


 N       0.00000  0      0.00000  0      0.00000  0     0   0   0   -0.31840
 C       1.43303  0      0.00000  0      0.00000  0     1   0   0   -0.07220
 C       1.48960  0    114.37444  0      0.00000  0     2   1   0    0.28990
 O       1.22130  0    115.94220  0     35.04188  0     3   2   1   -0.42250
 N       1.33077  0    117.40408  0    215.46347  0     3   2   1   -0.36320
 C       1.45261  0    123.47676  0    179.50902  0     5   3   2   -0.02500
 C       1.53773  0    111.93592  0    301.16164  0     6   5   3    0.17940
 O       1.25976  0    125.77695  0    157.62358  0     7   6   5   -0.31880
 H       1.11319  1    115.13193  1    337.94104  1     7   6   5    0.08950
 C       1.54114  1    113.93817  1    179.73652  1     6   5   3   -0.07880
 C       1.46556  1    112.83144  1    283.65094  1    10   6   5   -0.19810
 C       1.39831  1    126.23735  1     87.69101  1    11  10   6   -0.04100
 N       1.39303  1    110.11976  1    177.86320  1    12  11  10   -0.21150
 C       1.39711  1    108.54374  1      1.04017  1    13  12  11   -0.01320
 C       1.44998  1    107.98594  1    358.92912  1    14  13  12   -0.06420
 C       1.39474  1    119.26707  1    180.83677  1    15  14  13   -0.09190
 C       1.38779  1    119.04101  1    359.87084  1    16  15  14   -0.16480
 C       1.40546  1    121.33692  1      0.00000  1    17  16  15   -0.13200
 C       1.38688  1    121.57412  1      0.08068  1    18  17  16   -0.14280
 H       1.09762  1    121.21528  1    180.07351  1    19  18  17    0.12620
 H       1.09964  1    119.04928  1    180.18955  1    18  17  16    0.11640
 H       1.09926  1    119.67972  1    180.19862  1    17  16  15    0.11760
 H       1.09954  1    119.97972  1    180.11346  1    16  15  14    0.13310
 H       0.98889  1    125.25611  1    173.94714  1    13  12  11    0.26220
 H       1.10312  1    128.70017  1    357.21075  1    12  11  10    0.23460
 H       1.12371  1    109.84029  1     46.57638  1    10   6   5    0.09760
 H       1.12522  1    107.08186  1    163.52418  1    10   6   5    0.09690
 H       1.13322  1    108.41436  1     58.70927  1     6   5   3    0.12640
 H       1.00471  1    121.78302  1    356.62722  1     5   3   2    0.28600
 C       1.54365  1    116.52608  1    164.15128  1     2   3   4   -0.21440
 C       1.52422  1    112.12653  1     72.11844  1    30   2   3    0.32290
 O       1.27341  1    117.96206  1    243.71033  1    31  30   2   -0.61420
 O       1.26539  1    120.66354  1     63.11708  1    31  30   2   -0.58110
 C       2.48484  0    115.48509  1    186.15606  1    33  31  30   -0.07370
Cl       1.79522  1    160.41666  1    345.82058  1    34  33  31   -0.24150
 H       1.12237  1     60.16180  1     29.38424  1    34  33  31    0.17960
 H       1.11473  1     70.65013  1    261.50587  1    34  33  31    0.14060
 C       1.49914  1     86.85670  1    146.15958  1    34  33  31   -0.10900
 H       1.11527  1    112.15825  1    245.23862  1    38  34  33    0.09930
 H       1.12235  1    108.28213  1      7.60242  1    38  34  33    0.16810
Cl       1.76688  1    113.10331  1    125.64105  1    38  34  33   -0.16790
 H       1.12177  1    109.14836  1    190.31556  1    30   2   3    0.10470
 H       1.11849  1    110.66183  1    308.94110  1    30   2   3    0.07390
 H       1.14443  1    104.67298  1    279.40752  1     2   3   4    0.14200
 H       1.00250  1    110.64122  1     71.52669  1     1   2   3    0.12680
 H       1.00463  1    110.19602  1    311.86375  1     1   2   3    0.15100
 N      14.20335  0     59.28055  0    165.82135  0     3   2   1   -0.33000
 C       1.46213  0     44.41215  0     98.20624  0    47   3   2   -0.10390
 C       1.54890  0    109.51012  0    112.42708  0    48  47   3    0.20620
 O       1.23101  0    125.00583  0    126.76891  0    49  48  47   -0.27590
 H       1.11362  1    113.74033  1    305.35442  1    49  48  47    0.07640
 C       1.53815  1    113.69021  1    350.42688  1    48  47   3   -0.10500
 C       1.46499  1    114.46897  1    191.56359  1    52  48  47   -0.19210
 C       1.39985  1    124.61720  1    233.23583  1    53  52  48   -0.04070
 N       1.39045  1    110.36490  1    183.19460  1    54  53  52   -0.19350
 C       1.39696  1    108.34503  1      1.35613  1    55  54  53   -0.00350
 C       1.44998  1    108.15648  1    358.88902  1    56  55  54   -0.06180
 C       1.39604  1    118.97897  1    179.96818  1    57  56  55   -0.09410
 C       1.38669  1    119.18737  1      0.26142  1    58  57  56   -0.15920
 C       1.40629  1    121.37482  1    359.91996  1    59  58  57   -0.12610
 C       1.38563  1    121.52583  1    359.93420  1    60  59  58   -0.13190
 H       1.09827  1    121.33499  1    180.44069  1    61  60  59    0.13700
 H       1.09987  1    119.04817  1    180.10528  1    60  59  58    0.12210
 H       1.09940  1    119.70145  1    179.97888  1    59  58  57    0.11890
 H       1.09888  1    120.25037  1    180.42474  1    58  57  56    0.12190
 H       0.98907  1    125.27823  1    173.85848  1    55  54  53    0.26900
 H       1.09493  1    129.26840  1      2.30504  1    54  53  52    0.18380
 H       1.12707  1    108.25116  1    312.41754  1    52  48  47    0.08560
 H       1.12479  1    109.02756  1     68.55757  1    52  48  47    0.08130
 H       1.12915  1    107.74297  1    229.58340  1    48  47   3    0.13000
 H       1.00140  1     93.51858  1    343.93524  1    47   3   2    0.14600
 H       1.00186  1     77.24050  1    235.67571  1    47   3   2    0.13530

