REMARK  Name = BDB017327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.132   0.432  -1.788  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.322   0.739  -2.740  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1  11
ATOM      3  N   LIG    1        5.009   0.493   0.793  0.00  0.00    -0.300 N 
ATOM      4  H   LIG    1        5.271   1.104   1.557  0.00  0.00    +0.150 HD
ATOM      5  C   LIG    1        4.166  -0.449   1.306  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        3.483  -1.237   0.418  0.00  0.00    -0.285 N 
ATOM      7  C   LIG    1        3.227  -0.910  -0.980  0.00  0.00    +0.113 C 
ATOM      8  C   LIG    1        2.319  -2.037  -1.471  0.00  0.00    +0.013 C 
ATOM      9  C   LIG    1        1.538  -2.429  -0.223  0.00  0.00    +0.013 C 
ATOM     10  C   LIG    1        0.357  -1.453  -0.191  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        0.100  -1.024  -1.649  0.00  0.00    +0.072 C 
ATOM     12  C   LIG    1        1.249  -1.638  -2.471  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        2.539  -2.231   0.908  0.00  0.00    +0.113 C 
ATOM     14  O   LIG    1        4.034  -0.523   2.526  0.00  0.00    -0.253 OA
BRANCH   3  16
ATOM     15  C   LIG    1        6.503   1.161  -1.026  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        6.165   0.103   0.005  0.00  0.00    +0.102 C 
ENDBRANCH   3  16
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1       -1.000   1.139  -1.320  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -1.083   2.511  -1.524  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        0.094   3.408  -2.400  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1       -2.189   3.135  -1.002  0.00  0.00    +0.137 A 
ATOM     21  N   LIG    1       -3.156   2.491  -0.320  0.00  0.00    -0.221 NA
ATOM     22  C   LIG    1       -3.001   1.170  -0.147  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1       -1.953   0.478  -0.629  0.00  0.00    -0.198 NA
BRANCH  22  24
ATOM     24  N   LIG    1       -3.938   0.415   0.558  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1       -3.608  -0.540   0.586  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -5.086   0.775   1.161  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -5.908  -0.086   1.847  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1       -6.950   0.672   2.298  0.00  0.00    -0.273 N 
ATOM     29  C   LIG    1       -8.077   0.223   3.079  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.866   1.969   1.947  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1       -5.722   2.030   1.254  0.00  0.00    +0.157 A 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  17
TORSDOF 5