REMARK  Name = BDB032788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.239  -0.485  -0.141  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.244   0.321   0.392  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.231   0.880   1.472  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.171   0.386  -0.606  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.582  -0.324  -1.732  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.751  -0.425  -2.832  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.499   0.202  -2.775  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.091   0.933  -1.633  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        1.944   1.018  -0.524  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.956  -0.867  -1.519  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.636  -1.193   0.469  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.430  -0.990   0.560  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.880   0.205   0.171  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        9.532   0.844  -0.266  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        7.563   0.407  -0.172  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.255   1.312  -0.943  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.563  -0.576   0.463  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.141  -1.986   0.392  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.477  -2.021   1.120  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.270   1.582  -1.592  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.162   0.674  -0.942  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.440   1.124  -0.864  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -3.180   0.178  -0.216  0.00  0.00    -0.250 N 
ATOM     24  H   LIG    1       -2.642  -0.630   0.068  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -2.815   2.197  -1.310  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.551   0.207   0.091  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -5.110  -0.870   0.772  0.00  0.00    +0.136 A 
ATOM     28  N   LIG    1       -6.413  -0.968   1.129  0.00  0.00    -0.238 NA
ATOM     29  C   LIG    1       -7.235   0.055   0.806  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1       -6.758   1.168   0.116  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1       -5.409   1.247  -0.240  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  N   LIG    1       -8.594  -0.030   1.156  0.00  0.00    -0.315 N 
ATOM     33  C   LIG    1       -9.439   1.054   1.566  0.00  0.00    +0.108 C 
ATOM     34  C   LIG    1      -10.357  -0.010   2.177  0.00  0.00    +0.038 C 
ATOM     35  C   LIG    1       -9.115  -0.907   2.167  0.00  0.00    +0.108 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6