REMARK  Name = BDB061193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.557   0.923   0.308  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -2.093  -0.134  -0.488  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -0.727  -0.482  -0.519  0.00  0.00    +0.127 A 
ATOM      4  N   LIG    1       -0.256  -1.562  -1.310  0.00  0.00    -0.245 NA
ATOM      5  C   LIG    1       -1.116  -2.231  -2.011  0.00  0.00    +0.181 A 
ATOM      6  C   LIG    1       -2.591  -1.928  -2.050  0.00  0.00    +0.267 A 
ATOM      7  O   LIG    1       -3.330  -2.604  -2.747  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        0.149   0.280   0.283  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1       -0.280   1.296   1.064  0.00  0.00    -0.238 NA
ATOM     10  N   LIG    1       -2.998  -0.878  -1.273  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -3.988  -0.662  -1.278  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -1.598   1.594   1.057  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -4.459  -0.279   2.282  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1       -4.875   0.770   1.288  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -3.965   1.326   0.375  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -4.453   2.300  -0.509  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -5.790   2.680  -0.467  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -6.610   2.072   0.464  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -6.184   1.131   1.332  0.00  0.00    -0.260 NA
ENDBRANCH   1  15
BRANCH   8  20
ATOM     20  N   LIG    1        1.523   0.046   0.391  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1        1.849   0.781   1.018  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.252   0.069  -0.872  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.731   0.149  -0.598  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.416  -0.852   0.086  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.907  -2.090   0.724  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.237  -2.797   0.982  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.297  -1.813   1.025  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        5.780  -0.752   0.329  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.524   0.333  -0.087  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        5.863   1.343  -0.786  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.487   1.243  -1.037  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        3.891   2.236  -1.714  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4