REMARK  Name = BDB008651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.669  -0.627   0.902  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        1.250  -0.142  -0.345  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        0.305   0.882  -0.452  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.247   1.462   0.697  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        0.193   0.992   1.947  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.135  -0.042   2.049  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.293   2.566   0.642  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -1.524   3.247  -0.714  0.00  0.00    +0.033 C 
BRANCH   7   9
ATOM      9  N   LIG    1       -2.570   2.232   1.331  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1       -3.399   1.122   1.116  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -4.448   0.995   1.766  0.00  0.00    -0.273 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -2.974   0.003   0.138  0.00  0.00    +0.217 C 
ATOM     13  O   LIG    1       -2.797   0.483  -1.197  0.00  0.00    -0.365 OA
ATOM     14  C   LIG    1       -2.973  -0.518  -2.207  0.00  0.00    +0.176 C 
ATOM     15  C   LIG    1       -2.679  -1.938  -1.707  0.00  0.00    +0.109 C 
ATOM     16  N   LIG    1       -3.589  -2.339  -0.622  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -3.112  -3.016  -0.027  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.994  -1.164   0.184  0.00  0.00    +0.122 C 
ENDBRANCH  10  12
BRANCH   9  19
ATOM     19  C   LIG    1       -2.986   3.153   2.384  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -2.861   4.654   2.316  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.209   4.018   2.196  0.00  0.00    +0.024 C 
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  O   LIG    1        2.565  -1.659   0.875  0.00  0.00    -0.489 OA
BRANCH  22  24
ATOM     23  C   LIG    1        2.380  -3.179   2.750  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        3.186  -2.074   2.089  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   2  25
ATOM     25  O   LIG    1        1.704  -0.722  -1.505  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.870  -0.030  -1.976  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.513  -0.868  -3.077  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.147  -2.141  -2.528  0.00  0.00    +0.163 C 
BRANCH  28  29
ATOM     29  O   LIG    1        5.293  -1.791  -1.750  0.00  0.00    -0.383 OA
ATOM     30  C   LIG    1        5.899  -2.941  -1.174  0.00  0.00    +0.193 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 11