REMARK  Name = BDB034475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.344  -1.490   0.638  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.216  -2.253  -0.058  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1        1.040  -1.507  -0.012  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1        1.312  -1.351   0.959  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1        2.115  -2.239  -0.682  0.00  0.00    +0.116 C 
BRANCH   5   9
ATOM      6  C   LIG    1        5.823  -0.022  -0.411  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        5.638  -1.187   0.345  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.442  -1.906   0.259  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        3.415  -1.474  -0.590  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        3.601  -0.303  -1.341  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.796   0.417  -1.255  0.00  0.00    +0.015 A 
BRANCH   6  12
ATOM     12  C   LIG    1        7.115   0.704  -0.279  0.00  0.00    +0.339 C 
ATOM     13  O   LIG    1        8.021   0.340   0.456  0.00  0.00    -0.245 OA
BRANCH  12  15
ATOM     14  C   LIG    1        8.348   2.551  -1.002  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        7.135   1.801  -1.076  0.00  0.00    -0.464 OA
ENDBRANCH  12  15
ENDBRANCH   6  12
ENDBRANCH   5   9
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.654  -0.152  -0.038  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.811   0.483   0.595  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.651   1.477   0.743  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.131   0.245   0.170  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -5.207   0.980   0.749  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -6.523   0.696   0.306  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -7.591   1.408   0.831  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -7.401   2.388   1.800  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1       -6.128   2.672   2.268  0.00  0.00    +0.021 A 
ATOM     25 CL   LIG    1       -8.754   3.246   2.430  0.00  0.00    -0.083 Cl
ATOM     26  N   LIG    1       -6.798  -0.247  -0.604  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -5.771  -0.965  -1.092  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -5.039   1.972   1.748  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1       -4.450  -0.770  -0.734  0.00  0.00    +0.043 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9