REMARK  Name = BDB030322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070   0.493   1.971  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.880   0.508   3.160  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -1.795   0.618   2.825  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.280  -0.166   2.305  0.00  0.00    +0.140 C 
BRANCH   4   7
ATOM      5  O   LIG    1        2.361   1.778   0.703  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        2.691   0.617   0.462  0.00  0.00    +0.247 C 
ATOM      7  N   LIG    1        2.132  -0.461   1.145  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        2.641  -1.817   1.012  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1        4.065  -1.864   1.528  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        5.086  -1.509   0.453  0.00  0.00    +0.037 C 
ATOM     11  C   LIG    1        4.720  -0.543  -0.651  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1        5.568  -0.576  -1.783  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.377   0.271  -2.875  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.337   1.186  -2.860  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.494   1.248  -1.751  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.667   0.390  -0.644  0.00  0.00    +0.040 A 
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.843  -0.271   0.873  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.236   0.226   0.737  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.033  -0.753  -0.034  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.430  -0.274  -0.369  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.741   1.097  -0.369  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.032   1.518  -0.714  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.002   0.587  -1.082  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.692  -0.771  -1.103  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.706   2.102   0.064  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -5.412  -1.200  -0.751  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.281   1.529   0.047  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5