REMARK  Name = BDB015213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.905   1.154   0.696  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -1.541   1.095   1.037  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -1.067   1.672   2.217  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.946   2.283   3.105  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -3.299   2.363   2.788  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.771   1.811   1.592  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -7.244  -1.644  -1.633  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1       -6.056  -1.294  -2.375  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -4.959  -0.616  -1.903  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -4.094  -0.526  -2.988  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.866   0.111  -2.820  0.00  0.00    +0.123 A 
ATOM     12  N   LIG    1       -2.530   0.634  -1.614  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1       -3.389   0.547  -0.562  0.00  0.00    +0.073 A 
ATOM     14  C   LIG    1       -4.774  -1.165  -4.044  0.00  0.00    +0.144 A 
ATOM     15  C   LIG    1       -4.634  -0.080  -0.655  0.00  0.00    +0.056 A 
ATOM     16  N   LIG    1       -5.971  -1.629  -3.679  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1        0.249   1.600   2.584  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.104   2.269   1.641  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.557   2.256   2.145  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.662   3.068   3.326  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        3.584   3.029   3.630  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.075   0.830   2.446  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.094  -0.078   1.284  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.131   0.303   0.306  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.320  -0.701  -0.813  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.868  -2.025  -0.683  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        4.078  -2.940  -1.723  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.758  -2.551  -2.876  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.227  -1.246  -3.001  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.104  -2.438   0.548  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.011  -0.325  -1.975  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.310  -1.467   1.718  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7