REMARK  Name = BDB018981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.245  -0.100  -0.140  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        2.172   0.063  -0.945  0.00  0.00    -0.254 NA
ATOM      3  C   LIG    1        0.964   0.210  -0.351  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.734   0.207   1.033  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.876   0.034   1.844  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.738   0.018   3.240  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        0.488   0.171   3.836  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.643   0.342   3.042  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.544   0.364   1.641  0.00  0.00    -0.009 A 
ATOM     10  C   LIG    1        3.136  -0.120   1.246  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.772   0.549   0.852  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -2.540  -0.565   0.467  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1       -3.682  -0.334  -0.272  0.00  0.00    +0.070 A 
ATOM     14  N   LIG    1       -4.622  -1.234  -0.787  0.00  0.00    -0.295 N 
ATOM     15  C   LIG    1       -5.620  -0.513  -1.480  0.00  0.00    +0.330 A 
ATOM     16  N   LIG    1       -5.263   0.850  -1.371  0.00  0.00    -0.295 N 
ATOM     17  C   LIG    1       -5.992   1.949  -1.933  0.00  0.00    +0.154 C 
ATOM     18  O   LIG    1       -6.593  -0.973  -2.055  0.00  0.00    -0.246 OA
ATOM     19  C   LIG    1       -4.573  -2.659  -0.642  0.00  0.00    +0.154 C 
ATOM     20  C   LIG    1       -4.078   0.955  -0.634  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -3.350   2.067  -0.272  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -2.188   1.854   0.478  0.00  0.00    +0.010 A 
ENDBRANCH   9  11
BRANCH   1  27
ATOM     23  C   LIG    1        8.072  -0.721  -1.203  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.646  -0.527  -1.295  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        6.073  -0.419  -2.505  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        4.777  -0.253  -2.221  0.00  0.00    +0.144 A 
ATOM     27  C   LIG    1        4.514  -0.253  -0.830  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        5.759  -0.434  -0.260  0.00  0.00    +0.118 A 
ENDBRANCH   1  27
TORSDOF 2