
    alatis_output_mol

 23 23  0  0  0  0  0  0  0  0999 V2000
   -0.5937   -7.1491   -3.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -3.8765    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727   -3.0384   -1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789   -2.5658    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215   -1.7280   -1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5559   -5.5421   -1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -4.1256   -0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161   -1.4777   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9132   -0.0582    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    0.0349    1.0212 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113    0.6687    0.6501 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    0.6264   -0.9797 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3289   -5.7650   -2.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -7.8365   -2.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4429   -7.2781   -4.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6286   -7.4273   -2.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3640   -4.7020    0.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694   -3.2148   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824   -2.3989    1.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -0.8998   -1.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0423   -6.2480   -0.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086   -5.7129   -1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6398   -5.5350   -2.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  3  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <ID>
Z2856434809

>  <Barcode>
9990532019

>  <Well>
B12

>  <Plate_ID>
816280-05

>  <MW>
189.18

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10F3N/c1-13-6-7-2-4-8(5-3-7)9(10,11)12/h2-5,13H,6H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	8
3	C	9
4	C	6
5	C	7
6	C	12
7	C	11
8	C	2
9	C	1
10	F	3
11	F	4
12	F	5
13	N	10
14	H	22
15	H	23
16	H	21
17	H	16
18	H	17
19	H	14
20	H	15
21	H	19
22	H	20
23	H	18


> <ALATIS_Mixture_Map>

$$$$
