REMARK  Name = BDB008393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.891  -0.519  -2.121  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.111   0.391  -2.555  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.129   0.845  -3.877  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.834   0.394  -4.776  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1       -0.812   0.947  -6.407  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -1.818  -0.503  -4.372  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.846  -0.955  -3.051  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -2.267  -0.867   1.202  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -1.645   0.021   0.109  0.00  0.00    +0.111 C 
ATOM     10  N   LIG    1       -0.917  -0.910  -0.775  0.00  0.00    -0.328 N 
ATOM     11  C   LIG    1       -1.261  -2.286  -0.421  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.499  -2.184   1.079  0.00  0.00    +0.026 C 
BRANCH   8  14
ATOM     13  C   LIG    1       -2.782  -1.140   3.672  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -2.210  -0.230   2.592  0.00  0.00    +0.116 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.984   0.968   2.598  0.00  0.00    -0.392 OA
ATOM     16  H   LIG    1       -2.450   1.680   2.206  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        1.074   0.762  -1.591  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1        0.967   0.274  -0.700  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        2.118   1.650  -1.708  0.00  0.00    +0.253 C 
ATOM     20  O   LIG    1        2.382   2.315  -2.704  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.939   1.776  -0.514  0.00  0.00    +0.101 A 
ATOM     22  C   LIG    1        2.811   1.149   0.713  0.00  0.00    +0.168 A 
ATOM     23  N   LIG    1        3.875   1.612   1.500  0.00  0.00    -0.221 N 
ATOM     24  C   LIG    1        4.048   1.148   2.800  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        3.200   0.250   3.318  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        2.101  -0.175   2.410  0.00  0.00    +0.114 A 
ATOM     27  N   LIG    1        4.641   2.509   0.840  0.00  0.00    -0.173 NA
ATOM     28  N   LIG    1        1.900   0.240   1.194  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1        4.077   2.597  -0.365  0.00  0.00    +0.150 A 
ENDBRANCH  19  21
ENDBRANCH   2  17
TORSDOF 5