REMARK  Name = BDB003350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.420  -1.941  -0.561  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.422  -1.031   0.123  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.752  -1.363   0.449  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.569  -0.457   1.152  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.098   0.805   1.532  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        0.787   1.171   1.202  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        2.326  -2.712   0.105  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        1.546  -3.362  -1.019  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.031   0.239   0.526  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.059  -3.325  -0.694  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.171  -0.192  -2.230  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -1.957  -0.461  -1.669  0.00  0.00    -0.223 NA
ATOM     13  C   LIG    1       -1.694  -1.685  -1.113  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -2.765  -2.606  -1.161  0.00  0.00    +0.175 A 
ATOM     15  C   LIG    1       -4.008  -2.338  -1.732  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -4.786  -3.516  -1.567  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.989  -4.418  -0.905  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1       -2.770  -3.879  -0.652  0.00  0.00    -0.459 OA
ATOM     19  C   LIG    1       -4.233  -1.082  -2.299  0.00  0.00    +0.044 A 
BRANCH  11  23
ATOM     20  C   LIG    1       -2.165   3.364  -3.062  0.00  0.00    +0.128 C 
ATOM     21  N   LIG    1       -2.227   1.995  -2.627  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1       -1.430   1.573  -2.154  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.332   1.190  -2.792  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -4.370   1.538  -3.342  0.00  0.00    -0.269 OA
ENDBRANCH  11  23
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  C   LIG    1        2.998   1.683   2.250  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        2.771   2.176   3.517  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        3.865   2.929   3.832  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        4.094   3.659   5.055  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        4.795   2.955   2.859  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        4.273   2.181   1.904  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1        0.211   2.518   1.557  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1       -0.859   2.863   0.779  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -0.243   2.571   2.841  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 4