REMARK  Name = BDB058335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.931   0.584   0.207  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1       -2.525   0.275  -0.123  0.00  0.00    -0.309 N 
ATOM      3  C   LIG    1       -1.615   1.328  -0.422  0.00  0.00    +0.018 C 
ATOM      4  C   LIG    1       -2.161   2.736  -0.610  0.00  0.00    +0.052 C 
ATOM      5  C   LIG    1       -1.094   3.817  -0.493  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1        0.092   3.501  -1.377  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        0.643   2.133  -1.063  0.00  0.00    +0.162 C 
ATOM      8  O   LIG    1        1.827   1.874  -1.288  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1       -0.292   1.077  -0.569  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1        0.294  -0.302  -0.331  0.00  0.00    +0.092 C 
ATOM     11  C   LIG    1       -0.781  -1.373  -0.364  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -0.317  -2.786  -0.511  0.00  0.00    +0.162 C 
ATOM     13  C   LIG    1       -1.338  -3.889  -0.396  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1       -2.650  -3.449  -1.008  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -3.150  -2.167  -0.351  0.00  0.00    +0.052 C 
ATOM     16  O   LIG    1        0.873  -3.047  -0.676  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -2.097  -1.073  -0.268  0.00  0.00    +0.018 C 
ENDROOT
BRANCH  10  18
ATOM     18  C   LIG    1        1.090  -0.335   0.986  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.499  -0.390   0.991  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        3.191  -0.456   2.207  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.499  -0.429   3.420  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        1.113  -0.337   3.423  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.260  -0.288   4.915  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        0.410  -0.289   2.222  0.00  0.00    +0.028 A 
BRANCH  19  25
ATOM     25  O   LIG    1        3.107  -0.380  -0.235  0.00  0.00    -0.480 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.503  -0.109  -0.278  0.00  0.00    +0.349 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.912   0.230  -1.700  0.00  0.00    +0.343 C 
ATOM     28  O   LIG    1        6.015  -0.027  -2.166  0.00  0.00    -0.247 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.975   0.911  -2.400  0.00  0.00    -0.478 OA
ATOM     30  H   LIG    1        3.156   1.088  -1.865  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  10  18
TORSDOF 5