REMARK  Name = BDB063232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.584  -0.619  -0.811  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.650  -0.500   0.159  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.639  -0.619  -0.208  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.971  -0.892  -1.519  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1        0.028  -1.006  -2.469  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.268  -0.860  -2.101  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.074  -0.583  -1.308  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       -2.965  -0.480  -0.462  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.470  -0.207   0.812  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -4.851  -0.160   0.646  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.686   0.099   1.744  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -5.111   0.309   3.001  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.729   0.262   3.160  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.883   0.004   2.074  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -5.202  -0.390  -0.650  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -3.853   0.386  -3.603  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -4.053  -0.875  -2.777  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.581  -0.508   0.818  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.101  -0.379   1.704  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.898  -0.018   0.835  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.453   0.759  -0.188  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.784   1.196  -0.128  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.589   0.851   0.956  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1        5.042   0.085   1.986  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.714  -0.347   1.923  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        6.893   1.212   1.141  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1        7.580   1.712   0.006  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1        8.889   1.825   0.343  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.139   2.965  -0.266  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 6