REMARK  Name = BDB014180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.461   0.579   0.086  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.484  -0.023   0.864  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.687   0.228   0.235  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.478   0.987  -0.901  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.180   1.185  -0.956  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.993  -0.228   0.689  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.032  -0.936   1.848  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.239  -1.363   2.270  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.424  -1.113   1.600  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.375  -0.373   0.419  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.134   0.066  -0.049  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.567  -0.070  -0.345  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        7.798   0.326   0.125  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        8.539   0.502  -1.007  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        9.504   0.802  -1.110  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        7.823   0.241  -2.108  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        6.604  -0.100  -1.716  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        8.364   0.586   1.442  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        9.562   1.220   1.347  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        7.566   1.365   2.208  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        8.587  -0.561   2.129  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.890   0.610   0.335  0.00  0.00    +0.131 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -6.152   1.383  -0.295  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -4.778   1.181  -0.454  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.218  -0.115  -0.437  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -2.709  -0.300  -0.612  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -2.258  -1.767  -0.431  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -3.231  -2.742  -1.075  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.583  -2.640  -0.385  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1       -5.087  -1.220  -0.336  0.00  0.00    -0.044 A 
ATOM     31  C   LIG    1       -6.462  -1.009  -0.162  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -6.986   0.281  -0.138  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -5.992   3.754  -0.440  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -6.793   2.591  -0.281  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6