REMARK  Name = BDB054933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.058   0.075   0.321  0.00  0.00    +0.186 A 
ATOM      2  C   LIG    1        3.893  -1.184   0.326  0.00  0.00    +0.293 A 
ATOM      3  O   LIG    1        5.063  -1.122  -0.059  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1        3.297  -2.362   0.770  0.00  0.00    -0.308 N 
ATOM      5  C   LIG    1        4.098  -3.576   0.779  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.942  -2.405   1.208  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        1.184  -1.229   1.194  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.156  -1.244   1.616  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.773  -2.423   2.042  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.001  -3.588   2.078  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        1.336  -3.584   1.661  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.784   0.023   0.740  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1       -2.108  -2.459   2.482  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.411  -3.378   2.791  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.220  -1.696   2.039  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -4.390  -1.721   2.793  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1       -4.572  -2.666   4.219  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1       -5.430  -0.948   2.335  0.00  0.00    +0.138 A 
ATOM     19  N   LIG    1       -5.364  -0.206   1.216  0.00  0.00    -0.217 NA
ATOM     20  C   LIG    1       -4.203  -0.236   0.522  0.00  0.00    +0.253 A 
ATOM     21  N   LIG    1       -3.122  -0.950   0.914  0.00  0.00    -0.194 NA
BRANCH  20  22
ATOM     22  N   LIG    1       -4.135   0.526  -0.708  0.00  0.00    -0.202 N 
ATOM     23  C   LIG    1       -3.094   0.608  -1.632  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1       -1.806  -0.119  -1.528  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -3.517   1.475  -2.619  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.814   1.867  -2.247  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -5.731   2.789  -2.959  0.00  0.00    +0.067 C 
ATOM     28  N   LIG    1       -5.195   1.295  -1.105  0.00  0.00    -0.169 NA
ENDBRANCH  20  22
ENDBRANCH  13  15
ENDBRANCH   9  13
BRANCH   1  29
ATOM     29  O   LIG    1        3.712   1.204  -0.132  0.00  0.00    -0.477 OA
BRANCH  29  30
ATOM     30  C   LIG    1        3.010   2.441  -0.160  0.00  0.00    +0.324 C 
BRANCH  30  34
ATOM     31  C   LIG    1        6.214   4.115  -1.353  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        5.245   3.227  -0.768  0.00  0.00    -0.316 N 
ATOM     33  H   LIG    1        5.474   2.240  -0.667  0.00  0.00    +0.148 HD
ATOM     34  C   LIG    1        3.909   3.556  -0.694  0.00  0.00    +0.250 C 
ATOM     35  O   LIG    1        3.461   4.658  -1.004  0.00  0.00    -0.272 OA
ENDBRANCH  30  34
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 6