REMARK  Name = BDB017406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.498  -0.165   1.723  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.523   0.047   0.538  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -0.377  -0.777   0.323  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.762   1.053  -0.365  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        1.620   2.203  -0.201  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.569   2.962  -1.529  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.918   1.991  -2.511  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1        2.928   1.726   0.032  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1        3.253   1.690   1.420  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.044   1.107  -1.629  0.00  0.00    +0.164 C 
ATOM     11  C   LIG    1        2.171   1.076   2.307  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.015  -2.061   2.271  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1        2.459  -1.194   1.357  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        2.882  -1.178   0.428  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        2.729  -2.048   3.466  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.982  -3.088   1.630  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        4.725  -3.904   2.689  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1        5.880  -1.576   1.213  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        4.851  -2.430   0.623  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        5.305  -3.151   0.061  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1       -1.350   1.714  -1.382  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -2.376   0.798  -1.498  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -2.117  -0.183  -1.413  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -1.521   2.882  -1.039  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.741   1.121  -1.109  0.00  0.00    +0.110 C 
ATOM     26  C   LIG    1       -4.733   0.308  -1.904  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -5.846  -0.264  -1.279  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1       -6.744  -1.046  -2.008  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -6.563  -1.236  -3.375  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.487  -0.634  -4.021  0.00  0.00    +0.001 A 
ATOM     31  O   LIG    1       -6.119  -0.136   0.055  0.00  0.00    -0.492 OA
ATOM     32  C   LIG    1       -5.390   0.896   0.728  0.00  0.00    +0.231 C 
ATOM     33  C   LIG    1       -4.578   0.133  -3.290  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -3.915   0.862   0.389  0.00  0.00    +0.068 C 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5