REMARK  Name = BDB051524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.395  -0.152   0.037  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1        1.125  -0.180  -1.162  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1        2.515  -0.084  -1.194  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        3.239   0.110  -0.010  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1        2.511   0.229   1.186  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.110   0.115   1.203  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.711   0.216  -0.082  0.00  0.00    +0.110 A 
ATOM      8  S   LIG    1        5.704   0.093   1.321  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        7.115   0.294   0.362  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.737   0.437  -0.972  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        7.741   0.615  -1.946  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        9.085   0.646  -1.562  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        9.439   0.501  -0.225  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        8.463   0.323   0.760  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        5.375   0.387  -1.209  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.017  -0.263  -0.026  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -1.254  -0.860  -0.819  0.00  0.00    +0.154 HD
BRANCH  16  26
ATOM     18  C   LIG    1       -6.106  -0.229   0.438  0.00  0.00    +0.164 A 
ATOM     19  C   LIG    1       -5.264   0.152  -0.618  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -3.881   0.053  -0.452  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -3.319  -0.425   0.761  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.170  -0.787   1.812  0.00  0.00    +0.080 A 
ATOM     23  N   LIG    1       -3.716  -1.228   2.988  0.00  0.00    -0.235 NA
ATOM     24  C   LIG    1       -2.390  -1.307   3.131  0.00  0.00    +0.223 A 
ATOM     25  N   LIG    1       -1.479  -0.997   2.206  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1       -1.938  -0.565   1.019  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1       -5.543  -0.688   1.634  0.00  0.00    +0.078 A 
BRANCH  18  29
ATOM     28  C   LIG    1       -8.339  -0.492   1.253  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -7.454  -0.113   0.208  0.00  0.00    -0.491 OA
ENDBRANCH  18  29
BRANCH  19  30
ATOM     30  O   LIG    1       -5.883   0.599  -1.756  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.067   1.063  -2.822  0.00  0.00    +0.277 C 
ENDBRANCH  19  30
ENDBRANCH  16  26
ENDBRANCH   1  16
BRANCH   2  32
ATOM     32  O   LIG    1        0.466  -0.271  -2.361  0.00  0.00    -0.505 OA
ATOM     33  H   LIG    1       -0.276   0.355  -2.288  0.00  0.00    +0.292 HD
ENDBRANCH   2  32
TORSDOF 6