@<TRIPOS>MOLECULE
FDBD00005
 196 196 0 0 0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 C          -1.1177    4.4958   -2.1318 C.3     1   UNK        -0.0468
      2 C1          1.5577    3.2846    1.3856 C.3     1   UNK        -0.0629
      3 C2          6.7910    1.0449    0.9920 C.3     1   UNK        -0.0626
      4 C3          8.0703    0.4855   -1.0977 C.3     1   UNK        -0.0626
      5 C4          7.0714   -6.3634   -2.2087 C.3     1   UNK        -0.0626
      6 C5          5.4029   -6.0593   -4.0638 C.3     1   UNK        -0.0626
      7 C6         -2.6055  -11.1133    1.3879 C.3     1   UNK        -0.0626
      8 C7         -3.9231  -11.4099   -0.7335 C.3     1   UNK        -0.0626
      9 C8         -4.8176   -2.2224    3.0169 C.3     1   UNK        -0.0626
     10 C9         -3.2099   -3.1668    4.6968 C.3     1   UNK        -0.0626
     11 C10         6.9325   -2.9385    4.1361 C.3     1   UNK        -0.0603
     12 C11         7.5244   -5.3699    3.9577 C.3     1   UNK        -0.0603
     13 C12        -6.2689   -1.7415   -1.9879 C.3     1   UNK        -0.0605
     14 C13        -5.0850   -3.8432   -2.7626 C.3     1   UNK        -0.0605
     15 C14        -6.1611    3.6248    1.3419 C.3     1   UNK        -0.0597
     16 C15         2.9179  -11.0280   -1.4685 C.3     1   UNK        -0.0339
     17 C16        -0.2559   -7.6174   -3.5931 C.3     1   UNK        -0.0340
     18 C17        -0.8113   -0.8193    1.3103 C.3     1   UNK         0.0037
     19 C18         3.4826   -2.1480   -1.3670 C.3     1   UNK         0.0040
     20 C19         3.4290   -5.1659    1.0655 C.3     1   UNK         0.0040
     21 C20        -0.2797   -7.0968    0.7006 C.3     1   UNK         0.0040
     22 C21        -3.8565   -6.1963   -0.7283 C.3     1   UNK         0.0040
     23 C22        -2.2121   -3.7411   -0.2769 C.3     1   UNK         0.0040
     24 C23        -3.3748    0.2013   -2.8756 C.3     1   UNK         0.0041
     25 C24        -2.5898    4.3205   -1.8910 C.2     1   UNK        -0.0910
     26 C25         0.5963    3.0635    0.2030 C.3     1   UNK        -0.0247
     27 C26        -3.1448    4.6246   -0.7126 C.2     1   UNK        -0.0879
     28 C27        -4.6182    4.4426   -0.4774 C.3     1   UNK        -0.0298
     29 C28         5.9052   -0.6933   -0.6075 C.3     1   UNK        -0.0233
     30 C29         4.6228   -6.1066   -1.6762 C.3     1   UNK        -0.0233
     31 C30        -3.6003   -9.1078    0.2236 C.3     1   UNK        -0.0234
     32 C31        -3.3421   -4.1831    2.4059 C.3     1   UNK        -0.0234
     33 C32         1.2932   -1.8146    0.3098 C.3     1   UNK         0.0909
     34 C33         7.1752   -0.0845    0.0176 C.3     1   UNK        -0.0446
     35 C34         5.6394   -6.6855   -2.6774 C.3     1   UNK        -0.0446
     36 C35        -2.9478  -10.4889    0.0219 C.3     1   UNK        -0.0446
     37 C36        -4.1540   -3.5139    3.5313 C.3     1   UNK        -0.0446
     38 C37         7.0877   -4.1238    3.1642 C.3     1   UNK        -0.0157
     39 C38        -4.9222   -2.3480   -2.4287 C.3     1   UNK        -0.0195
     40 C39        -4.8504    3.3474    0.5829 C.3     1   UNK        -0.0121
     41 C40         2.5247   -9.6365   -0.9377 C.3     1   UNK         0.1262
     42 C41        -0.1732   -7.4271   -2.0639 C.3     1   UNK         0.1273
     43 C42        -0.1269    1.7129    0.3733 C.3     1   UNK         0.1299
     44 C43         5.0583   -1.3856    0.4807 C.3     1   UNK         0.1012
