
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.9125   -7.6195    2.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6906   -6.4405    1.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293   -7.2717    2.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -2.5804    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -3.7376    1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631   -5.1761    2.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -6.0078    2.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757   -1.3019    1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6030   -1.3547    0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -2.4545    2.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4791   -3.7184    1.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587   -0.1191    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    0.9831    0.2736 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3234   -0.2751   -1.2179 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    0.2308    0.6118 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418   -2.2475    3.0772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0324   -4.9001    2.4804 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615   -8.5021    1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2915   -7.8673    3.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790   -6.2640    0.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -6.6760    1.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194   -8.1112    2.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0366   -7.1272    1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023   -2.6479    0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2659   -4.6701    1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9937   -4.3631    1.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9187   -5.2980    3.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760   -6.2108    4.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8675   -5.7666    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694   -0.3467    1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -1.5943    2.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -3.1096    3.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5  4  2  0  0  0  0
  5 25  1  0  0  0  0
  6 17  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 17  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 11 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID>
Z56792776

>  <Barcode>
9990529620

>  <Well>
A12

>  <Plate_ID>
816280-04

>  <MW>
244.26

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	8
5	C	7
6	C	14
7	C	13
8	C	6
9	C	5
10	C	4
11	C	2
12	C	1
13	F	9
14	F	10
15	F	11
16	N	12
17	N	3
18	H	31
19	H	32
20	H	27
21	H	28
22	H	29
23	H	30
24	H	20
25	H	19
26	H	25
27	H	26
28	H	23
29	H	24
30	H	18
31	H	21
32	H	22


> <ALATIS_Mixture_Map>

$$$$
