REMARK  Name = BDB027746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518  -0.400   0.733  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.876  -0.504   2.091  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.214  -0.231   2.389  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.575  -0.329   3.725  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.751  -0.656   4.755  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.469  -0.900   4.436  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.114   0.114   1.458  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.674   0.172   0.196  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1       -0.011  -0.838   3.141  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.417  -0.064  -0.202  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.641   0.554  -0.831  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.908  -0.249  -1.950  0.00  0.00    +0.080 A 
ATOM     13  C   LIG    1        4.831   0.207  -2.883  0.00  0.00    +0.130 A 
ATOM     14  N   LIG    1        5.499   1.379  -2.782  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        5.243   2.132  -1.694  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.341   1.767  -0.709  0.00  0.00    +0.032 A 
BRANCH  12  17
ATOM     17  C   LIG    1        3.313  -1.535  -2.144  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        2.871  -2.594  -2.320  0.00  0.00    -0.191 NA
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  N   LIG    1       -0.814  -0.648   0.366  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1       -1.045  -1.594   0.663  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.355  -0.373  -0.985  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -0.772  -1.385  -1.994  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -1.066   1.059  -1.460  0.00  0.00    +0.031 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -2.898  -0.642  -0.923  0.00  0.00    +0.059 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.252  -0.223  -0.166  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.826   0.351  -0.179  0.00  0.00    +0.062 C 
ATOM     27  C   LIG    1       -3.398   0.659   1.256  0.00  0.00    +0.041 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -3.887   1.574  -0.917  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -4.443   2.200  -0.421  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7