REMARK  Name = BDB036201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.019  -0.136  -1.219  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        0.978  -0.532  -0.246  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.202   0.470  -0.194  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.801   0.840  -1.497  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.209   0.824  -2.582  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.665   0.998  -2.095  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.995  -0.203   0.015  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.178   0.667   0.663  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        3.887   0.684   0.257  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        2.965   1.845   1.137  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.341  -0.120  -0.761  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        4.239  -0.992  -1.392  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.577  -1.042  -1.006  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.007   0.725   2.102  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.723   0.681   1.457  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.937   1.199   1.844  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.425  -0.226   0.463  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.235  -1.004  -0.027  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.946  -0.012  -1.858  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.172   0.247  -1.014  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.871  -0.815  -0.433  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -3.436  -2.074  -0.603  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -5.018  -0.590   0.329  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -5.500   0.710   0.523  0.00  0.00    +0.090 A 
ATOM     25  N   LIG    1       -6.652   0.981   1.284  0.00  0.00    -0.245 NA
ATOM     26  C   LIG    1       -7.282  -0.025   1.820  0.00  0.00    +0.103 A 
ATOM     27  C   LIG    1       -6.832  -1.476   1.661  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -7.458  -2.385   2.184  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -8.517   0.206   2.641  0.00  0.00    +0.071 C 
ATOM     30  C   LIG    1       -4.814   1.775  -0.062  0.00  0.00    +0.030 A 
ATOM     31  N   LIG    1       -5.702  -1.666   0.908  0.00  0.00    -0.317 N 
ATOM     32  H   LIG    1       -5.368  -2.612   0.776  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.663   1.548  -0.826  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4