REMARK  Name = BDB001371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.324  -1.224  -0.105  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -1.570  -0.693  -0.662  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -2.649  -1.514  -0.367  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -3.794  -1.429  -0.771  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -2.172  -2.580   0.517  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.888  -3.603   1.111  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.178  -4.506   1.904  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.789  -4.369   2.079  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.086  -3.328   1.463  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.797  -2.432   0.677  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.690  -1.649  -1.183  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.327  -2.549  -2.208  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.247  -2.942  -3.182  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.549  -2.452  -3.151  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.934  -1.570  -2.145  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.015  -1.175  -1.169  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1        0.278  -0.259   0.768  0.00  0.00    -0.346 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.508   0.212   1.868  0.00  0.00    +0.182 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.380   1.083   2.754  0.00  0.00    +0.132 C 
BRANCH  19  22
ATOM     20  C   LIG    1        2.145   4.300   1.859  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        1.577   3.222   2.739  0.00  0.00    +0.210 C 
ATOM     22  N   LIG    1        0.863   2.262   2.063  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        0.930   2.213   1.050  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.725   3.227   3.957  0.00  0.00    -0.276 OA
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  25
ATOM     25  C   LIG    1       -1.634   0.247  -1.769  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.007   1.592  -1.508  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.689   2.553  -0.747  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -1.142   3.821  -0.551  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        0.091   4.142  -1.114  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.785   3.192  -1.860  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.239   1.923  -2.057  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 7