REMARK  Name = BDB020837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.241  -0.370  -0.714  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -1.813  -1.685  -0.809  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1       -3.139  -1.808  -1.205  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -3.347  -3.162  -1.280  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1       -2.281  -3.815  -0.882  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -4.005  -0.727  -1.490  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.453   0.511  -1.425  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -1.317  -2.886  -0.580  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.055   0.668  -1.022  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.105   0.939   0.721  0.00  0.00    +0.404 C 
ATOM     11  N   LIG    1        2.823   0.470   0.480  0.00  0.00    -0.263 N 
ATOM     12  C   LIG    1        1.750   0.893   1.367  0.00  0.00    +0.116 C 
ATOM     13  C   LIG    1        0.432   1.057   0.609  0.00  0.00    +0.054 C 
ATOM     14  C   LIG    1        0.150  -0.118  -0.302  0.00  0.00    -0.038 C 
ATOM     15  C   LIG    1        1.166  -0.921  -0.675  0.00  0.00    -0.004 C 
ATOM     16  C   LIG    1        2.606  -0.744  -0.293  0.00  0.00    +0.138 C 
ATOM     17  O   LIG    1        4.362   1.831   1.519  0.00  0.00    -0.226 OA
BRANCH  10  18
ATOM     18  O   LIG    1        5.035   0.293  -0.030  0.00  0.00    -0.445 OA
BRANCH  18  20
ATOM     19  C   LIG    1        6.992   0.348   1.466  0.00  0.00    +0.055 C 
ATOM     20  C   LIG    1        6.442   0.630   0.063  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        7.133  -0.315  -0.932  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        6.701   2.075  -0.376  0.00  0.00    +0.055 C 
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  N   LIG    1       -5.339  -1.010  -1.838  0.00  0.00    -0.322 N 
ATOM     24  H   LIG    1       -5.794  -0.186  -2.246  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -6.292  -1.531  -0.834  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.661  -0.542   0.215  0.00  0.00    +0.122 A 
ATOM     27  O   LIG    1       -7.230   0.617  -0.226  0.00  0.00    -0.466 OA
ATOM     28  C   LIG    1       -7.460   1.387   0.868  0.00  0.00    +0.195 A 
ATOM     29  C   LIG    1       -7.051   0.736   2.008  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -6.532  -0.513   1.587  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
BRANCH   7  31
ATOM     31  C   LIG    1       -4.191   1.698  -1.717  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.778   2.667  -1.967  0.00  0.00    -0.191 NA
ENDBRANCH   7  31
TORSDOF 7