REMARK  Name = BDB013075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.510  -0.103   0.374  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.197   0.814  -0.454  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.569   0.766  -0.416  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.992   1.774  -1.230  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.957   2.366  -1.781  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.281  -0.145   0.368  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.636  -0.968   1.149  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.179   1.759  -1.291  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.254  -0.918   1.136  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.793  -2.724   0.641  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -4.083  -1.400   0.600  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -4.774  -0.178   0.653  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -4.108   0.997   0.646  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -2.756   0.980   0.548  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.984  -0.172   0.479  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.682  -1.381   0.494  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  N   LIG    1       -6.176  -0.158   0.715  0.00  0.00    -0.311 N 
ATOM     18  C   LIG    1       -6.816  -0.519  -0.573  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1       -7.667   0.635  -1.127  0.00  0.00    +0.178 C 
ATOM     20  O   LIG    1       -8.688   1.072  -0.217  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1       -8.259   1.064   1.156  0.00  0.00    +0.178 C 
ATOM     22  C   LIG    1       -6.731   1.068   1.324  0.00  0.00    +0.134 C 
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  23
ATOM     23  N   LIG    1        3.658  -0.171   0.347  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.966  -0.735   1.141  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.342  -0.675  -0.841  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.815  -0.785  -0.560  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1        6.644   0.332  -0.513  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.341   1.761  -0.767  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        7.632   2.387  -0.238  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.683   1.395  -0.268  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        8.003   0.205  -0.259  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.598  -1.019  -0.037  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        7.785  -2.151  -0.057  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        6.408  -2.036  -0.311  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5