REMARK  Name = BDB014856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.117   4.664   1.090  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.927   3.391   1.073  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.240   2.205   0.838  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.765   2.124   0.893  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.278   0.877   0.247  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.962   0.426  -0.048  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.003  -0.771  -0.642  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.308  -1.088  -0.725  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.111  -0.129  -0.194  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.590  -0.103  -0.104  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.996   0.940   0.956  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.144   3.434   1.251  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.137   1.162   0.258  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.011   2.058   0.704  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.516   0.910   0.079  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.437   1.889   0.484  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.818   1.703   0.332  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.321   0.526  -0.231  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.410  -0.452  -0.640  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.029  -0.260  -0.487  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.754   0.342  -0.387  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.407  -0.875  -0.398  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.734  -0.599  -0.550  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.817  -1.550  -0.617  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        8.003   0.716  -0.636  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.798   1.285  -0.536  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.695  -2.342  -1.357  0.00  0.00    +0.150 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.547  -3.503  -0.424  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -3.216  -4.802  -0.757  0.00  0.00    +0.171 C 
ATOM     30  F   LIG    1       -2.519  -5.961  -0.477  0.00  0.00    -0.245 F 
ATOM     31  C   LIG    1       -3.704  -4.002   0.411  0.00  0.00    +0.045 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5