REMARK  Name = BDB030735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.179  -0.747  -0.076  0.00  0.00    +0.056 C 
ATOM      2  N   LIG    1       -2.183   0.041   0.666  0.00  0.00    -0.333 N 
ATOM      3  H   LIG    1       -1.564  -0.576   1.189  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1       -1.584   1.219   0.215  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1       -0.096   1.301   0.234  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.542   2.531   0.004  0.00  0.00    +0.054 A 
ATOM      7  N   LIG    1       -0.233   3.676  -0.332  0.00  0.00    -0.308 N 
ATOM      8  C   LIG    1       -1.608   3.603  -0.503  0.00  0.00    +0.295 A 
ATOM      9  O   LIG    1       -2.284   4.552  -0.907  0.00  0.00    -0.264 OA
ATOM     10  C   LIG    1        0.419   4.951  -0.591  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.944   2.598   0.074  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        2.714   1.459   0.328  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        2.110   0.221   0.513  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        0.709   0.159   0.451  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -2.286   2.308  -0.169  0.00  0.00    +0.207 A 
ATOM     16  O   LIG    1       -3.674   2.350  -0.169  0.00  0.00    -0.485 OA
ATOM     17  C   LIG    1       -4.266   1.380  -1.027  0.00  0.00    +0.231 C 
ATOM     18  C   LIG    1       -4.470   0.057  -0.302  0.00  0.00    +0.068 C 
ATOM     19  C   LIG    1       -2.562  -1.238  -1.399  0.00  0.00    +0.034 C 
ENDROOT
BRANCH  13  20
ATOM     20  N   LIG    1        2.834  -0.972   0.701  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        2.310  -1.672   1.224  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.149  -1.341   0.338  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.885  -2.267   1.101  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.188  -2.550   0.711  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.204  -3.662   1.550  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.804  -1.994  -0.356  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        6.086  -1.113  -1.075  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.782  -0.758  -0.768  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.312  -2.900   2.246  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.793  -3.401   3.155  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH  13  20
BRANCH   1  31
ATOM     31  C   LIG    1       -3.527  -1.986   0.807  0.00  0.00    +0.184 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -2.605  -3.844   1.939  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -2.330  -2.724   1.107  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 5