REMARK  Name = BDB016674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.063   1.456  -0.949  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1       -0.986   1.170  -0.019  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.112   1.782  -0.556  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -3.376   1.735   0.046  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -3.526   1.026   1.253  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.387   0.435   1.821  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -1.683   2.384  -1.704  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -2.233   2.929  -2.357  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1       -1.125   0.495   1.209  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1       -0.377   2.221  -1.958  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.875   0.949   1.931  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -6.061   0.254   1.295  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -6.070  -0.429  -0.044  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -7.317  -0.181  -0.641  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -7.676  -0.661  -1.884  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.734  -1.433  -2.564  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.480  -1.706  -1.989  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -8.100   0.593   0.218  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -9.044   0.896   0.038  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -5.146  -1.208  -0.724  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -7.433   0.882   1.395  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -7.848   1.522   2.346  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -5.391  -0.362   2.489  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        1.912  -0.083  -0.334  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.436   1.050  -0.879  0.00  0.00    +0.031 C 
BRANCH  24  29
ATOM     26  C   LIG    1        6.051  -1.227  -0.222  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.204  -1.451   0.872  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.860  -1.068   0.825  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.336  -0.445  -0.313  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1        4.174  -0.239  -1.415  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        5.518  -0.623  -1.368  0.00  0.00    +0.005 A 
BRANCH  26  32
ATOM     32  C   LIG    1        7.507  -1.643  -0.171  0.00  0.00    +0.119 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.251  -0.285   1.725  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        8.468  -0.649   0.329  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        8.566   0.536  -0.515  0.00  0.00    +0.104 C 
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  24  29
ENDBRANCH   1  25
TORSDOF 5