REMARK  Name = BDB012024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.526  -0.531  -0.167  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -3.072  -1.487  -0.979  0.00  0.00    -0.323 N 
ATOM      3  H   LIG    1       -3.971  -1.929  -0.880  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -2.179  -1.758  -1.972  0.00  0.00    +0.160 A 
ATOM      5  C   LIG    1       -1.092  -0.928  -1.730  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        0.027  -0.982  -2.604  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -0.117  -1.913  -3.666  0.00  0.00    +0.082 A 
ATOM      8  C   LIG    1       -1.277  -2.684  -3.788  0.00  0.00    +0.135 A 
ATOM      9 CL   LIG    1        1.100  -2.107  -4.884  0.00  0.00    -0.080 Cl
ATOM     10  N   LIG    1       -2.350  -2.651  -2.958  0.00  0.00    -0.234 NA
ATOM     11  N   LIG    1       -1.328  -0.177  -0.593  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -5.522  -1.131   1.268  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -4.459  -0.186   1.687  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.200   0.072   1.092  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -2.618   1.034   1.883  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -3.515   1.297   2.871  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -3.366   2.241   3.952  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -4.644   0.569   2.780  0.00  0.00    -0.176 NA
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1        1.209  -0.206  -2.466  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        1.037   1.161  -1.916  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        1.548   1.272  -0.463  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        2.992   0.965  -0.314  0.00  0.00    -0.292 NA
ATOM     23  C   LIG    1        3.417  -0.055  -1.304  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        2.289  -0.985  -1.810  0.00  0.00    +0.120 C 
BRANCH  22  25
ATOM     25  C   LIG    1        3.272   0.564   1.080  0.00  0.00    +0.164 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.735   0.637   1.401  0.00  0.00    +0.185 A 
ATOM     27  N   LIG    1        5.504  -0.458   1.512  0.00  0.00    -0.060 NA
ATOM     28  O   LIG    1        6.763   0.068   1.817  0.00  0.00    -0.341 OA
ATOM     29  C   LIG    1        6.609   1.415   1.874  0.00  0.00    +0.343 A 
ATOM     30  N   LIG    1        5.388   1.824   1.646  0.00  0.00    -0.198 NA
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   6  19
TORSDOF 4