REMARK  Name = BDB063526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.874  -3.376  -2.256  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        0.485  -2.800  -1.244  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        1.169  -1.774  -0.640  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.767  -1.426   0.228  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.424  -1.262  -1.119  0.00  0.00    +0.139 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.614   0.160  -0.663  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        2.130   1.222  -1.441  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.263   2.539  -1.001  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.873   2.808   0.223  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.348   1.759   1.009  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.216   0.441   0.571  0.00  0.00    +0.005 A 
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  12
ATOM     12  C   LIG    1       -0.803  -3.201  -0.511  0.00  0.00    +0.177 C 
BRANCH  12  13
ATOM     13  N   LIG    1       -1.261  -2.143   0.418  0.00  0.00    -0.304 NA
ATOM     14  H   LIG    1       -1.921  -2.551   1.081  0.00  0.00    +0.123 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.959  -1.072  -0.302  0.00  0.00    +0.116 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.312   0.049   0.645  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1       -3.588   0.128   1.220  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.901   1.159   2.107  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.942   2.116   2.434  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.667   2.042   1.877  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.352   1.013   0.989  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 6