REMARK  Name = BDB031152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.477  -0.466  -0.199  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.216  -0.745   0.270  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.332   0.081   1.089  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.517  -0.968   1.803  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.711  -2.066   0.753  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.528  -1.960  -0.144  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.982  -1.131  -1.111  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.499   0.971   0.197  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        0.030   2.146  -0.339  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -0.906   2.533  -0.242  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.039   2.707  -1.071  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        2.106   1.836  -0.989  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        1.748   0.766  -0.183  0.00  0.00    -0.226 NA
BRANCH  12  14
ATOM     14  C   LIG    1        3.426   2.052  -1.607  0.00  0.00    +0.267 C 
ATOM     15  N   LIG    1        4.297   0.967  -1.756  0.00  0.00    -0.293 N 
ATOM     16  C   LIG    1        5.637   1.234  -2.250  0.00  0.00    +0.133 C 
ATOM     17  O   LIG    1        3.756   3.185  -1.965  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.858  -0.431  -1.814  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.468  -1.318  -0.748  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1        4.975  -2.511  -1.158  0.00  0.00    -0.258 NA
ATOM     21  C   LIG    1        5.502  -3.322  -0.214  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        5.543  -3.013   1.134  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.014  -1.796   1.542  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.470  -0.936   0.593  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1        0.796  -3.328   1.406  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        1.077  -3.976   0.737  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.303   0.651   0.487  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -4.257   2.912  -2.409  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -3.517   2.458  -1.181  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -4.029   1.328  -0.593  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -4.565   0.710  -1.196  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -2.529   3.047  -0.749  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -4.269   0.112   1.591  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -3.479  -0.569   2.726  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -5.043   1.298   2.209  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -5.295  -0.900   1.044  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8