REMARK  Name = BDB015750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152   0.258  -0.561  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.617  -0.832  -0.574  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.943  -0.634  -0.664  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.544   0.555  -0.795  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.740   1.634  -0.790  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.366   1.528  -0.682  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.423   2.943  -0.957  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.005   4.024  -0.270  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.620   5.263  -0.389  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.098   6.375   0.389  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.720   5.474  -1.217  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.298   6.547  -1.367  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.206   4.281  -1.955  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.587   3.102  -1.817  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.529   0.028  -0.442  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.573  -0.990  -0.550  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.064   0.324   0.901  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        2.588   1.757   1.013  0.00  0.00    +0.033 C 
BRANCH  17  21
ATOM     19  C   LIG    1        4.418  -0.528  -0.973  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.242  -1.044   0.431  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        3.161  -0.680   1.270  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        3.083  -1.265   2.554  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.032  -2.187   2.996  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.081  -2.548   2.164  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.182  -1.986   0.893  0.00  0.00    +0.004 A 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  26
ATOM     26  O   LIG    1       -2.799  -1.728  -0.693  0.00  0.00    -0.420 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.293  -2.906  -0.197  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -1.970  -3.031   1.157  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -2.128  -1.993   1.993  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -1.489  -4.233   1.665  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.341  -5.327   0.815  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -1.682  -5.217  -0.536  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -2.172  -4.009  -1.056  0.00  0.00    -0.005 A 
ATOM     34  C   LIG    1       -2.532  -3.898  -2.509  0.00  0.00    +0.047 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 6