 UNK 0.0339 42 H22 8.7724 3.6104 2.3498 H 1 UNK 0.0339 43 H23 6.4210 3.1062 2.9205 H 1 UNK 0.0814 44 H24 6.9486 2.9914 4.6436 H 1 UNK 0.0814 45 H25 7.6012 1.1753 2.5371 H 1 UNK 0.1994 46 H26 6.5096 0.9355 3.7721 H 1 UNK 0.1994 47 H27 8.1290 1.1186 4.1159 H 1 UNK 0.1994 48 H28 -3.4509 -1.8526 2.9897 H 1 UNK 0.0529 49 H29 -2.3419 -1.7360 1.6445 H 1 UNK 0.0529 50 H30 -2.0140 -0.8675 3.1248 H 1 UNK 0.0529 51 H31 0.0759 -2.7718 4.2359 H 1 UNK 0.1593 52 H32 -0.2135 -4.3274 1.2530 H 1 UNK 0.2195 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 15 16 1 15 16 17 1 16 17 18 2 17 17 19 1 18 1 20 1 19 1 21 1 20 1 22 1 21 2 23 1 22 2 24 1 23 3 25 1 24 3 26 1 25 4 27 1 26 4 28 1 27 5 29 1 28 5 30 1 29 6 31 1 30 6 32 1 31 7 33 1 32 7 34 1 33 8 35 1 34 8 36 1 35 9 37 1 36 9 38 1 37 11 39 1 38 11 40 1 39 12 41 1 40 12 42 1 41 13 43 1 42 13 44 1 43 14 45 1 44 14 46 1 45 14 47 1 46 15 48 1 47 15 49 1 48 15 50 1 49 17 51 1 50 19 52 1