REMARK  Name = BDB003153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099   0.498   0.117  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1       -0.018   0.497  -0.823  0.00  0.00    +0.087 C 
ATOM      3  C   LIG    1       -1.048  -0.361  -0.646  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -1.123  -1.325   0.528  0.00  0.00    +0.088 C 
ATOM      5  N   LIG    1        0.289  -1.595   1.030  0.00  0.00    -0.287 N 
ATOM      6  C   LIG    1        0.588  -2.849   1.564  0.00  0.00    +0.077 C 
ATOM      7  C   LIG    1       -0.172  -3.937   1.395  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1       -1.364  -3.850   0.598  0.00  0.00    -0.001 C 
ATOM      9  C   LIG    1       -1.908  -0.675   1.692  0.00  0.00    +0.042 C 
ATOM     10  C   LIG    1       -1.808  -2.652   0.186  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        1.234  -0.539   0.968  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.098   1.599   0.105  0.00  0.00    +0.342 C 
ATOM     13  O   LIG    1        3.306   1.443   0.040  0.00  0.00    -0.245 OA
BRANCH  12  15
ATOM     14  C   LIG    1        2.309   3.917   0.226  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        1.442   2.783   0.217  0.00  0.00    -0.464 OA
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1        0.020   1.447  -1.966  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1        0.967   1.548  -2.728  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -1.094   2.223  -1.953  0.00  0.00    -0.464 OA
ATOM     19  C   LIG    1       -1.128   3.188  -3.004  0.00  0.00    +0.280 C 
ENDBRANCH  16  18
ENDBRANCH   2  16
BRANCH   3  20
ATOM     20  C   LIG    1       -2.131  -0.369  -1.644  0.00  0.00    +0.338 C 
ATOM     21  O   LIG    1       -1.964  -0.593  -2.831  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -3.304  -0.064  -1.040  0.00  0.00    -0.465 OA
ATOM     23  C   LIG    1       -4.412   0.015  -1.939  0.00  0.00    +0.280 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
BRANCH  11  24
ATOM     24  C   LIG    1        2.402  -0.501   1.896  0.00  0.00    +0.354 C 
ATOM     25  O   LIG    1        2.433   0.182   2.909  0.00  0.00    -0.244 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.379  -1.316   1.427  0.00  0.00    -0.464 OA
ATOM     27  C   LIG    1        4.580  -1.271   2.196  0.00  0.00    +0.280 C 
ENDBRANCH  24  26
ENDBRANCH  11  24
TORSDOF 8