REMARK  Name = BDB017312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.362  -0.396   0.297  0.00  0.00    +0.143 C 
ATOM      2  N   LIG    1       -1.761  -0.896   0.158  0.00  0.00    -0.286 NA
ATOM      3  C   LIG    1       -2.478  -0.179  -0.913  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -2.433   1.355  -0.710  0.00  0.00    +0.100 C 
ATOM      5  N   LIG    1       -1.052   1.859  -0.606  0.00  0.00    -0.296 NA
ATOM      6  C   LIG    1       -0.363   1.147   0.490  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.880   3.309  -0.448  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1       -1.218   4.050  -1.764  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -1.788   5.177  -0.869  0.00  0.00    +0.003 C 
ATOM     10  C   LIG    1       -2.044   4.089   0.203  0.00  0.00    +0.019 C 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1        0.578  -0.799  -0.866  0.00  0.00    +0.181 C 
ATOM     12  O   LIG    1        0.233  -1.434  -1.863  0.00  0.00    -0.290 OA
BRANCH  11  18
ATOM     13  C   LIG    1        6.801   0.656   0.534  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        6.083   0.687  -0.666  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.730   0.317  -0.717  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.080  -0.090   0.470  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1        2.725  -0.460   0.426  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.017  -0.419  -0.781  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        2.667  -0.031  -1.956  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.809  -0.117   1.669  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.012   0.339  -1.922  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        6.158   0.253   1.702  0.00  0.00    +0.046 A 
BRANCH  13  24
ATOM     23  C   LIG    1        8.896   0.987   1.610  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        8.109   1.041   0.426  0.00  0.00    -0.495 OA
ENDBRANCH  13  24
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   2  25
ATOM     25  C   LIG    1       -1.855  -2.353   0.018  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.216  -2.885   0.426  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -3.998  -3.611  -0.481  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.247  -4.111  -0.102  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.731  -3.905   1.195  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -7.086  -4.412   1.589  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.957  -3.169   2.099  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.709  -2.670   1.720  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6