REMARK  Name = BDB047040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.567   3.180   0.577  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.687   1.895   0.022  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -0.139   1.011  -0.739  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.577  -0.150  -0.954  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1        1.802  -0.001  -0.360  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1        1.895   1.235   0.236  0.00  0.00    +0.147 A 
ATOM      7  N   LIG    1        2.951   1.721   0.912  0.00  0.00    -0.218 NA
ATOM      8  C   LIG    1        2.730   2.964   1.365  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        1.619   3.708   1.232  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -1.491   1.187  -1.223  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1       -2.551   0.531  -0.589  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.864   0.727  -1.019  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.115   1.560  -2.108  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.057   2.209  -2.752  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -1.747   2.027  -2.310  0.00  0.00    +0.009 A 
BRANCH  12  16
ATOM     16  O   LIG    1       -4.813   0.030  -0.325  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -6.125   0.596  -0.320  0.00  0.00    +0.260 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -6.947  -0.081   0.775  0.00  0.00    +0.156 C 
ATOM     19  O   LIG    1       -8.257   0.509   0.872  0.00  0.00    -0.373 OA
ATOM     20  C   LIG    1       -9.203  -0.538   1.137  0.00  0.00    +0.160 C 
ATOM     21  C   LIG    1       -8.415  -1.812   1.354  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -7.171  -1.566   0.539  0.00  0.00    +0.037 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   3  10
BRANCH   5  23
ATOM     23  C   LIG    1        2.817  -1.076  -0.382  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1        3.383  -1.468   0.997  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        4.782  -1.593   0.322  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1        4.239  -0.643  -0.789  0.00  0.00    +0.030 C 
BRANCH  25  27
ATOM     27  C   LIG    1        5.918  -1.092   1.214  0.00  0.00    +0.088 C 
BRANCH  27  28
ATOM     28  N   LIG    1        7.300  -1.283   0.769  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1        7.557  -1.061  -0.668  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        8.569  -2.227  -0.578  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1        7.699  -2.697   0.609  0.00  0.00    +0.085 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   5  23
BRANCH   1  32
ATOM     32  N   LIG    1       -0.572   3.960   0.497  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -1.236   3.733  -0.227  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -0.385   4.936   0.681  0.00  0.00    +0.144 HD
ENDBRANCH   1  32
TORSDOF 8