REMARK  Name = BDB014524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.638   1.931  -2.357  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.363   1.786  -1.829  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.307   1.606  -0.836  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.893   1.754  -3.545  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.697   2.350  -1.324  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.009   1.862  -1.576  0.00  0.00    -0.482 OA
BRANCH   6  12
ATOM      7  C   LIG    1        5.274   0.217   3.542  0.00  0.00    +0.172 C 
ATOM      8  N   LIG    1        4.945  -0.069   2.164  0.00  0.00    -0.273 N 
ATOM      9  N   LIG    1        4.884  -1.357   1.764  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1        4.584  -1.295   0.455  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1        4.426   0.087   0.071  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1        4.113   0.549  -1.208  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1        4.000  -0.493  -2.143  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.144  -1.873  -1.797  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.432  -2.326  -0.489  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        4.671   0.843   1.183  0.00  0.00    +0.120 A 
ENDBRANCH   6  12
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.713   1.275  -2.663  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.120   1.604  -2.135  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.091   1.230  -3.122  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -3.119   0.253  -3.087  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.474   0.907  -0.801  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.560  -0.559  -0.983  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.931  -1.061  -0.754  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.349  -1.126   0.697  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -3.390  -1.230   1.717  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -3.801  -1.325   3.054  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.157  -1.337   3.374  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.108  -1.252   2.365  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.921  -1.182   1.389  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.709  -1.151   1.031  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.631  -1.299  -0.115  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8