REMARK  Name = BDB015620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.522   0.295  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.371  -1.277  -0.336  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.588  -0.726  -0.463  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.938   0.491  -0.026  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.996   1.203   0.627  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.276   0.714   0.833  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.396   2.542   1.133  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.667   2.726   1.538  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.121   3.939   2.031  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.510   4.032   2.454  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.299   5.058   2.146  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.662   6.141   2.598  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.889   4.880   1.670  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.002   6.079   1.742  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.497   3.685   1.197  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.762  -1.207   0.440  0.00  0.00    -0.201 N 
ATOM     17  H   LIG    1        1.654  -2.108  -0.035  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.109  -0.391  -0.186  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        3.364   0.765   0.651  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.896  -0.240  -1.610  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.411  -1.617   0.108  0.00  0.00    +0.326 C 
ATOM     22  F   LIG    1        3.991  -2.870  -0.250  0.00  0.00    -0.219 F 
BRANCH  21  24
ATOM     23  C   LIG    1        6.811  -2.224  -0.338  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1        5.672  -1.273  -0.671  0.00  0.00    +0.059 C 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -2.583  -1.405  -1.155  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.386  -2.754  -1.326  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.473  -3.623  -0.236  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -2.721  -3.146   0.993  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -2.310  -4.993  -0.405  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.069  -5.504  -1.679  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -2.000  -4.642  -2.779  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.169  -3.258  -2.617  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -2.088  -2.339  -3.802  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7