REMARK  Name = BDB061185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.375  -0.035  -0.996  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1        1.926   1.038  -0.162  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.670   0.931   0.387  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.481   2.079   1.100  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.548   2.840   1.014  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.180  -0.162   0.176  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.219  -1.130  -0.603  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.457   2.188   0.211  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.477  -1.035  -1.163  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.711  -0.148  -3.092  0.00  0.00    +0.135 C 
ATOM     11  N   LIG    1        3.634  -0.040  -1.629  0.00  0.00    -0.299 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.828   0.364  -0.969  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        5.002   0.119   0.402  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        6.183   0.495   1.027  0.00  0.00    +0.112 A 
ATOM     15  N   LIG    1        7.213   1.088   0.394  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        7.039   1.329  -0.919  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        5.894   0.989  -1.629  0.00  0.00    +0.043 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.416  -0.178   0.789  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.521   0.357   1.644  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.238  -1.378   0.778  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.610  -1.045   1.286  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.520  -0.303   0.539  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.370   0.330  -0.794  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.833   0.684  -1.065  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.538   0.770   0.195  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.772   0.019   1.047  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.178  -0.372   2.307  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.286  -1.123   3.073  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.022  -1.449   2.562  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.184  -2.155   3.337  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5