REMARK  Name = BDB036178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.144   1.411   0.195  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.403   2.187   0.215  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.468   1.769  -0.827  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.698   0.313  -0.878  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.473  -0.514  -0.839  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.485  -0.030   0.246  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.802  -0.238  -0.224  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.549  -1.291  -0.796  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1       -4.232  -1.812  -2.171  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -5.608  -1.888  -0.186  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1       -5.978  -1.424   1.028  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -5.329  -0.378   1.665  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.236   0.212   1.028  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.152  -2.104   1.668  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1       -8.072  -2.597   1.028  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1       -7.154  -2.186   3.042  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -6.293  -2.116   3.566  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -7.873  -2.789   3.423  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        0.675   1.767  -0.977  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1        7.966  -1.523  -0.324  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1        6.663  -0.788  -0.200  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        6.430  -0.026   1.078  0.00  0.00    +0.181 C 
ATOM     23  O   LIG    1        7.188  -0.197   2.026  0.00  0.00    -0.290 OA
ATOM     24  C   LIG    1        5.311   0.967   1.076  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1        4.276   0.733   0.006  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1        4.576  -0.152  -1.041  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        3.627  -0.382  -2.035  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        2.385   0.244  -1.998  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        2.061   1.138  -0.965  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        3.027   1.414   0.034  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1        2.711   2.372   1.160  0.00  0.00    +0.044 C 
ATOM     32  N   LIG    1        5.796  -0.829  -1.161  0.00  0.00    -0.249 NA
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 4