REMARK  Name = BDB054101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.511  -0.612   0.241  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.309  -0.043   0.614  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.315   0.530   1.450  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.733  -1.037  -0.893  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.733   0.229  -0.371  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        2.119   0.329   0.305  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        3.226   0.678  -0.604  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.916   1.915  -1.335  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.574   1.892  -2.072  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.426   1.520  -1.139  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        3.591  -0.456  -1.476  0.00  0.00    +0.089 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.975  -0.333  -2.145  0.00  0.00    +0.050 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.130  -0.458  -1.178  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1        6.591   0.661  -0.472  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.652   0.544   0.429  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.255  -0.695   0.630  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        9.562  -0.841   1.740  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        7.806  -1.818  -0.061  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        6.744  -1.701  -0.962  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  20
ATOM     20  C   LIG    1       -2.561  -0.705   1.375  0.00  0.00    +0.164 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.312   0.826   0.570  0.00  0.00    +0.230 C 
ATOM     22  N   LIG    1       -3.853  -0.469   0.733  0.00  0.00    -0.302 N 
ATOM     23  H   LIG    1       -4.088  -1.114  -0.013  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1       -3.766   1.798   1.091  0.00  0.00    -0.274 OA
BRANCH  21  25
ATOM     25  C   LIG    1       -5.535   0.952  -0.368  0.00  0.00    +0.137 C 
ATOM     26  C   LIG    1       -5.013   1.242  -1.774  0.00  0.00    +0.034 C 
BRANCH  25  28
ATOM     27  C   LIG    1       -7.588   2.266  -0.651  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -6.432   1.985   0.180  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1       -5.888   2.836   0.342  0.00  0.00    +0.122 HD
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  C   LIG    1       -2.514  -2.055   2.154  0.00  0.00    -0.011 C 
ATOM     31  C   LIG    1       -2.752  -3.274   1.242  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -3.603  -2.046   3.248  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -1.150  -2.227   2.853  0.00  0.00    +0.013 C 
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 9