REMARK  Name = BDB036273
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.093  -0.757   1.618  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.404   0.294   0.708  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.356   1.091   0.291  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.886   2.031  -0.562  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.239   1.762  -0.632  0.00  0.00    +0.086 A 
ATOM      6  C   LIG    1        0.976   0.898   0.716  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.243  -0.070   1.550  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.543   0.675   0.159  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1        0.204  -0.873   1.974  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -3.688  -4.819   3.172  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.202  -3.457   2.849  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -3.946  -2.389   3.145  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -3.217  -1.336   2.711  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.747  -0.012   2.951  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -2.017  -1.707   2.144  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -1.988  -3.087   2.233  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.951   1.744   0.238  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.729   2.371  -0.526  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.369   1.508   0.405  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.963   1.009  -0.880  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.992  -0.338  -1.225  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.454  -1.524  -0.516  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.136  -2.627  -1.325  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        4.469  -2.110  -2.634  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        4.524  -0.754  -2.441  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.036   0.133  -3.366  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.016   1.489  -3.044  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.484   1.912  -1.818  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.462   3.226  -1.552  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -3.310   2.431  -1.446  0.00  0.00    +0.207 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.461   3.933  -1.094  0.00  0.00    +0.410 C 
ATOM     32  F   LIG    1       -2.337   4.646  -1.338  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1       -3.789   4.116   0.207  0.00  0.00    -0.169 F 
ATOM     34  F   LIG    1       -4.457   4.489  -1.833  0.00  0.00    -0.169 F 
ENDBRANCH  30  31
BRANCH  30  35
ATOM     35  N   LIG    1       -3.037   2.107  -2.875  0.00  0.00    -0.315 NA
ATOM     36  H   LIG    1       -3.083   1.092  -2.976  0.00  0.00    +0.119 HD
ATOM     37  H   LIG    1       -3.796   2.487  -3.441  0.00  0.00    +0.119 HD
ENDBRANCH  30  35
ENDBRANCH   5  30
TORSDOF 7