
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.7559    1.0981    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935    0.0617   -0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.0432    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -1.0330   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5783    0.4410    0.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4737    2.5461   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3378    1.2758    2.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2594    3.2862    0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8266   -0.1553   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206   -0.0406   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9491    1.1024   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582   -1.0788   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702   -2.1529   -1.3639 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4783    1.1561   -0.3439 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8795    2.5874    1.9523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2666    1.9499    0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    0.1058   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974    1.8529    0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928   -1.8552   -1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2246   -0.5842    1.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6616    0.3723    0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5501    2.5104   -0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0041    3.0954   -1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2725    1.3439    2.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8452    0.8159    2.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948    3.4302    1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7165    4.2790    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -0.6711    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643   -0.7682   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2679    0.5631   -1.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1525    1.6183   -1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 14 31  1  0  0  0  0
 15  7  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <ID>
Z823455846

>  <Barcode>
0110770263

>  <Well>
A09

>  <Plate_ID>
816280-08

>  <MW>
209.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
