REMARK  Name = BDB012508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.327  -0.518   0.515  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.322  -0.226  -0.567  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        0.921  -0.492   0.179  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.725  -0.839   1.476  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.979  -1.048   2.059  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.933  -0.811   1.064  0.00  0.00    +0.053 A 
ATOM      7  N   LIG    1        2.244  -0.465  -0.096  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1        2.692  -0.227  -0.979  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -0.685  -0.862   1.749  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -1.172  -1.147   2.832  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -5.065  -0.106  -2.741  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.588  -0.308  -1.326  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -5.496  -0.486  -0.236  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -4.969  -0.673   1.027  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -6.063  -0.818   1.853  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -7.165  -0.723   1.136  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -5.979  -1.044   3.313  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -3.606  -0.691   1.301  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -2.708  -0.520   0.308  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -6.809  -0.515  -0.175  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -3.261  -0.332  -1.046  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   6  22
ATOM     22  C   LIG    1        4.364  -0.851   1.021  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        5.150  -0.574  -0.255  0.00  0.00    +0.260 A 
ATOM     24  O   LIG    1        4.559  -0.305  -1.304  0.00  0.00    -0.267 OA
ATOM     25  N   LIG    1        6.543  -0.643  -0.157  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1        7.356  -0.388  -1.337  0.00  0.00    +0.152 C 
ATOM     27  C   LIG    1        7.187  -0.949   1.026  0.00  0.00    +0.089 A 
ATOM     28  C   LIG    1        6.499  -1.194   2.144  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        5.060  -1.142   2.136  0.00  0.00    +0.017 A 
ENDBRANCH   6  22
BRANCH   2  30
ATOM     30  C   LIG    1       -0.358   1.192  -1.110  0.00  0.00    -0.021 A 
ATOM     31  C   LIG    1       -0.651   2.299  -0.293  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.659   3.593  -0.820  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -0.364   3.795  -2.165  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -0.372   5.388  -2.814  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1       -0.056   2.715  -2.988  0.00  0.00    +0.020 A 
ATOM     36  C   LIG    1       -0.049   1.420  -2.463  0.00  0.00    +0.007 A 
ENDBRANCH   2  30
TORSDOF 3