REMARK  Name = BDB007750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511   1.721  -0.262  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.545   2.555  -0.560  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.639   2.943  -1.489  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.785   1.367   0.878  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.474   0.478  -2.180  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        3.007   0.374  -3.438  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        1.718   0.703  -3.671  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.852   1.152  -2.694  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.351   1.267  -1.400  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.676   0.912  -1.135  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.806   0.090  -2.008  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1        5.181  -0.039  -2.946  0.00  0.00    +0.148 HD
BRANCH  11  15
ATOM     13  N   LIG    1        7.127  -0.180   0.344  0.00  0.00    -0.178 NA
ATOM     14  C   LIG    1        7.135   0.013  -1.129  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1        5.717   0.640  -1.045  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        5.648  -0.024   0.355  0.00  0.00    +0.132 C 
BRANCH  13  18
ATOM     17  C   LIG    1        7.476  -2.822   0.742  0.00  0.00    +0.215 C 
ATOM     18  S   LIG    1        8.064  -1.220   1.251  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        9.432  -1.085   0.796  0.00  0.00    -0.158 OA
ATOM     20  O   LIG    1        7.708  -1.036   2.641  0.00  0.00    -0.158 OA
ENDBRANCH  13  18
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1       -1.395   3.106   0.481  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.738   2.366   0.638  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.613   3.217   1.393  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.329   3.177   2.324  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -2.571   0.985   1.327  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.740   0.087   1.393  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.126  -0.436   0.073  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.328  -1.358   0.119  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.217  -1.329   1.209  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.338  -2.170   1.216  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.591  -3.015   0.137  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.723  -3.032  -0.954  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.925  -0.444   2.395  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.599  -2.206  -0.965  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.907   0.660   2.070  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9