@<TRIPOS>MOLECULE
BindingDB_50088625
 25 25 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        30.9632   65.8528    9.5192  C     
2    C        32.5013   66.0381    9.5738  C     
3    C        32.9348   66.4694    8.1474  C     
4    C        31.6282   66.6077    7.3302  C     
5    C        30.6180   65.6679    8.0265  C     
6    N        30.4549   64.7669   10.3744  N     
7    O        33.1749   64.8529   10.0051  O     
8    O        33.8190   65.5172    7.5495  O     
9    O        31.8007   66.2867    5.9503  O     
10   O        29.2329   66.0123    7.8118  O     
11   C        28.7494   65.9310    6.4624  C     
12   H        30.4960   66.7793    9.8724  H     
13   H        32.7476   66.8291   10.2889  H     
14   H        33.4564   67.4312    8.1850  H     
15   H        31.2651   67.6389    7.3989  H     
16   H        30.8074   64.6272    7.7389  H     
17   H        30.8681   63.8677   10.1148  H     
18   H        29.4367   64.7130   10.2983  H     
19   H        30.7167   64.9683   11.3413  H     
20   H        32.8535   64.7113   10.9195  H     
21   H        34.3164   66.0231    6.8725  H     
22   H        32.4594   66.9328    5.6171  H     
23   H        29.2492   66.6532    5.8157  H     
24   H        27.6868   66.1704    6.4750  H     
25   H        28.8750   64.9248    6.0569  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    2    7 1
     6    3    4 1
     7    3    8 1
     8    4    5 1
     9    4    9 1
    10    5   10 1
    11   10   11 1
    12    1   12 1
    13    2   13 1
    14    3   14 1
    15    4   15 1
    16    5   16 1
    17    6   17 1
    18    6   18 1
    19    6   19 1
    20    7   20 1
    21    8   21 1
    22    9   22 1
    23   11   23 1
    24   11   24 1
    25   11   25 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4466
  Crash		| -0.5256
  Polar		| 6.5450
  FragIndex	| 1
  FragRMSD	| 0.153