REMARK  Name = BDB007868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.236  -0.204   1.721  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -0.972  -0.225   0.773  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -1.463  -1.211   0.246  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.409   1.094   0.581  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.407   2.021   1.045  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.312   1.269   2.145  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.808  -1.791  -0.008  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        2.947  -0.897  -0.906  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        1.934  -0.065  -0.104  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        1.475  -0.729   1.115  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        1.465  -2.185   0.986  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        2.897  -2.715   0.828  0.00  0.00    +0.027 C 
BRANCH   7  14
ATOM     13  O   LIG    1        4.679  -0.923   2.094  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1        4.757  -0.958   0.867  0.00  0.00    +0.166 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.841  -0.152   0.221  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        6.400   0.908   0.952  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        7.415   1.694   0.402  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.881   1.420  -0.881  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        9.129   2.386  -1.565  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        7.342   0.364  -1.615  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        6.325  -0.425  -1.064  0.00  0.00    +0.013 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1       -2.235   1.422  -0.574  0.00  0.00    +0.182 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.663   0.904  -0.443  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1       -4.171   0.861   0.827  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1       -3.567   1.050   1.613  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -5.430   0.419   1.099  0.00  0.00    +0.257 A 
ATOM     27  O   LIG    1       -5.869   0.343   2.240  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.229   0.057  -0.083  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1       -7.624  -0.432   0.128  0.00  0.00    +0.202 C 
ATOM     30  O   LIG    1       -8.186  -1.013  -1.060  0.00  0.00    -0.375 OA
ATOM     31  C   LIG    1       -7.940  -0.209  -2.216  0.00  0.00    +0.166 C 
ATOM     32  C   LIG    1       -6.444  -0.169  -2.521  0.00  0.00    +0.084 C 
ATOM     33  C   LIG    1       -5.649   0.176  -1.288  0.00  0.00    +0.056 A 
ATOM     34  N   LIG    1       -4.360   0.611  -1.495  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5