REMARK  Name = BDB049363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.575  -0.502   0.646  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1        2.698  -1.416   1.245  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.360  -1.043   1.463  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.344  -1.773   2.019  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.725  -1.000   1.986  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -0.412   0.233   1.450  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        0.917   0.216   1.087  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.757   1.152   0.478  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.088   0.765   0.265  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        8.042   0.079  -1.095  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        6.890  -0.522  -0.395  0.00  0.00    +0.149 A 
ATOM     12  N   LIG    1        5.709   0.086  -0.307  0.00  0.00    -0.150 NA
ATOM     13  N   LIG    1        4.949  -0.807   0.390  0.00  0.00    -0.217 N 
ATOM     14  C   LIG    1        5.749  -1.899   0.722  0.00  0.00    +0.130 A 
ATOM     15  C   LIG    1        5.368  -3.073   1.539  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1        6.958  -1.732   0.218  0.00  0.00    -0.216 NA
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -1.298   1.375   1.297  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.039   1.353  -0.046  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.951   2.498  -0.226  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -3.812   2.315  -1.419  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -3.295   3.049  -2.666  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -3.184   4.467  -2.481  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -2.992   4.843  -1.111  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -2.217   3.782  -0.315  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -2.085  -1.418   2.458  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.567  -2.705   1.778  0.00  0.00    +0.043 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.971  -2.500   0.336  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.287  -2.149   0.007  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -4.651  -1.940  -1.325  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.703  -2.074  -2.338  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.391  -2.420  -2.021  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.026  -2.633  -0.691  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7