REMARK  Name = BDB064301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270   1.306  -1.788  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.154   2.384  -2.594  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.877   2.809  -3.145  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.146   2.769  -2.627  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.656   3.672  -3.260  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.790   1.802  -1.699  0.00  0.00    +0.131 C 
ATOM      7  C   LIG    1        3.100   1.857  -1.432  0.00  0.00    +0.061 C 
ATOM      8  N   LIG    1        0.840   0.920  -1.239  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.857   0.983  -0.524  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        3.176   0.363   0.462  0.00  0.00    -0.238 NA
ATOM     11  C   LIG    1        3.936  -0.408   1.262  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        5.311  -0.603   1.183  0.00  0.00    +0.097 A 
ATOM     13  N   LIG    1        5.843  -1.450   2.141  0.00  0.00    -0.246 NA
ATOM     14  C   LIG    1        4.869  -1.875   2.916  0.00  0.00    +0.158 A 
ATOM     15  C   LIG    1        5.991   0.072   0.159  0.00  0.00    +0.032 A 
ATOM     16  S   LIG    1        3.289  -1.301   2.562  0.00  0.00    -0.056 S 
ATOM     17  C   LIG    1        5.239   0.878  -0.700  0.00  0.00    +0.030 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.495   0.740  -1.623  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -2.283   1.369  -1.743  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.738  -0.234  -0.545  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.888   0.530   0.784  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.237   2.066   1.960  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -3.074   1.338   0.750  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.973  -1.064  -0.960  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.399  -2.253  -0.073  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -2.227  -3.113   0.394  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.283  -1.843   1.105  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7