REMARK  Name = BDB001964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.112  -0.424  -0.676  0.00  0.00    +0.271 C 
ATOM      2  N   LIG    1       -0.935  -0.659   0.183  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -0.756  -0.657   1.179  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.044  -0.400  -1.901  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1        7.632   1.014   0.252  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1        6.789   1.117  -0.861  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        5.422   0.839  -0.750  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1        4.493   1.036  -1.948  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        3.175   0.211  -1.922  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        2.651   0.082  -0.540  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.482   0.193   0.541  0.00  0.00    +0.171 A 
ATOM     12  O   LIG    1        2.800   0.009   1.689  0.00  0.00    -0.354 OA
ATOM     13  N   LIG    1        1.464  -0.231   1.374  0.00  0.00    -0.073 NA
ATOM     14  C   LIG    1        1.382  -0.192   0.024  0.00  0.00    +0.172 A 
ATOM     15  C   LIG    1        4.896   0.472   0.511  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.732   0.374   1.622  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        7.100   0.643   1.490  0.00  0.00    +0.046 A 
BRANCH   5  19
ATOM     18  C   LIG    1        9.847   1.219   1.093  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        8.944   1.307  -0.002  0.00  0.00    -0.495 OA
ENDBRANCH   5  19
ENDBRANCH   1  14
BRANCH   2  20
ATOM     20  C   LIG    1       -2.234  -0.904  -0.174  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1       -3.135  -1.116   0.787  0.00  0.00    -0.155 NA
ATOM     22  N   LIG    1       -4.296  -1.312   0.125  0.00  0.00    -0.262 N 
ATOM     23  C   LIG    1       -4.155  -1.250  -1.239  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -5.265  -1.433  -2.204  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -2.819  -0.978  -1.453  0.00  0.00    +0.068 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -5.506  -1.601   0.890  0.00  0.00    +0.179 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.434  -0.411   0.971  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -7.751  -0.504   0.495  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -8.614   0.592   0.581  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.170   1.783   1.149  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -9.235   3.130   1.253  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -6.869   1.889   1.635  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -6.006   0.795   1.550  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 5