REMARK  Name = BDB003323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.026  -1.492  -0.782  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.798  -0.755   0.111  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.201  -0.807   0.043  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.987  -0.059   0.939  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.413   0.726   1.954  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.011   0.741   2.070  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.901  -1.627  -1.009  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.976  -2.685  -1.583  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.234   0.001   1.155  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.658  -2.033  -1.971  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.963   0.516  -1.476  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -1.689   0.177  -1.168  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1       -1.379  -1.148  -1.113  0.00  0.00    +0.153 A 
ATOM     14  C   LIG    1       -2.325  -2.181  -1.361  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -3.635  -1.762  -1.683  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -4.615  -2.733  -1.935  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.295  -4.081  -1.861  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.998  -4.416  -1.537  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.028  -3.509  -1.295  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1       -3.957  -0.404  -1.744  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -2.262   4.218  -1.139  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -2.205   2.782  -1.134  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -1.329   2.304  -0.933  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.264   1.983  -1.507  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -4.367   2.399  -1.841  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1        3.295   1.473   2.853  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        3.421   2.852   2.822  0.00  0.00    +0.122 A 
ATOM     28  N   LIG    1        4.235   3.559   3.636  0.00  0.00    -0.243 NA
ATOM     29  C   LIG    1        4.951   2.840   4.513  0.00  0.00    +0.221 A 
ATOM     30  N   LIG    1        4.926   1.506   4.641  0.00  0.00    -0.243 NA
ATOM     31  C   LIG    1        4.096   0.854   3.799  0.00  0.00    +0.122 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        0.306   1.541   3.141  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -1.027   1.266   3.240  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        0.384   2.882   2.914  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4