REMARK  Name = BDB021516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.463   1.679   0.160  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.024   1.184  -0.853  0.00  0.00    +0.253 C 
ATOM      3  N   LIG    1        0.578   1.316  -2.101  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.129   0.984  -3.330  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.424   1.782  -3.386  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -2.526   1.122  -2.773  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.372   0.445  -1.599  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -3.524  -0.308  -1.294  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.608  -1.112  -0.150  0.00  0.00    -0.027 A 
ATOM     10  C   LIG    1       -2.501  -1.170   0.696  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -1.362  -0.420   0.410  0.00  0.00    +0.139 A 
ATOM     12  F   LIG    1       -0.321  -0.551   1.248  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.280   0.405  -0.725  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   3  14
ATOM     14  C   LIG    1        1.847   2.063  -2.213  0.00  0.00    +0.140 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.091   1.150  -2.274  0.00  0.00    +0.146 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.860   0.071  -3.196  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1        2.139  -0.454  -2.805  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1        3.506   0.576  -0.901  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.987   1.604   0.035  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        3.844   1.170   1.438  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        4.891   0.180   1.903  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        6.146   0.106   1.272  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1        7.112  -0.789   1.750  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.843  -1.592   2.858  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.606  -1.509   3.494  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.433   0.940   0.048  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        4.636  -0.625   3.022  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.375   2.027  -0.203  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH   3  14
BRANCH   9  29
ATOM     29  C   LIG    1       -4.855  -1.917   0.145  0.00  0.00    +0.120 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.402  -1.657   1.484  0.00  0.00    -0.294 NA
ATOM     31  C   LIG    1       -5.978  -0.298   1.621  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -7.323  -0.108   0.900  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -8.284  -1.085   1.318  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -7.790  -2.413   1.108  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -6.454  -2.636   1.837  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH   9  29
TORSDOF 7