@<TRIPOS>MOLECULE
BindingDB_29036
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.6800   34.8685   38.2118  C     
2    C        38.1593   33.6940   38.8027  C     
3    C        38.6268   32.6225   38.0088  C     
4    C        38.5183   32.7257   36.5979  C     
5    C        38.0130   33.9026   36.0066  C     
6    C        37.6154   35.0036   36.8099  C     
7    C        39.2083   31.5074   38.6774  C     
8    N        37.1788   36.2261   36.3916  N     
9    C        37.3746   36.8773   35.2568  C     
10   C        36.9996   38.1841   35.2022  C     
11   O        37.9289   36.3609   34.2940  O     
12   C        37.3617   39.0918   36.1522  C     
13   C        36.2193   38.5023   34.2445  C     
14   N        35.5364   38.7795   33.3543  N     
15   C        36.8408   40.4564   36.2417  C     
16   O        38.2658   38.7720   37.0769  O     
17   C        38.6527   30.2026   38.6506  C     
18   C        39.0697   29.2589   39.6269  C     
19   C        40.0889   29.5849   40.5426  C     
20   C        40.7089   30.8362   40.4966  C     
21   C        40.2678   31.7933   39.5768  C     
22   Cl       38.3510   27.7413   39.8370  Cl    
23   Cl       37.5089   29.7886   37.4604  Cl    
24   H        37.4076   35.6443   38.8329  H     
25   H        38.1883   33.6454   39.8254  H     
26   H        38.8512   31.9600   35.9940  H     
27   H        37.9380   33.9457   34.9885  H     
28   H        36.7533   36.7599   37.0846  H     
29   H        37.1516   41.0184   35.3518  H     
30   H        37.2215   40.9711   37.1318  H     
31   H        35.7452   40.4306   36.3039  H     
32   H        39.1079   38.7022   36.5703  H     
33   H        40.3901   28.9107   41.2506  H     
34   H        41.4489   31.0745   41.1545  H     
35   H        40.6873   32.7269   39.6063  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6    8 1
     9    7   17 2
    10    7   21 1
    11    8    9 am
    12    9   10 1
    13    9   11 2
    14   10   12 2
    15   10   13 1
    16   12   15 1
    17   12   16 1
    18   13   14 3
    19   17   18 1
    20   17   23 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25    1   24 1
    26    2   25 1
    27    4   26 1
    28    5   27 1
    29    8   28 1
    30   15   29 1
    31   15   30 1
    32   15   31 1
    33   16   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.7747
  Crash		| -8.6734
  Polar		| 4.3434
  FragIndex	| 1
  FragRMSD	| 0.647