REMARK  Name = BDB054942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.990   0.764   0.186  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.731   2.134   0.013  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.593   2.459  -0.287  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.866   3.809  -0.447  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.032   4.826  -0.345  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.300   4.475  -0.074  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.559   1.540  -0.422  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.207   0.253  -0.273  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.696   3.164   0.112  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.033  -0.164   0.030  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.252  -0.772  -0.450  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.599  -0.425  -0.628  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.546  -1.425  -0.789  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.255  -2.740  -0.787  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.959  -3.070  -0.621  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        1.944  -2.141  -0.451  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -2.300   0.347   0.514  0.00  0.00    -0.327 N 
ATOM     18  H   LIG    1       -2.585   0.843   1.355  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.502  -1.097   0.669  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.630  -1.815  -0.690  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.949  -3.242  -0.557  0.00  0.00    -0.329 NA
ATOM     22  H   LIG    1       -2.230  -3.701   0.001  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1       -3.825  -3.352  -0.048  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5