REMARK  Name = BDB061201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.825  -0.281  -0.764  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        2.357   0.917  -0.211  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        1.034   0.997   0.234  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.549   2.280   0.744  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        1.280   3.345   0.850  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        2.573   3.250   0.453  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        3.139   4.089   0.547  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1        0.191  -0.115   0.159  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1        0.631  -1.267  -0.382  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        3.189   2.135  -0.067  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        4.377   2.167  -0.364  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        1.909  -1.327  -0.827  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        5.511  -0.549   0.842  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1        5.321  -0.661  -0.585  0.00  0.00    -0.267 N 
ATOM     15  C   LIG    1        4.159  -0.517  -1.312  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        4.538  -0.705  -2.630  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        5.915  -0.976  -2.588  0.00  0.00    +0.135 A 
ATOM     18  N   LIG    1        6.389  -0.987  -1.344  0.00  0.00    -0.179 NA
ENDBRANCH   1  15
BRANCH   8  19
ATOM     19  N   LIG    1       -1.136  -0.048   0.612  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.155   0.240   1.588  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.907  -1.280   0.446  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.317  -1.034   0.906  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.227  -0.298   0.153  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.082   0.310  -1.191  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.343   1.175  -1.208  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.300   0.634  -0.268  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.526  -0.092   0.600  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.981  -0.596   1.801  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.081  -1.319   2.583  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.768  -1.527   2.137  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -2.931  -2.221   2.921  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4