REMARK  Name = BDB023026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.446  -0.506   0.270  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.131  -1.729  -0.586  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.245  -2.091  -0.051  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.883  -0.709   0.151  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.201   0.215   0.442  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.917  -0.644   1.311  0.00  0.00    +0.183 C 
ATOM      7  C   LIG    1       -2.891   0.520   1.141  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -3.913   0.530   0.164  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -4.736   1.668   0.045  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.560   2.769   0.881  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.562   2.763   1.846  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -5.585   4.140   0.716  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.190  -0.620  -0.787  0.00  0.00    +0.198 C 
ATOM     14  O   LIG    1       -3.511  -1.844  -0.508  0.00  0.00    -0.349 OA
ATOM     15  C   LIG    1       -3.678  -2.236   0.842  0.00  0.00    +0.324 C 
ATOM     16  C   LIG    1       -2.732   1.648   1.972  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -2.541  -1.897   1.613  0.00  0.00    -0.344 OA
ENDBRANCH   4   6
BRANCH   1  22
ATOM     18  C   LIG    1        5.915   1.028  -0.760  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        4.517   1.130  -0.757  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        3.549   2.062  -1.226  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        2.302   1.567  -0.906  0.00  0.00    +0.091 A 
ATOM     22  N   LIG    1        2.476   0.367  -0.258  0.00  0.00    -0.303 N 
ATOM     23  C   LIG    1        3.818   0.092  -0.157  0.00  0.00    +0.148 A 
ATOM     24  N   LIG    1        4.349  -0.999   0.426  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        5.692  -0.982   0.360  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        6.492  -0.050  -0.194  0.00  0.00    -0.220 NA
BRANCH  18  27
ATOM     27  N   LIG    1        6.753   1.973  -1.335  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.345   2.477  -2.111  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.674   1.580  -1.490  0.00  0.00    +0.144 HD
ENDBRANCH  18  27
ENDBRANCH   1  22
BRANCH   2  30
ATOM     30  O   LIG    1        1.005  -1.425  -1.986  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        0.426  -2.130  -2.343  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -0.923  -2.910  -1.006  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -1.884  -2.761  -0.888  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5