REMARK  Name = BDB034505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228   1.113   0.258  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.093  -0.076  -0.581  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.144  -0.609  -0.963  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.252  -1.333  -1.957  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.383  -0.330  -0.160  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1        1.237  -0.017   1.155  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1        2.372   0.182   1.874  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        3.657   0.081   1.361  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1        4.779   0.306   2.192  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.982   0.207   1.692  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1        6.144  -0.134   0.308  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1        5.056  -0.360  -0.495  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        5.525  -0.668  -1.742  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        6.841  -0.640  -1.784  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        7.236  -0.300  -0.513  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        3.753  -0.256   0.005  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.622  -0.472  -0.778  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1        7.031   0.426   2.536  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        6.748   0.401   3.510  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        7.869  -0.112   2.352  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.278  -0.628  -1.252  0.00  0.00    +0.150 C 
ATOM     22  C   LIG    1       -3.566  -0.458  -0.539  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1       -4.351   0.473  -1.196  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -5.593   0.853  -0.724  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -6.078   0.249   0.449  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1       -5.279  -0.708   1.114  0.00  0.00    +0.051 A 
ATOM     27  O   LIG    1       -3.770   0.990  -2.324  0.00  0.00    -0.489 OA
ATOM     28  C   LIG    1       -4.027  -1.057   0.613  0.00  0.00    +0.132 A 
ATOM     29  F   LIG    1       -3.282  -1.963   1.256  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -2.631   0.117  -2.559  0.00  0.00    +0.256 C 
BRANCH  25  31
ATOM     31  C   LIG    1       -7.419   0.645   1.014  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -7.319   1.669   1.904  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.036  -0.371   1.678  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.300   1.057   0.062  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH   2  21
TORSDOF 4