REMARK  Name = BDB036270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.137  -1.714  -0.541  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.646  -0.385  -0.661  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.327  -0.176  -0.314  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.051   1.146  -0.566  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.234   1.698  -1.012  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.504  -1.206   0.164  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.048  -2.428   0.253  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.220   0.732  -1.062  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -1.268  -2.647  -0.099  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.484  -0.969   1.177  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.621  -1.798  -0.069  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.515  -2.130  -0.865  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.748  -2.897  -2.015  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.038  -3.307  -2.332  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.065  -2.938  -1.483  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.886  -2.201  -0.366  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.513   3.104  -1.455  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -2.714   3.705  -0.729  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -1.740   3.073  -2.903  0.00  0.00    -0.323 NA
ATOM     20  H   LIG    1       -2.419   2.327  -3.081  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.198   3.934  -3.192  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        1.812  -0.958   0.524  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.260  -1.866   0.651  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.086  -0.155   1.713  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.566  -0.091   1.962  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.469   0.421   1.034  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.247   0.919  -0.346  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        5.609   1.565  -0.602  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        6.587   0.971   0.282  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        5.832   0.459   1.304  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.362   0.000   2.493  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        5.477  -0.500   3.447  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        4.101  -0.537   3.179  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        3.284  -1.025   4.123  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6