REMARK  Name = BDB032397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.106  -1.171   2.142  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1        0.520  -2.250   1.471  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.498  -2.029   0.546  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1       -1.026  -3.086  -0.088  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -0.970  -0.744   0.271  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.375   0.338   0.937  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.646   0.125   1.867  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        2.204  -1.393   3.148  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1        3.357  -0.615   2.831  0.00  0.00    -0.372 OA
BRANCH   9  15
ATOM     10  C   LIG    1        7.257  -0.793  -2.489  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1        7.065  -0.553  -1.063  0.00  0.00    -0.304 NA
ATOM     12  C   LIG    1        5.870   0.309  -0.835  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1        5.432  -0.687   0.200  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1        3.980  -1.023   0.385  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1        4.295  -1.197   1.901  0.00  0.00    +0.120 C 
ATOM     16  C   LIG    1        5.592  -0.367   1.666  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        6.357  -1.700  -0.428  0.00  0.00    +0.092 C 
ENDBRANCH   9  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  18
ATOM     18  C   LIG    1       -2.054  -0.529  -0.756  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.103   0.321  -0.198  0.00  0.00    -0.339 N 
ATOM     20  H   LIG    1       -3.379  -0.005   0.726  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.242   0.651  -0.961  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -5.322   1.361  -0.344  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.468   1.702  -1.104  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -7.529   2.368  -0.449  0.00  0.00    +0.124 A 
ATOM     25  N   LIG    1       -7.503   2.733   0.844  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -6.392   2.434   1.538  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.499   1.384  -2.477  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.426   0.749  -3.090  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.306   1.763   1.005  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -4.307   0.397  -2.340  0.00  0.00    +0.023 A 
BRANCH  24  31
ATOM     31  N   LIG    1       -8.712   2.710  -1.116  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1       -9.309   3.142  -0.415  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1       -9.145   1.884  -1.512  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 7