REMARK  Name = BDB019108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.207   0.324   0.700  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.494   0.411  -0.526  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1       -0.882   0.303  -0.451  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.366   0.475  -1.722  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1       -0.401   0.621  -2.603  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -1.570   0.097   0.757  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.904   0.046   1.880  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.763   0.587  -1.867  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        0.470   0.159   1.821  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.357   0.712   1.129  0.00  0.00    +0.158 A 
ATOM     11  N   LIG    1        4.872  -0.534   0.913  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        3.532  -0.665   0.768  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.035  -2.059   0.511  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        2.666   0.420   0.846  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        3.271   1.643   1.087  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1        4.599   1.818   1.235  0.00  0.00    -0.237 NA
BRANCH  10  17
ATOM     17  C   LIG    1        6.868   0.850   1.260  0.00  0.00    +0.182 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.359   0.855  -1.258  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        7.495   1.589   0.072  0.00  0.00    +0.036 C 
ENDBRANCH  17  19
BRANCH  17  20
ATOM     20  O   LIG    1        7.507  -0.431   1.403  0.00  0.00    -0.384 OA
ATOM     21  H   LIG    1        6.795  -1.087   1.249  0.00  0.00    +0.210 HD
ENDBRANCH  17  20
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  N   LIG    1       -2.941  -0.027   0.780  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.228   0.061   1.757  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.551  -1.252   0.261  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.031  -1.234   0.514  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.885  -0.300  -0.067  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.588   0.852  -0.952  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.009   1.200  -1.397  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.946   0.687  -0.424  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.248  -0.308   0.208  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.824  -1.229   1.059  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.992  -2.184   1.641  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.618  -2.180   1.366  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.850  -3.111   1.950  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
BRANCH   8  35
ATOM     35  C   LIG    1        2.040   0.736  -2.498  0.00  0.00    +0.121 C 
ATOM     36  N   LIG    1        3.089   0.849  -2.983  0.00  0.00    -0.189 NA
ENDBRANCH   8  35
TORSDOF 8