REMARK  Name = BDB052598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.203   0.306   1.877  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.125  -0.405   1.324  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.165  -1.784   1.454  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1        0.912  -2.344   0.844  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1        1.673  -1.335   0.319  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -1.103  -2.518   2.065  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -2.062  -1.745   2.580  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1        1.069  -0.115   0.591  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.162  -0.406   2.516  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.888  -1.782  -0.361  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        2.909  -3.010  -1.042  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.060  -3.447  -1.702  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.210  -2.663  -1.688  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.211  -1.446  -1.011  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.058  -1.010  -0.350  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        1.577   1.170   0.154  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        2.002   2.112   1.099  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.473   3.358   0.682  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.521   3.668  -0.676  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        2.097   2.734  -1.621  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.623   1.487  -1.209  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1       -1.321   1.691   1.790  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1       -0.706   2.103   1.096  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.667   2.260   1.835  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.352   2.223   0.478  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.033   0.903   0.244  0.00  0.00    +0.309 C 
ATOM     27  O   LIG    1       -5.098   0.584   0.755  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -3.306   0.140  -0.619  0.00  0.00    -0.465 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -4.794  -1.138  -2.034  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -3.819  -1.175  -0.873  0.00  0.00    +0.229 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8