@<TRIPOS>MOLECULE
BindingDB_8043
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.7237   41.5890   11.5796  C     
2    C        12.3536   42.5957   13.6241  C     
3    C        13.3270   43.5227   13.1675  C     
4    N        12.0592   41.5853   12.7547  N     
5    C        12.5273   40.6467   10.4738  C     
6    C        11.6091   42.6588   14.9015  C     
7    S        13.7684   42.9530   11.5998  S     
8    C        13.9177   44.6835   13.7364  C     
9    C        13.4967   45.2946   14.9433  C     
10   C        14.1999   46.4118   15.4145  C     
11   C        15.6346   46.3506   13.5166  C     
12   N        14.9652   45.2569   13.0640  N     
13   N        15.2357   46.9005   14.6910  N     
14   N        16.6946   46.9188   12.8924  N     
15   C        17.3216   46.5896   11.7210  C     
16   C        19.2598   46.9657   10.2575  C     
17   C        18.5321   47.2625   11.4265  C     
18   C        16.8463   45.6249   10.7962  C     
19   C        17.5669   45.3346    9.6182  C     
20   C        18.7799   45.9998    9.3477  C     
21   Cl       19.6613   45.6329    7.9442  Cl    
22   H        12.7696   39.6394   10.8096  H     
23   H        13.1727   40.8964    9.6249  H     
24   H        11.4855   40.6719   10.1499  H     
25   H        12.3043   42.6598   15.7463  H     
26   H        10.9351   41.7993   15.0175  H     
27   H        10.9984   43.5645   14.9309  H     
28   H        12.6991   44.9709   15.4929  H     
29   H        13.9250   46.8581   16.2957  H     
30   H        17.1142   47.6406   13.3879  H     
31   H        20.1440   47.4446   10.0808  H     
32   H        18.8950   47.9720   12.0678  H     
33   H        15.9681   45.1259   10.9684  H     
34   H        17.2054   44.6393    8.9611  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24    5   22 1
    25    5   23 1
    26    5   24 1
    27    6   25 1
    28    6   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   14   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3040
  Crash		| -3.6556
  Polar		| 1.8835
  FragIndex	| 1
  FragRMSD	| 0.061