ATOM        46
            1   C1z C    28.1453  -20.5376
            2   C1y C    27.3855  -19.3746
            3   C1y C    27.5142  -21.7006
            4   C8y C    29.5595  -20.1752
            5   C1x C    29.7817  -21.3031
            6   C2y C    26.2400  -19.3980
            7   N1y N    28.2621  -18.2935
            8   N2y N    28.1453  -22.8461 #+
            9   C1x C    26.1932  -21.6714
            10  C8y C    29.5246  -18.8604
            11  C8x C    30.6174  -20.8825
            12  C1x C    29.4136  -22.5480
            13  C1y C    25.5680  -20.5142
            14  C2x C    25.1238  -18.5155
            15  C2x C    28.2563  -16.9025
            16  C1x C    26.9998  -23.4772
            17  C1a C    28.7822  -24.3474
            18  C8x C    30.6933  -18.2350
            19  C8x C    31.8563  -20.2454
            20  C2y C    24.8842  -21.6421
            21  N1y N    25.1298  -17.1363
            22  C2y C    27.3388  -16.0084
            23  C8x C    31.8271  -18.9246
            24  C2b C    23.4992  -21.6129
            25  C1y C    25.9595  -16.0084
            26  C8y C    23.8788  -16.6980
            27  C1y C    27.9057  -14.8278
            28  C1b C    22.8446  -20.3974
            29  C1z C    25.1472  -14.8805
            30  C8y C    23.8498  -15.3713
            31  C8x C    22.6401  -17.3234
            32  C1x C    27.2278  -13.6941
            33  C2y C    28.5368  -13.6707
            34  O1a O    21.4478  -20.3857
            35  C1y C    25.9070  -13.7232
            36  C1x C    23.6627  -14.2317
            37  C8x C    22.7277  -14.6700
            38  C8x C    21.5879  -16.6337
            39  C1x C    26.3453  -11.9291
            40  C2b C    29.9220  -13.6414
            41  N2y N    25.2231  -12.6070 #+
            42  C1x C    23.9783  -12.9694
            43  C8x C    21.5589  -15.3013
            44  C1b C    30.6348  -14.8220
            45  C1a C    24.5511  -11.0008
            46  O1a O    32.0200  -14.8220
BOND        56
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17   10  18 1
            18   11  19 2
            19   13  20 1
            20   14  21 1
            21   15  22 2
            22   18  23 2
            23   20  24 2
            24   21  25 1
            25   21  26 1
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   27  33 1
            33   28  34 1
            34   29  35 1
            35   29  36 1 #Up
            36   30  37 2
            37   31  38 1
            38   33  39 1
            39   33  40 2
            40   35  41 1
            41   36  42 1
            42   37  43 1
            43   40  44 1
            44   41  45 1 #Down
            45   44  46 1
            46    7  10 1
            47    8  12 1
            48    9  13 1
            49   16  20 1
            50   19  23 1
            51   22  25 1
            52   29  30 1
            53   32  35 1
            54   38  43 2
            55   39  41 1
            56   41  42 1