
 -157.122441 

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 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07380
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28600
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.39670
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.35850
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.03220
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17770
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.30580
 H       1.11313  1    115.14887  1    337.54635  1     7   6   5    0.08480
 C       1.54284  1    113.62287  1    179.76597  1     6   5   3   -0.07180
 C       1.46301  1    112.37443  1    285.38229  1    10   6   5   -0.23050
 C       1.40453  1    126.84292  1     94.03598  1    11  10   6   -0.06240
 N       1.38463  1    110.73611  1    178.46904  1    12  11  10   -0.19970
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 C       1.45120  1    108.56512  1    358.84504  1    14  13  12   -0.07620
 C       1.39660  1    119.43226  1    181.03919  1    15  14  13   -0.10100
 C       1.38538  1    119.01481  1    359.70797  1    16  15  14   -0.16650
 C       1.40805  1    121.31527  1      0.00000  1    17  16  15   -0.14200
 C       1.38438  1    121.63377  1      0.17067  1    18  17  16   -0.12470
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 H       0.99799  1    122.20768  1    355.91935  1     5   3   2    0.26010
 C       1.54536  1    116.59517  1    163.31610  1     2   3   4   -0.17860
 C       1.50506  1    112.22358  1     73.25765  1    30   2   3    0.29870
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 O       1.31876  1    117.13830  1     55.89008  1    31  30   2   -0.39710
 C       1.83484  0    110.74278  1    185.62716  1    33  31  30    0.13500
Cl       2.92761  1    162.61333  1     36.22026  1    34  33  31   -0.82780
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 H       1.10152  1     98.25205  1    282.51932  1    34  33  31    0.14830
 C       1.47972  1    100.15359  1    160.40831  1    34  33  31   -0.14890
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 H       1.12448  1    109.27315  1    191.64248  1    30   2   3    0.13250
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 H       1.14438  1    104.84713  1    279.36939  1     2   3   4    0.14490
 H       1.00245  1    110.82702  1     65.76836  1     1   2   3    0.13540
 H       1.00453  1    110.02023  1    305.95175  1     1   2   3    0.16360
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33080
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10550
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.21210
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27640
 H       1.11329  1    113.71066  1    305.19963  1    49  48  47    0.07520
 C       1.53969  1    113.44064  1    350.40611  1    48  47   3   -0.09470
 C       1.46262  1    114.50774  1    168.53151  1    52  48  47   -0.22950
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 C       1.45323  1    108.46347  1    358.91276  1    56  55  54   -0.06460
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 H       1.09283  1    128.92598  1      3.36087  1    54  53  52    0.16570
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 H       1.00149  1     91.21292  1    341.55918  1    47   3   2    0.14120
 H       1.00221  1     78.68785  1    233.01721  1    47   3   2    0.13320

