REMARK  Name = BDB002194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.718   0.694  -0.957  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1       -1.208  -0.546  -1.105  0.00  0.00    -0.222 NA
ATOM      3  C   LIG    1        0.089  -0.647  -1.413  0.00  0.00    +0.190 A 
ATOM      4  N   LIG    1        0.924   0.382  -1.587  0.00  0.00    -0.218 NA
ATOM      5  C   LIG    1        0.402   1.625  -1.432  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1       -0.932   1.820  -1.109  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.908   0.817   0.074  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1       -5.085  -0.214   0.562  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -3.725  -0.235   0.218  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1       -3.152   0.753  -0.607  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.995   1.770  -1.082  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.355   1.803  -0.747  0.00  0.00    +0.050 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -8.069   1.839   0.054  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.228   0.764   0.446  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -5.696  -1.147   1.365  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -4.891  -2.195   1.888  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1        1.323   2.827  -1.579  0.00  0.00    +0.434 C 
ATOM     18  F   LIG    1        0.647   4.011  -1.674  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        2.111   2.770  -2.691  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        2.171   2.972  -0.522  0.00  0.00    -0.164 F 
ENDBRANCH   5  17
BRANCH   3  21
ATOM     21  S   LIG    1        0.780  -2.274  -1.523  0.00  0.00    -0.077 S 
BRANCH  21  22
ATOM     22  C   LIG    1        0.480  -2.777   0.200  0.00  0.00    +0.173 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.137  -1.812   1.175  0.00  0.00    +0.224 C 
ATOM     24  N   LIG    1        2.496  -1.667   1.004  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        2.878  -1.945   0.107  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1        0.506  -1.237   2.057  0.00  0.00    -0.275 OA
BRANCH  24  27
ATOM     27  C   LIG    1        3.221  -0.661   1.744  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.653  -0.759   1.371  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.276  -0.352   0.199  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        4.729   0.302  -1.019  0.00  0.00    +0.065 C 
ATOM     31  N   LIG    1        6.599  -0.691   0.344  0.00  0.00    -0.271 N 
ATOM     32  C   LIG    1        7.662  -0.499  -0.616  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        6.878  -1.256   1.530  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        5.699  -1.299   2.150  0.00  0.00    +0.139 A 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 9