@<TRIPOS>MOLECULE
BindingDB_18779
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        26.4530    4.2484   61.4738  C     
2    C        26.8234    4.2089   60.1158  C     
3    C        28.0074    4.8441   59.6759  C     
4    C        28.8097    5.5241   60.6209  C     
5    C        28.4307    5.5746   61.9764  C     
6    C        27.2487    4.9365   62.4190  C     
7    C        28.3869    4.8020   58.3109  C     
8    C        29.4140    3.9299   57.8696  C     
9    C        29.1616    4.6782   55.6333  C     
10   C        27.7465    5.5997   57.3224  C     
11   N        30.0935    3.1109   58.6916  N     
12   N        29.5424    4.6958   54.3475  N     
13   N        29.7709    3.8989   56.5574  N     
14   N        28.1614    5.4925   56.0334  N     
15   C        26.6636    6.5891   57.5628  C     
16   C        25.4835    6.4063   56.5878  C     
17   C        26.8254    4.9824   63.8386  C     
18   H        25.5992    3.7736   61.7672  H     
19   H        26.2236    3.7195   59.4499  H     
20   H        29.6671    5.9995   60.3243  H     
21   H        29.0272    6.0777   62.6379  H     
22   H        30.7830    2.5428   58.3356  H     
23   H        29.9426    3.1206   59.6499  H     
24   H        29.1296    5.3233   53.7251  H     
25   H        30.2722    4.1288   54.0465  H     
26   H        26.2804    6.5185   58.5853  H     
27   H        27.0707    7.5963   57.4503  H     
28   H        25.8207    6.5280   55.5547  H     
29   H        24.7150    7.1539   56.7896  H     
30   H        25.0428    5.4174   56.6993  H     
31   H        25.8316    5.4317   63.9162  H     
32   H        27.5079    5.5691   64.4587  H     
33   H        26.7837    3.9696   64.2440  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   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19    1   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2161
  Crash		| -0.4395
  Polar		| 2.8664
  FragIndex	| 1
  FragRMSD	| 0.250