REMARK  Name = BDB010130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.418  -1.026  -0.965  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.045  -1.208  -0.833  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.489  -2.485  -0.839  0.00  0.00    +0.185 A 
ATOM      4  N   LIG    1        1.846  -2.465  -0.720  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        2.179  -1.199  -0.639  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1       -0.236  -3.606  -0.964  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.544  -3.356  -1.108  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        1.060  -0.389  -0.721  0.00  0.00    -0.303 N 
ATOM      9  N   LIG    1       -2.151  -2.145  -1.119  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1        3.442  -0.694  -0.577  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        3.850  -0.031   0.686  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        5.098  -0.686   1.298  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1        6.227  -0.677   0.415  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1        5.871  -0.915  -0.956  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1        4.496  -1.574  -1.137  0.00  0.00    +0.136 C 
ENDBRANCH   5  10
BRANCH   1  16
ATOM     16  N   LIG    1       -2.024   0.224  -0.961  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.572   0.877  -0.335  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.934   1.606  -1.477  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -3.483   0.285  -0.851  0.00  0.00    +0.072 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.869   0.111   0.601  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -4.963   0.892   1.292  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.525   1.138   1.657  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
BRANCH   7  23
ATOM     23  C   LIG    1       -2.428  -4.566  -1.265  0.00  0.00    +0.375 C 
ATOM     24  O   LIG    1       -2.077  -5.735  -1.293  0.00  0.00    -0.242 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.743  -4.262  -1.379  0.00  0.00    -0.475 OA
ATOM     26  H   LIG    1       -4.174  -5.135  -1.477  0.00  0.00    +0.296 HD
ENDBRANCH  23  25
ENDBRANCH   7  23
BRANCH   8  27
ATOM     27  C   LIG    1        1.073   1.058  -0.875  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.634   1.837   0.351  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        0.399   3.215   0.201  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -0.012   3.997   1.283  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.187   3.411   2.532  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1       -0.701   4.369   3.864  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        0.048   2.050   2.707  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        0.457   1.267   1.623  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 8