REMARK  Name = BDB011145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.869   0.700   0.095  0.00  0.00    +0.221 A 
ATOM      2  C   LIG    1       -0.625   1.004  -0.441  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.390   2.348  -0.742  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -1.372   3.319  -0.502  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.130   4.665  -0.807  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.106   5.627  -0.566  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.337   5.261  -0.018  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.589   3.900   0.292  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.846   3.574   0.843  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -5.819   4.547   1.081  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.557   5.876   0.772  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.324   6.231   0.226  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.606   2.915   0.051  0.00  0.00    +0.082 A 
ATOM     14  N   LIG    1       -2.833   1.613   0.342  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  15
ATOM     15  O   LIG    1       -2.125  -0.630   0.371  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.416  -0.858   0.943  0.00  0.00    +0.231 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.568  -2.352   1.228  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.539  -3.193  -0.051  0.00  0.00    +0.003 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.706  -5.518  -1.010  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.729  -4.678   0.258  0.00  0.00    -0.003 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1        0.450  -0.032  -0.680  0.00  0.00    +0.161 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.055  -1.056  -1.543  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -0.858  -1.411  -1.119  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        0.984  -0.633   0.635  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.267  -1.333   0.432  0.00  0.00    -0.099 C 
ATOM     26  C   LIG    1        3.311  -1.904   0.271  0.00  0.00    -0.102 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.583  -2.611   0.067  0.00  0.00    +0.089 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.748  -1.629  -0.025  0.00  0.00    +0.024 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.068  -2.357  -0.243  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.210  -1.378  -0.296  0.00  0.00    +0.307 C 
ATOM     31  O   LIG    1        8.918  -1.097   0.661  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.322  -0.846  -1.543  0.00  0.00    -0.468 OA
ATOM     33  C   LIG    1        9.377   0.109  -1.673  0.00  0.00    +0.280 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   2  21
TORSDOF 14