REMARK  Name = BDB025612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.263  -1.235  -0.392  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.635  -0.348  -0.592  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.968  -0.764   0.651  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.650  -1.144   0.837  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.251  -1.403   1.973  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -2.922  -0.853   1.749  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -4.222  -0.260   1.206  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -4.120  -0.534  -0.293  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -1.445   3.266  -0.156  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -1.662   1.849  -0.008  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -1.553   1.437   0.913  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -2.347   1.125  -0.962  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -2.728   1.609  -2.024  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -5.377  -0.883   1.735  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -5.398  -0.719   2.694  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.593  -0.734  -0.077  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.584  -1.530   0.354  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        3.670  -0.781   0.502  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.353   0.500   0.151  0.00  0.00    +0.119 A 
ATOM     20  C   LIG    1        2.034   0.555  -0.231  0.00  0.00    +0.140 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.356   1.690   0.181  0.00  0.00    +0.042 A 
ATOM     22  S   LIG    1        5.986   1.523   0.672  0.00  0.00    -0.075 S 
ATOM     23  C   LIG    1        6.282   3.166   0.408  0.00  0.00    +0.079 A 
ATOM     24 CL   LIG    1        7.843   3.814   0.709  0.00  0.00    -0.076 Cl
ATOM     25  C   LIG    1        5.186   3.854  -0.044  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.056   2.989  -0.178  0.00  0.00    +0.019 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1        0.159  -2.625  -1.079  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1        0.924  -2.658  -2.406  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        0.562  -3.818  -0.206  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6