REMARK  Name = BDB054695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.245   2.145   0.783  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -4.175   1.259   0.701  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1       -2.992   1.976   0.703  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1       -3.303   3.322   0.755  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -2.231   4.202   0.745  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.970   3.720   0.688  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -0.774   2.384   0.659  0.00  0.00    +0.221 A 
ATOM      8  N   LIG    1       -1.751   1.462   0.655  0.00  0.00    -0.196 NA
ATOM      9  C   LIG    1       -4.709   3.425   0.809  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -4.248  -0.189   0.620  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1       -3.622  -0.939   1.800  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -3.433  -2.342   1.246  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -2.960  -2.112  -0.183  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -3.620  -0.811  -0.640  0.00  0.00    +0.025 C 
ENDBRANCH   2  10
BRANCH   1  16
ATOM     15  C   LIG    1       -7.247   1.330  -0.511  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.697   1.784   0.832  0.00  0.00    +0.158 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -6.857   0.776   1.818  0.00  0.00    -0.386 OA
ATOM     18  H   LIG    1       -7.812   0.658   1.950  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   7  19
ATOM     19  N   LIG    1        0.576   2.019   0.611  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        1.103   2.882   0.554  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.199   0.829   0.662  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        0.656  -0.407   0.898  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        1.670  -1.329   0.891  0.00  0.00    -0.344 N 
ATOM     24  C   LIG    1        1.489  -2.744   1.134  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1        2.873  -0.712   0.603  0.00  0.00    +0.106 A 
ATOM     26  C   LIG    1        2.592   0.646   0.507  0.00  0.00    +0.055 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.146  -1.407   0.530  0.00  0.00    +0.263 C 
ATOM     28  N   LIG    1        5.003  -1.122  -0.535  0.00  0.00    -0.294 N 
ATOM     29  C   LIG    1        6.400  -1.547  -0.426  0.00  0.00    +0.123 C 
ATOM     30  C   LIG    1        7.026  -1.917  -1.783  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        6.825  -0.923  -2.856  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        7.627   0.279  -2.642  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        5.386  -0.613  -2.961  0.00  0.00    +0.103 C 
ATOM     34  C   LIG    1        4.700  -0.207  -1.641  0.00  0.00    +0.123 C 
ATOM     35  O   LIG    1        4.451  -2.244   1.379  0.00  0.00    -0.268 OA
ENDBRANCH  25  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6