REMARK  Name = BDB041332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.172   0.511  -0.492  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -2.071  -0.947  -0.578  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -0.770  -1.539  -0.883  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.624  -2.872  -0.922  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -1.704  -3.691  -0.705  0.00  0.00    -0.328 N 
ATOM      6  H   LIG    1       -1.602  -4.699  -0.738  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -2.970  -3.233  -0.438  0.00  0.00    +0.249 A 
ATOM      8  O   LIG    1       -3.919  -3.984  -0.254  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.377  -0.577  -1.115  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1        0.198   0.717  -1.017  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -3.127  -1.759  -0.372  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -1.046   1.219  -0.721  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.884   1.371   2.297  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -3.650   1.624   1.096  0.00  0.00    -0.265 N 
ATOM     15  C   LIG    1       -3.350   1.249  -0.194  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -4.386   1.725  -0.973  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1       -5.254   2.371  -0.070  0.00  0.00    +0.162 A 
ATOM     18  N   LIG    1       -4.810   2.309   1.191  0.00  0.00    -0.160 NA
BRANCH  17  19
ATOM     19  C   LIG    1       -6.487   3.040  -0.370  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -7.480   3.573  -0.653  0.00  0.00    -0.189 NA
ENDBRANCH  17  19
ENDBRANCH   1  15
BRANCH   9  21
ATOM     21  N   LIG    1        1.639  -1.051  -1.437  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.651  -1.889  -2.003  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.747  -0.157  -1.751  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.324   0.506  -0.530  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.624  -0.169   0.651  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.394  -1.581   1.038  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        4.245  -1.636   2.306  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        4.388  -0.298   2.833  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        4.168   0.503   1.742  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        4.444   1.854   1.717  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        4.180   2.546   0.537  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        3.636   1.873  -0.567  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.424   2.574  -1.691  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5