REMARK  Name = BDB036196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.488   0.152  -1.679  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.725   0.757  -2.217  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.790   1.165  -1.171  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -3.168   0.022  -0.324  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.182  -1.068  -0.219  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.746  -0.517  -0.381  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.420  -0.074   0.256  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.970  -1.280   0.711  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -6.187  -1.437   1.293  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.933  -0.322   1.449  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -6.500   0.933   1.046  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -5.240   1.045   0.450  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -8.274  -0.504   2.094  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1       -8.505  -1.375   2.924  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1       -9.281   0.344   1.696  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1       -9.236   0.819   0.805  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1      -10.202   0.087   2.030  0.00  0.00    +0.145 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.592   1.147  -1.563  0.00  0.00    +0.122 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.391  -0.766   0.612  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1        5.878   0.318   1.565  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1        6.540   0.672   2.528  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1        4.650   0.842   1.256  0.00  0.00    -0.317 N 
ATOM     23  H   LIG    1        4.272   1.560   1.861  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        3.925   0.406   0.141  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1        4.469  -0.587  -0.682  0.00  0.00    +0.090 A 
ATOM     26  C   LIG    1        3.739  -1.012  -1.793  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1        2.486  -0.458  -2.079  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        1.937   0.533  -1.251  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.676   0.959  -0.145  0.00  0.00    +0.153 A 
ATOM     30  F   LIG    1        2.183   1.913   0.662  0.00  0.00    -0.203 F 
ATOM     31  N   LIG    1        5.724  -1.169  -0.432  0.00  0.00    -0.245 NA
BRANCH  19  33
ATOM     32  C   LIG    1        8.848  -0.459   0.361  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        7.750  -1.352   0.908  0.00  0.00    +0.057 C 
ENDBRANCH  19  33
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5