ATOM        75
            1   C2x C     5.4595  -25.5789
            2   C2x C     6.8594  -25.5663
            3   C2y C     7.5487  -24.3701
            4   C2x C     6.8381  -23.1864
            5   C2x C     5.4381  -23.1990
            6   C2y C     4.7489  -24.3952
            7   N2b N     3.3489  -24.4078 #+
            8   C2c C     8.9487  -24.3575
            9   C8y C     9.6593  -25.5412
            10  C8y C     9.7729  -22.6001
            11  C8x C     8.9700  -26.7374
            12  C8x C     9.6813  -27.9911
            13  C8y C    11.0813  -27.9786
            14  C8x C    11.7006  -26.7829
            15  C8x C    11.0593  -25.5286
            16  C8x C    11.1729  -22.5875
            17  C8y C    11.8622  -21.3913
            18  C8x C    11.1515  -20.2076
            19  C8x C     9.7516  -20.2202
            20  C8y C     9.0623  -21.4164
            21  C1b C     2.6596  -25.6040
            22  C1b C     2.7083  -23.2235
            23  N1c N    11.7919  -29.1622
            24  C1b C    11.1026  -30.3585
            25  C1b C    13.1219  -29.2203
            26  C1a C    13.8325  -30.3340
            27  C1a C    11.7433  -31.5428
            28  S4a S     7.7324  -21.4283
            29  S4a S    13.2621  -21.4487
            30  O1d O     6.3324  -21.4409 #-
            31  O1d O     7.7198  -20.0284
            32  O1d O     7.6749  -22.8283
            33  O1d O    14.6621  -21.4362 #-
            34  O1d O    13.2496  -19.9788
            35  O1d O    13.2047  -22.8487
            36  C1a C     3.3703  -26.7877
            37  C1a C     3.3969  -21.9573
            38  Z   Ca   17.1500  -25.6340 #2+
            39  C2x C    29.8198  -25.9714
            40  C2x C    28.4198  -25.9708
            41  C2y C    27.7193  -27.1605
            42  C2x C    28.4188  -28.3508
            43  C2x C    29.8188  -28.3514
            44  C2y C    30.5193  -27.1617
            45  N2b N    31.9193  -27.1623 #+
            46  C2c C    26.3193  -27.1599
            47  C8y C    25.6198  -25.9696
            48  C8y C    25.4785  -28.9095
            49  C8x C    26.3203  -24.7799
            50  C8x C    25.6209  -23.5196
            51  C8y C    24.2209  -23.5190
            52  C8x C    23.5904  -24.7087
            53  C8x C    24.2198  -25.9690
            54  C8x C    24.0785  -28.9089
            55  C8y C    23.3780  -30.0986
            56  C8x C    24.0775  -31.2889
            57  C8x C    25.4775  -31.2895
            58  C8y C    26.1780  -30.0998
            59  C1b C    32.6198  -25.9726
            60  C1b C    32.5488  -28.3526
            61  N1c N    23.5214  -22.3287
            62  C1b C    24.2219  -21.1390
            63  C1b C    22.1914  -22.3281
            64  C1a C    21.4919  -21.1378
            65  C1a C    23.5924  -19.9487
            66  S4a S    27.5080  -30.1004
            67  S4a S    21.9780  -30.0980
            68  O1d O    28.9080  -30.1010 #-
            69  O1d O    27.5074  -31.5004
            70  O1d O    27.5086  -28.7004
            71  O1d O    20.5780  -30.0974 #-
            72  O1d O    21.9774  -31.4980
            73  O1d O    21.9786  -28.6980
            74  C1a C    31.9203  -24.7823
            75  C1a C    31.8482  -29.6123
BOND        78
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     3   8 2
            9     8   9 1
            10    8  10 1
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17   10  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   10  20 1
            23    7  21 1
            24    7  22 1
            25   13  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 1
            29   24  27 1
            30   20  28 1
            31   17  29 1
            32   28  30 1
            33   28  31 2
            34   28  32 2
            35   29  33 1
            36   29  34 2
            37   29  35 2
            38   21  36 1
            39   22  37 1
            40   39  40 2
            41   40  41 1
            42   41  42 1
            43   42  43 2
            44   43  44 1
            45   39  44 1
            46   44  45 2
            47   41  46 2
            48   46  47 1
            49   46  48 1
            50   47  49 2
            51   49  50 1
            52   50  51 2
            53   51  52 1
            54   52  53 2
            55   47  53 1
            56   48  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   48  58 1
            62   45  59 1
            63   45  60 1
            64   51  61 1
            65   61  62 1
            66   61  63 1
            67   63  64 1
            68   62  65 1
            69   58  66 1
            70   55  67 1
            71   66  68 1
            72   66  69 2
            73   66  70 2
            74   67  71 1
            75   67  72 2
            76   67  73 2
            77   59  74 1
            78   60  75 1