REMARK  Name = BDB010049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.495  -1.466   0.026  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        0.611  -0.396   0.021  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1       -0.669  -0.900   0.128  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.491  -2.271   0.151  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -1.492  -3.161   0.204  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -2.696  -2.576   0.209  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -2.964  -1.248   0.192  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -1.952  -0.362   0.166  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1        0.829  -2.603   0.100  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.631  -2.987  -2.308  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.974  -2.120  -1.276  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.584  -2.166  -1.096  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.953  -1.387  -0.114  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.741  -0.588   0.722  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.128  -0.545   0.559  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.741  -1.308  -0.434  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -3.877  -3.512   0.248  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -3.849  -4.731   0.282  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.072  -2.873   0.247  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -5.723  -3.604   0.273  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -2.190   1.010   0.181  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1       -1.595   1.467   0.863  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.575   1.451   0.292  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.129   1.704  -1.078  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -5.617   1.858  -1.277  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.911   0.645  -1.814  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  27
ATOM     27  C   LIG    1        0.953   0.996  -0.244  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.925   1.897   0.975  0.00  0.00    -0.028 A 
ATOM     29  C   LIG    1        0.916   1.427   2.299  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        0.906   2.320   3.375  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        0.907   3.692   3.141  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        0.898   4.787   4.466  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        0.920   4.180   1.839  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        0.933   3.288   0.763  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8