REMARK  Name = BDB012344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711  -1.312   1.089  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.628  -0.581   1.860  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.543  -0.936   3.179  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.569  -1.835   3.236  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.019  -2.109   1.981  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.584   0.425   1.464  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.364   0.972   2.443  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.250   1.935   2.121  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.439   2.390   0.835  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.665   1.808  -0.165  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.712   0.831   0.143  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.793   2.234  -1.575  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        2.835   2.370  -2.314  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.073   2.405  -1.964  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.745   2.089  -1.332  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.622  -1.163  -0.239  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.390  -1.904  -0.930  0.00  0.00    +0.266 C 
BRANCH  17  23
ATOM     18  C   LIG    1       -5.696   0.510  -0.548  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -4.321  -0.087  -0.648  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1       -3.182   0.704  -0.862  0.00  0.00    +0.044 A 
ATOM     21 CL   LIG    1       -3.294   2.420  -1.026  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -1.915   0.119  -0.951  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -1.755  -1.267  -0.817  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -2.892  -2.059  -0.619  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.159  -1.476  -0.531  0.00  0.00    +0.005 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6