     45 C44         4.7754   -6.8207   -0.3195 C.3     1   UNK         0.1012
     46 C45        -2.5733   -8.1327    0.8352 C.3     1   UNK         0.1024
     47 C46        -4.2885   -4.7625    1.3330 C.3     1   UNK         0.1023
     48 C47         2.6785   -1.5477    0.8349 C.2     1   UNK         0.2333
     49 C48         5.7485   -4.3996    2.4436 C.3     1   UNK         0.1324
     50 C49        -3.8041   -2.1232   -1.3843 C.3     1   UNK         0.1044
     51 C50        -3.5802    1.6271   -0.7946 C.3     1   UNK         0.1270
     52 C51        -4.8997    1.9438   -0.0592 C.3     1   UNK         0.0851
     53 C52         1.2448   -9.1273   -1.5425 C.2     1   UNK         0.2083
     54 C53         3.7365   -7.8980   -0.1730 C.2     1   UNK         0.2044
     55 C54         5.7029   -2.6356    1.0092 C.2     1   UNK         0.2044
     56 C55        -2.3601    1.7019    0.0794 C.2     1   UNK         0.2070
     57 C56        -1.3880   -7.8941   -1.2994 C.2     1   UNK         0.2403
     58 C57         0.7772    0.5422    0.0862 C.2     1   UNK         0.2404
     59 C58        -3.2056   -6.9312    1.4816 C.2     1   UNK         0.2365
     60 C59        -4.5634   -3.6773    0.3254 C.2     1   UNK         0.2365
     61 C60         5.8164   -5.4718    1.3814 C.2     1   UNK         0.2408
     62 C61        -3.8295   -0.7789   -0.7063 C.2     1   UNK         0.2368
     63 N           3.5866   -8.6843   -1.1659 N.2     1   UNK        -0.2406
     64 N1          1.0877   -7.8606   -1.5009 N.2     1   UNK        -0.2405
     65 N2         -1.2447    1.6658   -0.5369 N.2     1   UNK        -0.2404
     66 N3          5.0982   -3.1873    1.9892 N.2     1   UNK        -0.2402
     67 N4          0.4245   -0.6754    0.5611 N.am    1   UNK        -0.2940
     68 N5          3.7235   -1.6863   -0.0098 N.am    1   UNK        -0.2916
     69 N6          4.6834   -5.8220    0.7320 N.am    1   UNK        -0.2911
     70 N7         -1.4135   -7.7290    0.0472 N.am    1   UNK        -0.2912
     71 N8         -3.7679   -5.9737    0.7062 N.am    1   UNK        -0.2914
     72 N9         -3.5513   -3.2018   -0.4407 N.am    1   UNK        -0.2912
     73 N10        -3.6136    0.3307   -1.4492 N.am    1   UNK        -0.2889
     74 O           2.8063   -1.2059    1.9999 O.2     1   UNK        -0.2739
     75 O1         -5.9885    1.8537   -0.9828 O.3     1   UNK        -0.3892
     76 O2          0.4176   -9.9374   -2.0443 O.2     1   UNK        -0.4942
     77 O3          3.0685   -7.9730    0.8834 O.2     1   UNK        -0.4944
     78 O4          6.7614   -3.0631    0.4876 O.2     1   UNK        -0.4944
     79 O5         -2.4773    1.7906    1.3235 O.2     1   UNK        -0.4943
     80 O6         -2.2985   -8.3985   -1.9388 O.2     1   UNK        -0.2733
     81 O7          1.7983    0.7283   -0.5581 O.2     1   UNK        -0.2733
     82 O8         -3.1633   -6.8687    2.7000 O.2     1   UNK        -0.2735
     83 O9         -5.7091   -3.2649    0.2513 O.2     1   UNK        -0.2735
     84 O10         6.8943   -5.9874    1.1305 O.2     1   UNK        -0.2732
     85 O11        -4.0332   -0.7388    0.4969 O.2     1   UNK        -0.2735
     86 H          -0.8818    4.1967   -3.1317 H       1   UNK         0.0272
     87 H1         -0.5687    3.8918   -1.4399 H       1   UNK         0.0272
     88 H2         -0.8539    5.5238   -1.9954 H       1   UNK         0.0272
     89 H3          2.0594    4.2222    1.2669 H       1   UNK         0.0231
