REMARK  Name = BDB050645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.717  -1.634   0.905  0.00  0.00    -0.320 N 
ATOM      2  C   LIG    1        1.828  -3.009   0.959  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.519  -3.454   1.077  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.256  -4.830   1.139  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        1.330  -5.726   1.085  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.640  -5.258   0.973  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -0.352  -2.402   1.121  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.919  -3.888   0.907  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.380  -1.300   1.047  0.00  0.00    +0.198 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -0.167   0.056   1.154  0.00  0.00    +0.282 C 
ATOM     11  N   LIG    1       -1.420   0.362   0.576  0.00  0.00    -0.291 N 
ATOM     12  O   LIG    1        0.480   0.941   1.718  0.00  0.00    -0.267 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -1.976   1.726   0.716  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1       -1.077   2.866   0.168  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -1.728   4.184   0.257  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1       -2.584   4.174  -0.298  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -2.068   4.486   1.651  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1       -3.003   3.437   2.253  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -2.412   2.031   2.157  0.00  0.00    +0.025 C 
ENDBRANCH  11  13
BRANCH  11  20
ATOM     20  C   LIG    1       -2.312  -0.652  -0.010  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.890  -1.117  -1.417  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -2.023   0.003  -2.450  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -2.736  -2.319  -1.840  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   9  10
BRANCH   1  24
ATOM     24  C   LIG    1        2.838  -0.731   0.706  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.408  -0.748  -0.717  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.461  -0.237  -1.810  0.00  0.00    +0.030 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.048   1.224  -1.658  0.00  0.00    +0.159 C 
BRANCH  27  29
ATOM     28  C   LIG    1        2.874   3.404  -1.344  0.00  0.00    +0.193 C 
ATOM     29  O   LIG    1        3.212   2.040  -1.566  0.00  0.00    -0.383 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 9