REMARK  Name = BDB051712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.327   2.158   1.784  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -3.098   1.185   1.046  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.633   0.122   0.330  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.278  -0.338   0.096  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.106  -1.349  -0.838  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.253  -1.878  -1.664  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.644  -1.756  -0.991  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.196  -1.742  -1.006  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.221  -1.216  -0.309  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.942  -0.252   0.582  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -0.289   0.223   0.808  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.749  -0.509  -0.182  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.859   0.245   0.271  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -4.448   1.294   1.018  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.285  -0.012   0.022  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.713  -0.959  -0.630  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -7.123   0.905   0.591  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -6.715   1.642   1.155  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.121   0.790   0.516  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        1.939   0.330   1.340  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        1.548   1.184   1.720  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.299   0.448   0.826  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        3.373   1.139  -0.540  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1        4.820   1.394  -0.967  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.797   0.303  -0.523  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1        5.100  -1.022  -0.241  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        4.066  -0.885   0.878  0.00  0.00    +0.022 C 
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 3