
    alatis_output_mol

 31 31  0  0  0  0  0  0  0  0999 V2000
    4.7777   -1.5348    1.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769   -2.4034   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330   -0.3803   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6494    0.4660    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7033    1.4540    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    1.5754   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134   -0.7487    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    0.9181    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721   -1.1491   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561   -2.1178    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6638   -3.1403    0.1124 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.2709    1.2344 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884   -2.3138   -0.9410 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3025   -0.3905   -0.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4213   -0.5175    0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199    0.8301    0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0669    1.6345    0.4847 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   -0.6484    2.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8978   -2.0406    1.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6396   -2.2026    1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5817   -2.9889   -0.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248   -2.1223   -2.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3512   -3.0526   -0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7153   -1.0332   -0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -0.0119   -1.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.4728    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285    0.5951    0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7880    2.5322   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6897    2.2939    0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    2.1275   -0.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -0.9443   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  5  4  2  0  0  0  0
  5 16  1  0  0  0  0
  5 28  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8  6  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 14 31  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <ID>
Z55009317

>  <Barcode>
9990531720

>  <Well>
B01

>  <Plate_ID>
816280-06

>  <MW>
249.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14F3N3O/c1-9(2,3)14-8(17)6-16-5-4-7(15-16)10(11,12)13/h4-5H,6H2,1-3H3,(H,14,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	15
2	C	16
3	C	17
4	C	5
5	C	8
6	C	6
7	C	1
8	C	7
9	C	11
10	C	3
11	F	12
12	F	13
13	F	14
14	N	9
15	N	2
16	N	4
17	O	10
18	H	24
19	H	23
20	H	25
21	H	26
22	H	28
23	H	27
24	H	31
25	H	30
26	H	29
27	H	18
28	H	21
29	H	19
30	H	20
31	H	22


> <ALATIS_Mixture_Map>

$$$$
