REMARK  Name = BDB034179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.068   1.152  -1.232  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -0.994   1.780  -2.030  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1       -2.355   1.684  -1.315  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1       -2.623   0.305  -0.763  0.00  0.00    -0.037 C 
ATOM      5  C   LIG    1       -1.623  -0.592  -0.682  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.200  -0.286  -1.065  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.994  -0.041  -0.341  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -4.278  -0.600   0.912  0.00  0.00    +0.221 A 
ATOM      9  F   LIG    1       -3.272  -0.819   1.775  0.00  0.00    -0.183 F 
ATOM     10  N   LIG    1       -5.514  -0.930   1.348  0.00  0.00    -0.214 NA
ATOM     11  C   LIG    1       -6.536  -0.698   0.496  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1       -6.373  -0.146  -0.770  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.084   0.184  -1.189  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.902  -1.075   0.979  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.906  -0.154   0.715  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.635   0.792   0.479  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1      -10.226  -0.354   1.260  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.096  -2.130   1.572  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.384   1.389  -1.842  0.00  0.00    +0.120 C 
BRANCH  19  26
ATOM     20  N   LIG    1        6.677  -1.093   1.049  0.00  0.00    -0.261 N 
ATOM     21  C   LIG    1        5.827  -0.111   1.560  0.00  0.00    +0.264 A 
ATOM     22  O   LIG    1        5.984   0.436   2.649  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.684   0.283   0.714  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        4.551  -0.302  -0.539  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        3.487   0.048  -1.373  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        2.540   0.992  -0.945  0.00  0.00    -0.031 A 
ATOM     27  C   LIG    1        2.684   1.578   0.324  0.00  0.00    +0.006 A 
ATOM     28  N   LIG    1        5.490  -1.236  -0.967  0.00  0.00    -0.307 N 
ATOM     29  H   LIG    1        5.420  -1.660  -1.882  0.00  0.00    +0.170 HD
ATOM     30  C   LIG    1        3.751   1.226   1.152  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        6.557  -1.642  -0.217  0.00  0.00    +0.330 A 
ATOM     32  O   LIG    1        7.345  -2.456  -0.697  0.00  0.00    -0.246 OA
BRANCH  20  34
ATOM     33  C   LIG    1        9.033  -0.616   1.604  0.00  0.00    +0.027 C 
ATOM     34  C   LIG    1        7.817  -1.495   1.863  0.00  0.00    +0.126 C 
ENDBRANCH  20  34
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5