REMARK  Name = BDB003318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.642  -0.263  -0.325  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.575  -1.042   0.146  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.347  -0.406   0.434  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.128   0.966   0.214  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1       -1.117   1.555   0.544  0.00  0.00    -0.284 N 
ATOM      6  C   LIG    1       -1.242   3.010   0.352  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1       -0.444   3.500  -0.847  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.024   3.175  -0.631  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.191   1.713  -0.318  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.435   1.105  -0.561  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.365   0.879   0.510  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -3.341   1.088   1.528  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -4.588   0.433   1.390  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -5.593   0.613   2.356  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -5.376   1.419   3.473  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.148   2.044   3.644  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.804  -0.410   0.301  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.775  -0.588  -0.608  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1       -3.143   1.875   2.690  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -2.581   0.036  -0.526  0.00  0.00    -0.226 NA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.950  -1.526  -1.757  0.00  0.00    +0.262 C 
ATOM     22  N   LIG    1       -5.131  -1.378  -2.470  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -5.651  -0.518  -2.354  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -5.338  -2.129  -3.683  0.00  0.00    +0.128 C 
ATOM     25  O   LIG    1       -3.093  -2.358  -2.031  0.00  0.00    -0.269 OA
ENDBRANCH  18  21
ENDBRANCH   5  11
BRANCH   1  29
ATOM     26  N   LIG    1        5.913  -1.760  -0.294  0.00  0.00    -0.271 N 
ATOM     27  N   LIG    1        5.969  -1.305  -1.561  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        4.777  -0.729  -1.737  0.00  0.00    +0.142 A 
ATOM     29  C   LIG    1        3.963  -0.798  -0.584  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        4.746  -1.451   0.344  0.00  0.00    +0.116 A 
BRANCH  26  32
ATOM     31  C   LIG    1        8.110  -1.567   0.801  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1        7.034  -2.491   0.261  0.00  0.00    +0.140 C 
ENDBRANCH  26  32
ENDBRANCH   1  29
BRANCH   2  33
ATOM     33  C   LIG    1        1.671  -2.529   0.379  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1        2.391  -3.202  -0.562  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1        2.240  -2.834   1.581  0.00  0.00    -0.204 F 
ENDBRANCH   2  33
TORSDOF 5