REMARK  Name = BDB018512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.541  -0.654  -2.570  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        1.354  -1.519  -2.455  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1        1.298  -2.680  -3.134  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1        2.416  -3.120  -4.004  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1        2.325  -4.192  -4.595  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        3.500  -2.255  -4.077  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1        4.640  -2.611  -4.908  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1        3.542  -1.063  -3.374  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.163  -1.186  -1.650  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.086  -1.808  -0.427  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -1.131  -1.515   0.382  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1       -1.980  -0.560  -0.057  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1       -1.822   0.121  -1.254  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1       -0.735  -0.200  -2.064  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1       -3.053  -0.181   0.720  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.309  -1.075   1.804  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.593  -0.654   2.521  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -5.880  -1.106   1.811  0.00  0.00    +0.087 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -6.079  -0.588   0.450  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1       -7.214  -1.258  -0.189  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -6.287   0.861   0.437  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   2   9
BRANCH   1  25
ATOM     22  N   LIG    1        2.590   2.140  -0.308  0.00  0.00    -0.264 N 
ATOM     23  N   LIG    1        2.935   2.814  -1.430  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        2.964   1.867  -2.372  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1        2.639   0.591  -1.866  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        2.429   0.797  -0.522  0.00  0.00    +0.117 A 
BRANCH  22  28
ATOM     27  C   LIG    1        0.860   2.974   1.234  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        2.361   2.874   0.943  0.00  0.00    +0.134 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.217   2.304   2.068  0.00  0.00    -0.023 A 
ATOM     30  C   LIG    1        4.589   2.612   2.098  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        5.417   2.105   3.101  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.889   1.277   4.087  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.534   0.953   4.068  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        2.703   1.460   3.066  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH   1  25
TORSDOF 9