REMARK  Name = BDB058481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511  -0.501  -0.166  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.829  -0.236  -0.515  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.369   0.989  -0.176  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.650   1.514  -0.404  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.729   2.799   0.180  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.456   3.060   0.727  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.080   4.244   1.442  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.711   3.524   0.217  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.633   1.947   0.518  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.667   1.717   0.902  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.228   0.477   0.563  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.034  -1.778  -0.475  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.476  -2.267  -1.169  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.649  -1.943  -0.184  0.00  0.00    +0.253 A 
ATOM     15  N   LIG    1        3.394  -1.440  -0.198  0.00  0.00    -0.194 NA
ATOM     16  C   LIG    1        2.368  -2.259  -0.494  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        2.594  -3.606  -0.771  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.330  -4.707  -1.161  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.903  -4.035  -0.740  0.00  0.00    +0.138 A 
ATOM     20  N   LIG    1        4.948  -3.234  -0.454  0.00  0.00    -0.217 NA
BRANCH  14  24
ATOM     21  C   LIG    1        6.954   2.159   1.062  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        6.771   0.734   0.695  0.00  0.00    +0.060 A 
ATOM     23  N   LIG    1        5.545   0.258   0.453  0.00  0.00    -0.169 NA
ATOM     24  N   LIG    1        5.734  -1.058   0.145  0.00  0.00    -0.205 N 
ATOM     25  C   LIG    1        7.073  -1.395   0.203  0.00  0.00    +0.118 A 
ATOM     26  C   LIG    1        7.761  -0.260   0.552  0.00  0.00    +0.044 A 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.758   0.819  -1.012  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.585   0.066   0.035  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.812  -0.664  -0.539  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -6.654  -1.247   0.601  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -5.418  -1.779  -1.509  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.626   0.261  -1.260  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -6.882   0.979  -0.653  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7