REMARK  Name = BDB032790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.923  -0.221   2.295  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.420  -0.458   1.970  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.145   0.589   1.431  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.547   0.615   1.000  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -2.772   1.865   0.445  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.631   2.753   0.622  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.329  -0.305   1.140  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.599   1.849   1.204  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        0.723   2.103   1.520  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.483   1.059   2.063  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.086   2.383   0.080  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.890   2.785   1.326  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.377   3.205   2.362  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.260   2.770   1.188  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.786   3.083   1.993  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.987   2.528   0.050  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.198   2.729   0.019  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -6.214   2.101  -1.176  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.900   1.434  -0.799  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.789  -1.337   2.823  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.549  -1.820   1.714  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.085  -3.335   0.931  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        4.620  -4.152   1.196  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.371  -2.851   1.996  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.485  -3.359   3.107  0.00  0.00    -0.226 OA
BRANCH  22  30
ATOM     26  C   LIG    1        4.725  -1.887  -4.590  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        4.518  -2.233  -3.141  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        3.761  -1.413  -2.285  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        3.595  -1.760  -0.933  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.180  -2.915  -0.410  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        4.942  -3.720  -1.265  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        5.108  -3.388  -2.613  0.00  0.00    +0.006 A 
BRANCH  28  33
ATOM     33  C   LIG    1        3.155  -0.198  -2.757  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1        2.679   0.793  -3.133  0.00  0.00    -0.191 NA
ENDBRANCH  28  33
ENDBRANCH  22  30
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6