REMARK  Name = BDB013962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.823  -1.015   0.347  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.069  -0.158   1.272  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.432   0.636   2.076  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.454  -0.296   1.113  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.073  -1.408   0.452  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.528  -2.709   0.538  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.146  -3.773  -0.142  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.306  -3.567  -0.883  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.867  -2.297  -0.944  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.340  -3.012   1.416  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.260  -1.231  -0.276  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.958  -2.442   0.866  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.359   0.654  -0.639  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.137  -0.390   0.239  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.734  -0.366   1.062  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.562   0.969  -1.518  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.659   1.440  -0.345  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.096   2.285  -1.539  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.270  -0.372  -0.786  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.726   0.559   0.199  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.487   1.152   0.533  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.300   0.748   1.698  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.638   1.903   0.776  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -3.843   2.594   0.958  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -4.138   3.663   0.125  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1       -3.325   4.092  -0.861  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1       -2.159   3.430  -1.012  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -1.774   2.352  -0.228  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5