REMARK  Name = BDB031114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.015  -0.641  -0.849  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.146  -0.076  -0.448  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.088   0.182  -1.374  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.899  -0.145  -2.714  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.706  -0.741  -3.115  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.272  -0.999  -2.164  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.937  -0.045   0.829  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        4.188  -0.717   1.729  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        2.810  -0.966   1.466  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1        2.284  -0.496   0.262  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        0.956  -0.884   0.229  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.746  -1.496   1.452  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        3.044   0.239  -0.654  0.00  0.00    +0.094 A 
ATOM     14  N   LIG    1        1.898  -1.576   2.189  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        4.342   0.478  -0.400  0.00  0.00    +0.031 A 
BRANCH   7  19
ATOM     16  N   LIG    1        7.234   0.186   0.123  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        8.219   0.227   0.352  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        6.973  -0.131  -0.799  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        6.370   0.177   1.177  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1        6.773   0.304   2.326  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   3  21
ATOM     21  N   LIG    1       -3.321   0.743  -0.997  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -3.497   1.545  -1.597  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.422   1.113   0.437  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -3.662  -0.097   1.340  0.00  0.00    +0.201 C 
ATOM     25  F   LIG    1       -3.243   0.211   2.604  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1       -5.185  -0.268   1.368  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1       -5.786   0.875   0.640  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.879   0.583  -0.337  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.721   1.898   0.672  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 4