REMARK  Name = BDB052602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.661   1.381  -0.800  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.678   0.571  -0.245  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.444   0.933  -0.873  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.755   1.960  -1.750  0.00  0.00    +0.233 A 
ATOM      5  N   LIG    1        0.084   2.628  -2.551  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        1.334   2.178  -2.424  0.00  0.00    +0.227 A 
ATOM      7  N   LIG    1        1.780   1.188  -1.628  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        0.901   0.527  -0.833  0.00  0.00    +0.134 A 
ATOM      9  O   LIG    1       -2.086   2.225  -1.711  0.00  0.00    -0.436 OA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.894   1.874  -0.387  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.135   1.456   0.702  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.751   1.297   0.575  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.107   1.549  -0.645  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -4.889   1.976  -1.730  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -6.272   2.137  -1.604  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -1.921  -0.449   0.753  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.516  -0.238   2.078  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.732  -1.225   3.040  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.351  -2.423   2.682  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.755  -2.636   1.364  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.540  -1.652   0.399  0.00  0.00    +0.008 A 
ENDBRANCH   2  16
BRANCH   8  22
ATOM     22  N   LIG    1        1.344  -0.530  -0.046  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        0.704  -0.799   0.692  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.758  -0.568   0.313  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.574  -1.328  -0.733  0.00  0.00    +0.074 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.042  -1.277  -0.398  0.00  0.00    +0.043 A 
ATOM     27  N   LIG    1        5.487  -2.130   0.556  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1        6.801  -2.079   0.870  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.700  -1.206   0.283  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.226  -0.330  -0.686  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.878  -0.362  -1.033  0.00  0.00    +0.023 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6