REMARK  Name = BDB003162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.788  -1.790   0.503  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1        0.535  -1.302   0.822  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.561  -2.258   1.028  0.00  0.00    +0.127 C 
ATOM      4  C   LIG    1       -1.911  -1.725   0.508  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -2.233  -0.372   1.032  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -1.149   0.294   1.774  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        0.204   0.111   1.067  0.00  0.00    +0.127 C 
ATOM      8  O   LIG    1        2.044  -2.991   0.449  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.139   0.361   0.260  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.925   1.692  -0.127  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.860   2.394  -0.900  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.040   1.779  -1.302  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.284   0.464  -0.929  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.345  -0.231  -0.159  0.00  0.00    +0.023 A 
ENDBRANCH   5   9
BRANCH   1  16
ATOM     15  C   LIG    1        4.125  -1.188   0.162  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1        2.845  -0.789   0.210  0.00  0.00    +0.074 C 
BRANCH  15  17
ATOM     17  C   LIG    1        5.256  -0.293  -0.139  0.00  0.00    +0.332 C 
ATOM     18  O   LIG    1        6.410  -0.692  -0.176  0.00  0.00    -0.246 OA
BRANCH  17  20
ATOM     19  C   LIG    1        5.910   1.885  -0.654  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        4.846   0.981  -0.354  0.00  0.00    -0.465 OA
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  16
TORSDOF 4