ATOM        52
            1   C1a C     1.7519  -15.1231
            2   C1d C     2.9420  -14.4230
            3   C1c C     4.2022  -15.1231
            4   C2b C     5.3924  -14.4230
            5   C2b C     6.5826  -15.1231
            6   C2c C     7.8428  -14.4230
            7   C2b C     9.0330  -15.1231
            8   C2b C    10.2232  -14.4230
            9   C2b C    11.4834  -15.1231
            10  C2c C    12.6736  -14.4230
            11  C2b C    13.8638  -15.1231
            12  C2b C    15.1240  -14.4230
            13  C2b C    16.3142  -15.1231
            14  C2c C    17.5043  -14.4230
            15  C2b C    18.6945  -15.1231
            16  C2b C    19.9547  -14.4230
            17  C2b C    21.1449  -15.1231
            18  C2b C    22.3351  -14.4230
            19  C2c C    23.5953  -15.1231
            20  C2b C    24.7855  -14.4230
            21  C2b C    25.9757  -15.1231
            22  C2b C    27.2359  -14.4230
            23  C2c C    28.4261  -15.1231
            24  C2b C    29.6163  -14.4230
            25  C2b C    30.8765  -15.1231
            26  C2b C    32.0666  -14.4230
            27  C2c C    33.2568  -15.1231
            28  C1b C    34.5170  -14.4230
            29  C1b C    35.7072  -15.1231
            30  C1c C    36.8974  -14.4230
            31  C1d C    38.1576  -15.1231
            32  C1a C    39.3478  -14.4230
            33  O1a O     2.9420  -13.0228
            34  C1a C     7.8428  -13.0228
            35  C1a C    12.6736  -13.0228
            36  C1a C    17.5043  -13.0228
            37  C1a C    23.5953  -16.5234
            38  C1a C    28.4261  -16.5234
            39  C1a C    33.2568  -16.5234
            40  C1b C     4.2022  -16.5234
            41  C2b C     2.9420  -17.2235
            42  C2c C     2.9420  -18.6237
            43  C1a C     1.7519  -19.3238
            44  C1a C     4.1322  -19.3238
            45  O1a O    38.1576  -16.7334
            46  C1a C     1.7519  -13.7229
            47  C1b C    36.8974  -13.0230
            48  C2b C    37.8874  -12.0331
            49  C2c C    37.8874  -10.6331
            50  C1a C    39.0838   -9.9423
            51  C1a C    36.6650   -9.9272
            52  C1a C    39.3700  -15.8231
BOND        51
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   26  27 2
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32    2  33 1
            33    6  34 1
            34   10  35 1
            35   14  36 1
            36   19  37 1
            37   23  38 1
            38   27  39 1
            39    3  40 1 #Down
            40   40  41 1
            41   41  42 2
            42   42  43 1
            43   42  44 1
            44   31  45 1
            45    2  46 1
            46   30  47 1 #Down
            47   47  48 1
            48   48  49 2
            49   49  50 1
            50   49  51 1
            51   31  52 1