REMARK  Name = BDB014782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.409   4.454   2.105  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.271   3.751   1.085  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.686   2.714   0.367  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.225   2.489   0.358  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.897   1.139  -0.167  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.661   0.440  -0.253  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.845  -0.763  -0.808  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.164  -0.842  -1.070  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.832   0.286  -0.715  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.279   0.582  -0.835  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.474   2.108  -0.727  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.442   4.095   0.930  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.502   0.978   0.192  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.461   1.895   0.614  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.830   0.494   0.163  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.213  -0.704  -0.440  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.549  -1.133  -0.424  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.558  -0.388   0.205  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.171   0.819   0.807  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.835   1.249   0.788  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.957  -0.864   0.217  0.00  0.00    +0.071 A 
ATOM     22  N   LIG    1        6.348  -1.576  -0.872  0.00  0.00    -0.255 NA
ATOM     23  C   LIG    1        7.620  -2.032  -0.910  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1        8.544  -1.820   0.096  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        8.140  -1.101   1.211  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.833  -0.618   1.275  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.698  -2.057  -1.672  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.146  -3.043  -0.634  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.583  -3.103  -0.176  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.022  -4.207  -1.028  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5