ATOM        27
            1   C1y C    27.3399  -15.9144
            2   N1x N    28.5331  -15.2273
            3   C1x C    28.5321  -13.8598
            4   C1x C    27.3515  -13.1737
            5   C1y C    28.5255  -20.2781
            6   C1y C    28.5255  -18.9398
            7   C1y C    29.6706  -20.9595
            8   C2b C    27.3729  -20.9420
            9   C2y C    29.6706  -18.2703
            10  C1b C    27.3448  -18.2560
            11  O1a O    29.6779  -22.3256
            12  O2x O    30.8348  -20.2781
            13  C2a C    26.2264  -20.2664
            14  C2x C    30.8348  -18.9398
            15  C7a C    29.6648  -16.9495
            16  O7a O    30.8172  -16.2868
            17  O6a O    28.5138  -16.2928
            18  C1a C    31.9637  -16.9495
            19  C8y C    26.1524  -15.2188
            20  C8y C    26.1642  -13.8481
            21  N4x N    24.9681  -15.9048
            22  C8y C    23.7818  -15.1983
            23  C8y C    23.8005  -13.8317
            24  C8x C    22.6308  -13.1357
            25  C8x C    21.4355  -13.7995
            26  C8x C    21.4170  -15.1732
            27  C8x C    22.5936  -15.8692
BOND        30
            1     5   8 1
            2     6   9 1
            3     6  10 1
            4     7  11 1 #Up
            5     7  12 1
            6     8  13 2
            7     9  14 2
            8     9  15 1
            9    15  16 1
            10   15  17 2
            11   16  18 1
            12   12  14 1
            13   10   1 1
            14   19  20 2
            15   20   4 1
            16    3   4 1
            17   22  21 1
            18   21  19 1
            19   20  23 1
            20    1  19 1
            21    1   2 1
            22    2   3 1
            23    5   6 1
            24    5   7 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  22 1