REMARK  Name = BDB028736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.253  -0.573   0.553  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.688   0.510  -0.308  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.271  -0.057  -1.392  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.384  -0.815  -0.806  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.644  -0.723  -1.375  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.852  -0.073  -2.399  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.073  -1.568   0.417  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -0.436  -1.809   0.604  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.771   0.134   2.323  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -1.441  -0.079   1.877  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -0.362   0.196   2.647  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -0.601   0.667   3.896  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -1.868   0.871   4.421  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -2.071   1.451   6.024  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -2.970   0.585   3.627  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -3.874  -0.293   1.551  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -3.579  -0.395   0.578  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.693   0.297   1.649  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.834   1.289  -0.945  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.735   0.674  -1.833  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -3.789   1.399  -2.393  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.955   2.743  -2.068  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -5.257   3.634  -2.754  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -3.077   3.368  -1.187  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.022   2.644  -0.625  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.761  -1.474  -0.676  0.00  0.00    +0.107 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.116  -1.198  -1.319  0.00  0.00    +0.129 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.205  -1.938  -0.601  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        6.082  -2.692   0.349  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.420  -1.690  -1.128  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        8.036  -2.223  -0.584  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7