REMARK  Name = BDB041194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -1.043   0.235  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1       -1.764  -2.303   0.247  0.00  0.00    +0.192 A 
ATOM      3  C   LIG    1       -3.109  -2.466   0.516  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -3.361  -3.854   0.454  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1       -2.155  -4.449   0.152  0.00  0.00    +0.198 A 
ATOM      6  N   LIG    1       -3.937  -1.434   0.778  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1       -3.328  -0.232   0.736  0.00  0.00    +0.164 A 
ATOM      8  O   LIG    1       -1.172  -3.513   0.027  0.00  0.00    -0.458 OA
ATOM      9  N   LIG    1       -2.009  -0.004   0.502  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -4.147   0.952   1.031  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.444   1.136   0.509  0.00  0.00    +0.055 A 
ATOM     12  N   LIG    1       -6.190   2.238   0.826  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1       -5.658   3.176   1.636  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.392   3.091   2.171  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.634   1.968   1.863  0.00  0.00    +0.015 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -6.093   0.147  -0.444  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -5.559  -0.013  -1.851  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -6.885   0.646  -1.633  0.00  0.00    +0.010 C 
ENDBRANCH  11  16
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  N   LIG    1        0.169  -0.846  -0.044  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1        0.712  -1.695   0.086  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.756   0.352   0.524  0.00  0.00    +0.138 C 
BRANCH  21  25
ATOM     22  C   LIG    1        5.032   0.327  -0.317  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.088   0.625  -1.317  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        2.715   0.634  -1.045  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.240   0.354   0.241  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.164   0.056   1.247  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.535   0.049   0.970  0.00  0.00    +0.010 A 
BRANCH  22  31
ATOM     28  C   LIG    1        9.227   0.318  -0.928  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        8.621   0.645   0.271  0.00  0.00    +0.111 A 
ATOM     30  N   LIG    1        7.284   0.643   0.464  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        6.487   0.308  -0.584  0.00  0.00    +0.071 A 
ATOM     32  C   LIG    1        7.028  -0.042  -1.823  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        8.412  -0.035  -1.994  0.00  0.00    +0.004 A 
ENDBRANCH  22  31
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6