REMARK  Name = BDB061183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.359  -0.295  -0.829  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.912  -0.660   0.480  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.556  -0.779   0.674  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.399  -1.098   1.992  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.573  -1.217   2.567  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.395  -0.588  -0.338  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.013  -0.262  -1.534  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.529  -0.949   1.611  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.371  -0.130  -1.741  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.305  -0.988  -2.210  0.00  0.00    +0.135 C 
ATOM     11  N   LIG    1        3.718  -0.144  -1.163  0.00  0.00    -0.299 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.639   0.543  -0.323  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.224   1.671   0.412  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        5.105   2.384   1.231  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.433   1.988   1.335  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.876   0.881   0.620  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.989   0.170  -0.200  0.00  0.00    +0.023 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.733  -0.747  -0.040  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.970  -1.353   0.738  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.734  -0.771  -1.093  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.102  -0.684  -0.481  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.588   0.491   0.087  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.932   1.810   0.262  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.152   2.639   0.666  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.165   1.758   1.204  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.846   0.535   0.675  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.671  -0.569   0.732  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.209  -1.756   0.164  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.941  -1.804  -0.432  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.523  -2.968  -0.950  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5