REMARK  Name = BDB019992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.614   1.198   0.247  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.589   0.801   0.853  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.613  -0.266   1.759  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.577  -0.930   2.084  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.791  -0.552   1.495  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.795   0.518   0.585  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.981   0.758  -2.697  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -0.800   2.125  -2.097  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.634   2.308  -0.714  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.471   3.626  -0.259  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.482   4.688  -1.156  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.654   4.405  -2.497  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -0.810   3.157  -2.984  0.00  0.00    -0.260 NA
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        1.871  -0.716   2.418  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.042  -0.456   1.751  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1        3.038  -0.174   0.777  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.829  -1.312   3.488  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.313  -0.955   2.249  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.482  -0.547   1.375  0.00  0.00    +0.146 A 
ATOM     20  N   LIG    1        5.213  -0.117   0.116  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        6.279   0.222  -0.645  0.00  0.00    +0.134 A 
ATOM     22  C   LIG    1        7.581   0.145  -0.211  0.00  0.00    +0.077 A 
ATOM     23 CL   LIG    1        8.901   0.584  -1.203  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        7.749  -0.310   1.076  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        6.725  -0.664   1.887  0.00  0.00    -0.237 NA
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  26
ATOM     26  C   LIG    1       -3.072  -1.281   1.841  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.670  -1.887   0.670  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -4.733  -1.360  -0.074  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -5.434  -0.302   0.123  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -5.126   0.170   0.971  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -4.881  -2.252  -1.139  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -5.813  -2.042  -2.217  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -3.925  -3.250  -1.060  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -3.191  -3.034   0.040  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6