REMARK  Name = BDB028752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.585  -0.897  -0.731  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1        1.840   0.205   0.262  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.049  -0.081   1.578  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1       -0.385  -0.243   1.315  0.00  0.00    -0.294 N 
ATOM      5  C   LIG    1       -1.300   0.449   2.094  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1       -0.989   1.159   3.046  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.690  -1.306   0.348  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        0.134  -1.160  -0.950  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        3.739  -2.080  -0.660  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        2.332  -2.068  -0.443  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1        1.682  -3.172  -0.006  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1        2.418  -4.267   0.305  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1        3.795  -4.328   0.199  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1        4.653  -5.746   0.643  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        4.466  -3.212  -0.276  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1        4.444  -0.929  -1.079  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1        5.307  -1.137  -1.571  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1        3.828  -0.326  -1.621  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1        1.546   1.575  -0.390  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        1.047   2.665   0.347  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        0.819   3.906  -0.257  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        1.104   4.086  -1.605  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.828   5.614  -2.343  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        1.616   3.035  -2.356  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.838   1.793  -1.752  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1       -2.731   0.379   1.742  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -3.170   0.877   0.510  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -4.534   0.843   0.203  0.00  0.00    +0.060 A 
ATOM     29  C   LIG    1       -5.444   0.321   1.133  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -4.999  -0.153   2.369  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.640  -0.117   2.680  0.00  0.00    +0.013 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -5.059   1.350  -1.087  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -6.229   1.387  -1.417  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.086   1.781  -1.908  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -4.567   2.095  -2.703  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH   5  26
TORSDOF 6