REMARK  Name = BDB044826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.774  -0.142   1.390  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        0.464   0.396   1.196  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.211   0.135   2.381  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.544   0.503   2.603  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -2.244   1.158   1.573  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.560   1.443   0.379  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        0.698  -0.504   3.177  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        0.560  -0.841   4.123  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -0.223   1.069   0.170  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        1.897  -0.695   2.606  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.683   1.585   1.754  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.808   1.022   0.908  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -4.664   0.003  -0.187  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -5.570   0.342  -1.206  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -5.711  -0.382  -2.372  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.904  -1.509  -2.522  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.995  -1.880  -1.516  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -6.280   1.487  -0.837  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -7.001   1.931  -1.384  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -3.875  -1.127  -0.342  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.897   1.945   0.410  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -6.338   2.907   1.016  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -4.705   0.642   2.357  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        4.057  -0.614   0.600  0.00  0.00    +0.011 C 
ATOM     25  C   LIG    1        2.827  -0.102   0.416  0.00  0.00    +0.031 C 
BRANCH  24  30
ATOM     26  C   LIG    1        8.291  -0.429  -3.258  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        7.188  -0.496  -2.246  0.00  0.00    +0.038 A 
ATOM     28  N   LIG    1        6.354   0.566  -2.163  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        5.359   0.503  -1.245  0.00  0.00    +0.119 A 
ATOM     30  C   LIG    1        5.128  -0.580  -0.401  0.00  0.00    -0.007 A 
ATOM     31  C   LIG    1        6.015  -1.652  -0.500  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        7.052  -1.616  -1.432  0.00  0.00    +0.023 A 
ENDBRANCH  24  30
ENDBRANCH   1  25
TORSDOF 3