REMARK  Name = BDB042634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.529   0.232  -0.551  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.459  -0.608  -1.142  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.126   0.188  -1.305  0.00  0.00    +0.074 C 
ATOM      4  N   LIG    1        0.698   0.682   0.028  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.695   1.763   0.247  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        1.752   2.513  -1.091  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        1.352   1.463  -2.128  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        3.072   1.101   0.564  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.232  -1.579   0.177  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.617  -0.721   1.067  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.417  -0.131   0.843  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.757  -0.396  -0.309  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.336  -1.240  -1.261  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        6.575  -1.840  -1.017  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.528  -2.638   0.726  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.499  -2.163   0.480  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1       -0.699   1.135   0.046  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.194   1.332   1.486  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.634   1.857   1.568  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.665   0.923   0.987  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.037   1.132  -0.323  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.624   1.888  -0.856  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -4.964   0.380  -1.011  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1       -5.243   0.614  -2.181  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.603  -0.725  -0.258  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.235  -0.933   1.081  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -5.833  -1.973   1.802  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -6.784  -2.790   1.185  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.134  -2.566  -0.144  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1       -8.047  -3.356  -0.724  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -6.554  -1.540  -0.877  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1       -4.234  -0.062   1.701  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6