@<TRIPOS>MOLECULE
BindingDB_15695
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.5084   30.4241   59.4655  C     
2    C         4.7115   29.7236   58.2614  C     
3    C         5.8145   30.0402   57.4504  C     
4    C         6.7192   31.0447   57.8446  C     
5    C         6.5318   31.7505   59.0594  C     
6    C         5.4087   31.4341   59.8539  C     
7    C         8.7282   32.3733   59.9765  C     
8    C         7.1875   33.9980   59.6096  C     
9    C         8.2748   34.7276   60.1986  C     
10   C         9.4502   33.7423   60.0412  C     
11   N         7.4345   32.7053   59.4711  N     
12   O         6.1446   34.5538   59.2947  O     
13   C        10.5442   33.9305   60.9873  C     
14   O        11.0416   35.0502   61.0118  O     
15   N        11.0929   32.9024   61.6345  N     
16   C        12.2777   32.7950   62.3278  C     
17   C        13.2943   33.7785   62.4086  C     
18   C        14.5383   33.4916   63.0132  C     
19   C        14.7755   32.2229   63.5618  C     
20   C        13.7573   31.2531   63.5510  C     
21   C        12.5164   31.5480   62.9501  C     
22   Cl       15.7638   34.6604   63.0602  Cl    
23   H         3.7098   30.1940   60.0565  H     
24   H         4.0627   28.9855   57.9812  H     
25   H         5.9634   29.5384   56.5734  H     
26   H         7.5089   31.2673   57.2355  H     
27   H         5.2510   31.9229   60.7376  H     
28   H         9.2719   31.6869   59.3152  H     
29   H         8.6244   31.9186   60.9683  H     
30   H         8.4640   35.6601   59.6615  H     
31   H         8.0542   34.9348   61.2476  H     
32   H         9.8740   33.9113   59.0418  H     
33   H        10.6326   32.0576   61.5067  H     
34   H        13.1574   34.7109   62.0161  H     
35   H        15.6963   31.9928   63.9471  H     
36   H        13.9314   30.3275   63.9552  H     
37   H        11.7987   30.8221   62.9493  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    5   11 1
     8    7   10 1
     9    7   11 1
    10    8    9 1
    11    8   11 1
    12    8   12 2
    13    9   10 1
    14   10   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25    1   23 1
    26    2   24 1
    27    3   25 1
    28    4   26 1
    29    6   27 1
    30    7   28 1
    31    7   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   15   33 1
    36   17   34 1
    37   19   35 1
    38   20   36 1
    39   21   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.2561
  Crash		| -2.3088
  Polar		| 0.6705
  FragIndex	| 1
  FragRMSD	| 1.419