REMARK  Name = BDB035113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.289   0.283   0.906  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        1.514   0.868   1.497  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        2.695   0.996   0.510  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        3.140  -0.308  -0.008  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        2.009  -1.248  -0.152  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1        0.625  -0.565  -0.260  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.021  -0.239  -1.189  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        5.037   0.952  -1.236  0.00  0.00    +0.165 C 
ATOM      9  N   LIG    1        6.135   0.859  -0.246  0.00  0.00    -0.274 NA
ATOM     10  C   LIG    1        6.579  -0.350  -0.074  0.00  0.00    +0.155 C 
ATOM     11  C   LIG    1        6.046  -1.565  -0.728  0.00  0.00    +0.151 C 
ATOM     12  F   LIG    1        6.796  -2.680  -0.723  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1        4.821  -1.517  -1.256  0.00  0.00    +0.034 C 
BRANCH  10  14
ATOM     14  C   LIG    1        7.750  -0.582   0.862  0.00  0.00    +0.265 C 
ATOM     15  N   LIG    1        8.972  -0.056   0.511  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        9.672  -0.146   1.237  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.211   0.859  -0.577  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.589  -1.225   1.891  0.00  0.00    -0.268 OA
ENDBRANCH  10  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.696   1.318   0.555  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.781  -0.942   0.120  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -6.212  -0.756   1.525  0.00  0.00    +0.217 C 
ATOM     22  O   LIG    1       -6.860  -0.852   2.561  0.00  0.00    -0.275 OA
ATOM     23  N   LIG    1       -4.860  -0.524   1.563  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -4.452  -0.506   2.490  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -4.044  -0.720   0.390  0.00  0.00    +0.121 C 
ATOM     26  C   LIG    1       -4.613   0.018  -0.850  0.00  0.00    +0.130 C 
ATOM     27  N   LIG    1       -4.114   1.398  -1.032  0.00  0.00    -0.286 NA
ATOM     28  C   LIG    1       -2.976   1.693  -0.513  0.00  0.00    +0.110 C 
ATOM     29  C   LIG    1       -2.089   0.814   0.287  0.00  0.00    -0.018 C 
ATOM     30  C   LIG    1       -2.646  -0.324   0.729  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -6.155   0.099  -0.816  0.00  0.00    +0.041 C 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.966   0.414   0.395  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -8.319  -0.934   0.102  0.00  0.00    +0.009 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5