REMARK  Name = BDB043012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.835   3.577   0.353  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.513   2.234   0.316  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.715   1.527   0.163  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.718   0.104   0.099  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.529  -0.521   0.178  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.712   0.304   0.321  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.777   2.389   0.109  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.699   1.611   0.399  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.236   3.600   0.220  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.176   5.531   1.778  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.105   4.736   0.501  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.067   5.654  -0.722  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.957  -0.278   0.399  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.651   0.470   0.419  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.391  -1.331  -0.511  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.683  -1.986  -0.004  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.874  -1.012   0.161  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -6.237  -1.720  -0.011  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.206  -3.102   0.448  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.141  -3.510   0.416  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.289  -3.918  -0.351  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -4.093  -3.146  -0.923  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -4.787   0.051  -0.792  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -5.509   0.675  -0.599  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.903  -0.627  -0.038  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        2.814  -1.626   0.122  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.257  -0.117   0.090  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.227  -1.275   0.013  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.713  -1.879   1.182  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.587  -2.964   1.106  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.976  -3.462  -0.136  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.489  -2.878  -1.304  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.616  -1.793  -1.231  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8