REMARK  Name = BDB054465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.669  -2.169   0.031  0.00  0.00    +0.106 A 
ATOM      2  N   LIG    1       -1.937  -3.342  -0.072  0.00  0.00    -0.344 N 
ATOM      3  C   LIG    1       -2.488  -4.666  -0.272  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -0.594  -3.077   0.010  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -0.438  -1.732   0.212  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -1.734  -1.166   0.252  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.130  -0.126  -1.614  0.00  0.00    +0.162 C 
ATOM      8  N   LIG    1       -4.754  -1.094  -0.707  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1       -4.121  -2.129  -0.024  0.00  0.00    +0.264 C 
ATOM     10  O   LIG    1       -4.798  -3.024   0.484  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -6.171  -1.247  -1.011  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -6.522  -0.064  -1.893  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1       -5.226   0.177  -2.651  0.00  0.00    +0.033 C 
BRANCH   7  16
ATOM     14  C   LIG    1       -4.778   1.168   1.118  0.00  0.00    +0.131 C 
ATOM     15  N   LIG    1       -4.044   1.842   0.060  0.00  0.00    -0.306 N 
ATOM     16  C   LIG    1       -3.559   1.222  -1.089  0.00  0.00    +0.236 C 
ATOM     17  O   LIG    1       -2.729   1.801  -1.805  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1       -3.420   3.100   0.447  0.00  0.00    +0.131 C 
ENDBRANCH   7  16
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  N   LIG    1        0.700  -1.028   0.360  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        0.671  -0.022   0.469  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.048  -1.400   0.358  0.00  0.00    +0.221 A 
ATOM     22  N   LIG    1        2.904  -0.371   0.512  0.00  0.00    -0.195 NA
ATOM     23  C   LIG    1        4.193  -0.746   0.507  0.00  0.00    +0.164 A 
ATOM     24  C   LIG    1        4.674  -2.032   0.368  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        6.072  -1.904   0.429  0.00  0.00    +0.146 A 
ATOM     26  N   LIG    1        6.466  -0.637   0.594  0.00  0.00    -0.177 NA
ATOM     27  C   LIG    1        3.726  -3.028   0.218  0.00  0.00    +0.127 A 
ATOM     28  N   LIG    1        5.299   0.055   0.637  0.00  0.00    -0.243 N 
ATOM     29  N   LIG    1        2.414  -2.694   0.215  0.00  0.00    -0.222 NA
BRANCH  28  30
ATOM     30  C   LIG    1        5.299   1.490   0.806  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1        5.950   1.973   2.119  0.00  0.00    +0.030 C 
ATOM     32  C   LIG    1        6.440   3.365   1.823  0.00  0.00    -0.006 C 
ATOM     33  C   LIG    1        6.496   3.540   0.341  0.00  0.00    -0.006 C 
ATOM     34  C   LIG    1        5.569   4.402   1.160  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        6.042   2.260  -0.307  0.00  0.00    +0.030 C 
ENDBRANCH  28  30
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5