REMARK  Name = BDB002385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.391  -1.314  -0.051  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.122  -2.466  -0.758  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.174  -3.472  -0.253  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -0.607  -4.769  -0.943  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.192  -4.281  -2.263  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.910  -3.004  -1.859  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.778  -1.069   0.996  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.284  -3.068  -0.592  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1        1.675  -1.915   0.071  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.965  -1.495   0.675  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.985  -3.737  -1.348  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.893  -1.220  -0.036  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.033  -0.058   0.728  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.211   0.712   0.668  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.271   0.321  -0.170  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1        6.412   1.027  -0.268  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        6.543   2.156   0.469  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.553   2.606   1.332  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        7.836   2.905   0.346  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        5.117  -0.838  -0.916  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        4.373   1.877   1.428  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        3.947  -1.609  -0.857  0.00  0.00    +0.025 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1       -2.420  -0.313  -0.624  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.480   0.689   0.350  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1       -3.211   0.173   0.502  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1       -2.735   0.407   1.372  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1       -5.088   0.660  -0.716  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1       -5.075   1.233   1.667  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1       -6.369   2.010   1.433  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1       -3.660   3.246   1.833  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -4.053   1.980   2.446  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1       -4.439   2.181   3.369  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1       -1.758   0.863  -1.389  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -1.171   0.424  -2.731  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -0.684   1.599  -0.579  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7