REMARK  Name = BDB015082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.430  -1.335  -0.770  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        2.049  -1.076  -0.737  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        1.108  -2.103  -0.869  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        1.547  -3.414  -1.042  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.915  -3.693  -1.077  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.847  -2.663  -0.941  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        8.883   2.901   1.521  0.00  0.00    +0.172 C 
ATOM      8  N   LIG    1        7.772   2.215   0.906  0.00  0.00    -0.273 N 
ATOM      9  N   LIG    1        7.177   2.770  -0.171  0.00  0.00    -0.171 NA
ATOM     10  C   LIG    1        6.198   1.910  -0.501  0.00  0.00    +0.093 A 
ATOM     11  C   LIG    1        6.216   0.800   0.414  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        5.368  -0.302   0.417  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.411  -0.242  -0.629  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1        4.372   0.861  -1.561  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.253   1.969  -1.535  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1        7.232   1.025   1.300  0.00  0.00    +0.116 A 
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1       -0.195  -1.691  -0.815  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.200  -2.701  -0.865  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.590  -2.052  -0.749  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.578  -3.078  -0.922  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -3.642  -3.573  -0.087  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.760  -1.328   0.615  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.940  -0.467   0.813  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.862   0.772   0.019  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.070   1.672   0.190  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.289   1.161   0.671  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.400   2.006   0.791  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.310   3.345   0.411  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.111   3.850  -0.085  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.376  -0.277   1.118  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -4.996   3.018  -0.198  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.223  -1.134   0.575  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7