REMARK  Name = BDB014443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.845   0.037   0.679  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.635  -0.087   0.035  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.441   0.491  -0.774  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.124  -0.633   1.671  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.780   1.081   0.063  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        4.103   1.056   0.600  0.00  0.00    -0.481 OA
BRANCH   6   8
ATOM      7  C   LIG    1        5.868   1.064  -1.036  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1        4.963   0.382  -0.222  0.00  0.00    +0.146 A 
ATOM      9  C   LIG    1        4.984  -1.016  -0.182  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        5.869  -1.726  -0.994  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.750  -1.044  -1.833  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.754   0.352  -1.855  0.00  0.00    +0.030 A 
BRANCH   7  14
ATOM     13  C   LIG    1        6.329   3.311   0.586  0.00  0.00    +0.200 C 
ATOM     14  S   LIG    1        5.892   2.836  -1.068  0.00  0.00    -0.002 S 
ATOM     15  O   LIG    1        4.541   3.285  -1.355  0.00  0.00    -0.170 OA
ATOM     16  O   LIG    1        6.991   3.241  -1.928  0.00  0.00    -0.170 OA
ENDBRANCH   7  14
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.363  -1.087   0.409  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.074  -0.771   1.744  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.243  -1.126   2.861  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.689  -0.942   2.611  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.387  -1.571   1.893  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.390  -1.342   0.836  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.970   0.015   0.930  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.122   0.249  -0.027  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.839  -0.832  -0.569  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.918  -0.590  -1.430  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.299   0.716  -1.732  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.605   1.789  -1.181  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.408  -2.247  -0.276  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.523   1.558  -0.330  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.474  -2.338   0.938  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 9