REMARK  Name = BDB041317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.379   0.137  -0.448  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.773  -0.957  -1.101  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -0.636  -0.985  -1.194  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.208  -2.107  -1.814  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1       -0.519  -3.141  -2.352  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1        0.821  -3.073  -2.272  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -1.386   0.089  -0.656  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.794   1.128  -0.033  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.499  -2.028  -1.667  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.553   1.136   0.052  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.020   0.696  -0.374  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        4.853  -0.097   0.702  0.00  0.00    -0.166 NA
ATOM     13  N   LIG    1        3.530  -0.338   0.753  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        3.007  -1.162   1.821  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        2.821   0.250  -0.263  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        3.761   0.946  -0.993  0.00  0.00    +0.062 A 
BRANCH  11  19
ATOM     17  C   LIG    1        7.657  -0.373   0.540  0.00  0.00    +0.132 C 
ATOM     18  N   LIG    1        7.524   0.789  -0.324  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        6.309   1.277  -0.826  0.00  0.00    +0.266 C 
ATOM     20  O   LIG    1        6.292   2.197  -1.648  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1        8.745   1.524  -0.604  0.00  0.00    +0.132 C 
ENDBRANCH  11  19
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  N   LIG    1       -2.793   0.078  -0.766  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1       -3.030   0.033  -1.755  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.473   1.203  -0.102  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.002   1.048  -0.216  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1       -5.694   2.410   0.107  0.00  0.00    +0.198 C 
ATOM     27  F   LIG    1       -4.966   3.072   1.052  0.00  0.00    -0.240 F 
ATOM     28  C   LIG    1       -7.117   2.303   0.607  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -7.609   1.165   1.126  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -6.770   0.009   1.199  0.00  0.00    +0.120 C 
ATOM     31  O   LIG    1       -7.223  -1.125   1.838  0.00  0.00    -0.492 OA
ATOM     32  C   LIG    1       -6.075  -2.004   1.790  0.00  0.00    +0.233 C 
ATOM     33  C   LIG    1       -5.048  -1.433   0.805  0.00  0.00    +0.076 C 
ATOM     34  C   LIG    1       -5.584  -0.072   0.605  0.00  0.00    -0.017 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5