     90 H4          2.2791    2.4948    1.4113 H       1   UNK         0.0231
     91 H5          1.0025    3.2904    2.3003 H       1   UNK         0.0231
     92 H6          7.6776    1.4623    1.4216 H       1   UNK         0.0232
     93 H7          6.1701    0.6499    1.7688 H       1   UNK         0.0232
     94 H8          6.2584    1.8070    0.4625 H       1   UNK         0.0232
     95 H9          8.9528    0.9088   -0.6654 H       1   UNK         0.0232
     96 H10         7.5359    1.2433   -1.6316 H       1   UNK         0.0232
     97 H11         8.3443   -0.2994   -1.7713 H       1   UNK         0.0232
     98 H12         7.7745   -6.7672   -2.9069 H       1   UNK         0.0232
     99 H13         7.2371   -6.7968   -1.2445 H       1   UNK         0.0232
    100 H14         7.1971   -5.3025   -2.1492 H       1   UNK         0.0232
    101 H15         6.1084   -6.4602   -4.7613 H       1   UNK         0.0232
    102 H16         5.5263   -4.9983   -4.0017 H       1   UNK         0.0232
    103 H17         4.4096   -6.2842   -4.3920 H       1   UNK         0.0232
    104 H18        -2.1531  -12.0714    1.2388 H       1   UNK         0.0232
    105 H19        -3.5009  -11.2272    1.9624 H       1   UNK         0.0232
    106 H20        -1.9247  -10.4750    1.9113 H       1   UNK         0.0232
    107 H21        -3.4710  -12.3694   -0.8742 H       1   UNK         0.0232
    108 H22        -4.1532  -10.9809   -1.6863 H       1   UNK         0.0232
    109 H23        -4.8229  -11.5195   -0.1650 H       1   UNK         0.0232
    110 H24        -5.3772   -1.7693    3.8084 H       1   UNK         0.0232
    111 H25        -5.4739   -2.4575    2.2052 H       1   UNK         0.0232
    112 H26        -4.0626   -1.5433    2.6798 H       1   UNK         0.0232
    113 H27        -3.7685   -2.7015    5.4819 H       1   UNK         0.0232
    114 H28        -2.4507   -2.4957    4.3531 H       1   UNK         0.0232
    115 H29        -2.7543   -4.0620    5.0655 H       1   UNK         0.0232
    116 H30         7.8648   -2.7568    4.6288 H       1   UNK         0.0233
    117 H31         6.1834   -3.1700    4.8643 H       1   UNK         0.0233
    118 H32         6.6415   -2.0654    3.5902 H       1   UNK         0.0233
    119 H33         8.4516   -5.1704    4.4531 H       1   UNK         0.0233
    120 H34         7.6484   -6.1944    3.2871 H       1   UNK         0.0233
    121 H35         6.7765   -5.6104    4.6841 H       1   UNK         0.0233
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    124 H38        -6.5797   -2.1930   -1.0690 H       1   UNK         0.0233
    125 H39        -5.8641   -3.9643   -3.4859 H       1   UNK         0.0233
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    128 H42        -6.1184    4.5986    1.7833 H       1   UNK         0.0233
    129 H43        -6.2910    2.8907    2.1094 H       1   UNK         0.0233
    130 H44        -6.9847    3.5779    0.6604 H       1   UNK         0.0233
    131 H45         2.1189  -11.7168   -1.2897 H       1   UNK         0.0255
    132 H46         3.7994  -11.3658   -0.9649 H       1   UNK         0.0255
    133 H47         3.1085  -10.9680   -2.5197 H       1   UNK         0.0255
    134 H48        -1.2085   -7.2789   -3.9436 H       1   UNK         0.0255
    135 H49        -0.1362   -8.6538   -3.8305 H       1   UNK         0.0255
    136 H50         0.5196   -7.0514   -4.0654 H       1   UNK         0.0255
    137 H51        -0.9318   -1.8403    1.6068 H       1   UNK         0.0429
