REMARK  Name = BDB043030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315   4.045   0.113  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.030   2.724   0.329  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.149   1.985   0.243  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.153   0.579   0.414  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.022  -0.019   0.672  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.251   0.838   0.763  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.229   2.785   0.000  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.236   2.138   0.585  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.713   4.010  -0.083  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.605   5.920  -1.272  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.597   5.234   0.096  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.240   6.236   1.196  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.491   0.305   1.020  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -3.175   1.053   1.112  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.748  -0.824   1.901  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.650  -1.869   1.230  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -3.008  -2.512  -0.008  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -3.951  -3.576  -0.616  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -5.381  -3.273  -0.536  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -5.862  -3.649  -1.353  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -5.635  -1.847  -0.403  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.057  -1.317   0.911  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -1.762  -3.117   0.352  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -1.415  -3.554  -0.446  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        2.386  -0.073   0.289  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.143   0.620   0.260  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.753  -1.299   0.969  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.114  -1.773   0.626  0.00  0.00    +0.060 A 
ATOM     29  N   LIG    1        4.495  -2.202  -0.629  0.00  0.00    -0.302 N 
ATOM     30  C   LIG    1        5.828  -2.595  -0.525  0.00  0.00    +0.138 A 
ATOM     31  C   LIG    1        6.456  -3.094  -1.702  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        5.762  -3.165  -2.854  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.374  -2.739  -2.931  0.00  0.00    +0.018 A 
ATOM     34  N   LIG    1        6.289  -2.429   0.696  0.00  0.00    -0.236 NA
ATOM     35  C   LIG    1        3.774  -2.270  -1.824  0.00  0.00    +0.093 A 
ATOM     36  C   LIG    1        5.241  -1.915   1.410  0.00  0.00    +0.136 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8