REMARK  Name = BDB014997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.595  -0.585  -2.486  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.499  -1.099  -3.474  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -3.368  -0.709  -3.230  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -2.320  -0.551  -1.123  0.00  0.00    +0.119 C 
BRANCH   4   8
ATOM      5  C   LIG    1       -6.884   0.062   0.712  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -5.800   0.547  -0.048  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -4.497  -0.230  -0.107  0.00  0.00    +0.123 C 
ATOM      8  N   LIG    1       -3.619   0.157  -1.237  0.00  0.00    -0.295 NA
ATOM      9  C   LIG    1       -3.442   1.618  -1.229  0.00  0.00    +0.089 C 
ATOM     10  C   LIG    1       -4.771   2.321  -1.529  0.00  0.00    +0.051 C 
ATOM     11  C   LIG    1       -5.914   1.789  -0.705  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -7.114   2.509  -0.632  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.185   2.017   0.109  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -8.068   0.803   0.789  0.00  0.00    +0.046 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -7.851  -1.854   1.733  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -6.681  -1.126   1.370  0.00  0.00    -0.495 OA
ENDBRANCH   5  16
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.338  -1.458  -2.441  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.620  -0.848  -1.574  0.00  0.00    -0.489 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.874  -1.398  -1.572  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.877  -0.575  -1.050  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        4.210  -1.008  -0.991  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.519  -2.298  -1.437  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.519  -3.129  -1.944  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.199  -2.679  -2.013  0.00  0.00    +0.045 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.292  -0.107  -0.448  0.00  0.00    +0.116 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.723  -0.547   0.876  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        4.921  -0.540   1.503  0.00  0.00    +0.123 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.798   0.277   1.412  0.00  0.00    +0.054 C 
ATOM     29  C   LIG    1        6.400   1.704   1.790  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        7.532   2.166   2.705  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        8.115   0.895   3.328  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        7.308  -0.265   2.748  0.00  0.00    +0.019 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10