    138 H52        -1.6370   -0.5265    0.6960 H       1   UNK         0.0429
    139 H53        -0.7756   -0.1971    2.1801 H       1   UNK         0.0429
    140 H54         4.4112   -2.2006   -1.8959 H       1   UNK         0.0429
    141 H55         2.8267   -1.4648   -1.8650 H       1   UNK         0.0429
    142 H56         3.0325   -3.1183   -1.3390 H       1   UNK         0.0429
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    144 H58         3.5179   -4.1146    0.8872 H       1   UNK         0.0429
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    148 H62         0.6038   -7.6719    0.5173 H       1   UNK         0.0429
    149 H63        -4.3224   -5.3521   -1.1921 H       1   UNK         0.0429
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    152 H66        -1.5456   -3.2535   -0.9572 H       1   UNK         0.0429
    153 H67        -2.2233   -4.7916   -0.4799 H       1   UNK         0.0429
    154 H68        -1.8812   -3.5754    0.7271 H       1   UNK         0.0429
    155 H69        -3.2250    1.1713   -3.3016 H       1   UNK         0.0429
    156 H70        -4.2198   -0.2647   -3.3379 H       1   UNK         0.0429
    157 H71        -2.5036   -0.3981   -3.0384 H       1   UNK         0.0429
    158 H72        -3.1860    3.9576   -2.6512 H       1   UNK         0.0566
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    160 H74        -0.1251    3.8533    0.1778 H       1   UNK         0.0288
    161 H75        -2.5512    4.9905    0.0482 H       1   UNK         0.0569
    162 H76        -5.0906    4.1551   -1.3934 H       1   UNK         0.0311
    163 H77        -5.0351    5.3641   -0.1284 H       1   UNK         0.0311
    164 H78         6.1853   -1.4123   -1.3488 H       1   UNK         0.0290
    165 H79         5.3275    0.0870   -1.0573 H       1   UNK         0.0290
    166 H80         3.6308   -6.2559   -2.0484 H       1   UNK         0.0290
    167 H81         4.8024   -5.0593   -1.5505 H       1   UNK         0.0290
    168 H82        -4.4374   -9.2027    0.8832 H       1   UNK         0.0290
    169 H83        -3.9292   -8.7295   -0.7217 H       1   UNK         0.0290
    170 H84        -2.7513   -4.9737    2.8192 H       1   UNK         0.0290
    171 H85        -2.7084   -3.4504    1.9514 H       1   UNK         0.0290
    172 H86         0.8918   -2.6779    0.7982 H       1   UNK         0.0560
    173 H87         1.3494   -1.9805   -0.7458 H       1   UNK         0.0560
    174 H88         7.7041   -0.8457    0.5522 H       1   UNK         0.0296
    175 H89         5.5157   -7.7468   -2.7350 H       1   UNK         0.0296
    176 H90        -2.0483  -10.3734   -0.5459 H       1   UNK         0.0296
    177 H91        -4.9154   -4.1895    3.8612 H       1   UNK         0.0296
    178 H92         7.8279   -3.8878    2.4284 H       1   UNK         0.0321
    179 H93        -4.6167   -1.8337   -3.3159 H       1   UNK         0.0318
    180 H94        -4.0286    3.3681    1.2678 H       1   UNK         0.0327
    181 H95         2.3623   -9.7462    0.1142 H       1   UNK         0.0640
    182 H96        -0.1917   -6.3662   -1.9256 H       1   UNK         0.0639
    183 H97        -0.4482    1.6402    1.3913 H       1   UNK         0.0642
    184 H98         4.9883   -0.6922    1.2926 H       1   UNK         0.0598
    185 H99         5.7271   -7.3052   -0.2531 H       1   UNK         0.0598
    186 H100       -2.1484   -8.7795    1.5741 H       1   UNK         0.0597
    187 H101       -5.2004   -5.0708    1.8001 H       1   UNK         0.0597
