REMARK  Name = BDB034754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658  -4.829  -0.185  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.315  -3.438  -0.253  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.208  -2.374  -0.084  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.489  -1.184  -0.200  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.099   0.047  -0.065  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.480   0.081   0.200  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -3.194  -1.137   0.302  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        0.850  -1.516  -0.450  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1       -2.562  -2.381   0.166  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.978  -2.923  -0.475  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.009  -3.552  -0.648  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.110   1.339   0.305  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.490   2.056   0.680  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.442   1.743   0.061  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.031   2.801   0.778  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -6.359   3.113   0.513  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -7.208   4.381   1.313  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -7.130   2.468  -0.391  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.551   1.460  -1.068  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.237   1.067  -0.875  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.291   3.535   1.754  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -3.644   4.114   2.524  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1        1.950  -0.597  -0.621  0.00  0.00    +0.148 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.825  -0.437   0.654  0.00  0.00    +0.102 C 
ATOM     25  N   LIG    1        4.107   0.282   0.468  0.00  0.00    -0.285 NA
ATOM     26  C   LIG    1        4.038   1.725   0.723  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1        2.620   2.323   0.704  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1        1.634   1.592   1.440  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1        2.044   0.264   1.788  0.00  0.00    +0.180 C 
BRANCH  25  30
ATOM     30  C   LIG    1        4.936  -0.141  -0.675  0.00  0.00    +0.198 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.447   0.181  -0.635  0.00  0.00    +0.402 C 
ATOM     32  F   LIG    1        7.038  -0.299   0.481  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        7.072  -0.377  -1.699  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1        6.681   1.512  -0.692  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7