REMARK  Name = BDB002936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.371  -1.460  -0.763  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        0.875  -0.370   0.127  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.594  -0.723   0.106  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.328  -0.454   1.412  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1       -2.726  -0.296   1.032  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.672  -0.080   2.007  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.378  -0.070   3.201  0.00  0.00    -0.271 OA
ATOM      8  C   LIG    1       -2.871  -0.121  -0.420  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -1.432   0.033  -0.931  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1       -0.622  -2.129  -0.181  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        0.538  -2.439  -0.924  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.931  -0.433  -1.626  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        3.662  -0.453  -1.024  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        2.716  -1.423  -1.383  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.040  -2.385  -2.343  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        4.297  -2.370  -2.943  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        5.236  -1.399  -2.587  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.103   0.816  -1.677  0.00  0.00    +0.243 C 
ATOM     19  N   LIG    1        5.827   0.576  -1.204  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        5.472   1.199  -0.496  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        7.662   0.196  -2.576  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.938   2.416  -1.567  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        7.815   1.954  -0.989  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        7.320   2.513   0.308  0.00  0.00    +0.048 C 
ENDBRANCH  18  23
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  25
ATOM     25  C   LIG    1       -3.578  -1.291  -1.130  0.00  0.00    +0.231 C 
ATOM     26  O   LIG    1       -4.109  -1.165  -2.230  0.00  0.00    -0.274 OA
ATOM     27  N   LIG    1       -3.514  -2.512  -0.526  0.00  0.00    -0.328 N 
ATOM     28  H   LIG    1       -3.820  -3.299  -1.084  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.763  -2.696   0.132  0.00  0.00    +0.145 HD
ENDBRANCH   8  25
BRANCH   6  30
ATOM     30  C   LIG    1       -5.072   0.146   1.560  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -5.997   0.551   2.444  0.00  0.00    +0.005 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -7.379   0.777   2.086  0.00  0.00    -0.004 C 
ATOM     33  C   LIG    1       -8.299   1.187   2.971  0.00  0.00    -0.030 C 
ATOM     34  C   LIG    1       -9.734   1.426   2.629  0.00  0.00    +0.035 C 
ENDBRANCH  31  32
ENDBRANCH   6  30
TORSDOF 6