    188 H102        5.1150   -4.8180    3.1975 H       1   UNK         0.0644
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    194 H108        3.2239   -7.3660    1.5801 H       1   UNK         0.2935
    195 H109        7.1485   -2.6032   -0.2312 H       1   UNK         0.2935
    196 H110       -3.3290    1.8124    1.7135 H       1   UNK         0.2935
@<TRIPOS>BOND
     1    25     1    1
     2    26     2    1
     3    27    25    2
     4    28    27    1
     5    34     3    1
     6    34     4    1
     7    29    34    1
     8    35     5    1
     9    35     6    1
    10    30    35    1
    11    36     7    1
    12    36     8    1
    13    31    36    1
    14    37     9    1
    15    37    10    1
    16    32    37    1
    17    38    11    1
    18    38    12    1
    19    39    13    1
    20    39    14    1
    21    40    15    1
    22    40    28    1
    23    41    16    1
    24    42    17    1
    25    43    26    1
    26    44    29    1
    27    45    30    1
    28    46    31    1
    29    47    32    1
    30    33    48    1
    31    49    38    1
    32    50    39    1
    33    52    40    1
    34    51    52    1
    35    41    53    1
    36    45    54    1
    37    44    55    1
    38    51    56    1
    39    42    57    1
    40    43    58    1
    41    46    59    1
    42    47    60    1
    43    49    61    1
    44    50    62    1
    45    63    41    1
    46    54    63    2
    47    64    42    1
    48    53    64    2
    49    65    43    1
    50    56    65    2
    51    66    49    1
    52    55    66    2
    53    67    18    1
    54    67    33    1
    55    58    67   am
    56    68    19    1
    57    68    44    1
    58    48    68   am
    59    69    20    1
    60    69    45    1
    61    61    69   am
    62    70    21    1
    63    70    46    1
    64    57    70   am
    65    71    22    1
    66    71    47    1
    67    59    71   am
    68    72    23    1
    69    72    50    1
    70    60    72   am
    71    73    24    1
    72    73    51    1
    73    73    62   am
    74    48    74    2
    75    52    75    1
    76    53    76    1
    77    54    77    1
    78    55    78    1
    79    56    79    1
    80    57    80    2
    81    58    81    2
    82    59    82    2
    83    60    83    2
    84    61    84    2
    85    62    85    2
    86     1    86    1
    87     1    87    1
    88     1    88    1
    89     2    89    1
    90     2    90    1
    91     2    91    1
    92     3    92    1
    93     3    93    1
    94     3    94    1
    95     4    95    1
    96     4    96    1
    97     4    97    1
    98     5    98    1
    99     5    99    1
   100     5   100    1
   101     6   101    1
   102     6   102    1
   103     6   103    1
   104     7   104    1
   105     7   105    1
   106     7   106    1
   107     8   107    1
   108     8   108    1
   109     8   109    1
   110     9   110    1
   111     9   111    1
   112     9   112    1
   113    10   113    1
   114    10   114    1
   115    10   115    1
   116    11   116    1
   117    11   117    1
   118    11   118    1
   119    12   119    1
   120    12   120    1
   121    12   121    1
   122    13   122    1
   123    13   123    1
   124    13   124    1
   125    14   125    1
   126    14   126    1
   127    14   127    1
   128    15   128    1
   129    15   129    1
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