
    alatis_output_mol

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.0024    3.6718    2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328    4.2465    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4760    2.2576    2.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    3.8005    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4712   -3.8595    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8576   -3.5364    0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4619   -2.9008    0.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8230    1.2841    1.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    2.4747   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910   -2.2443    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -1.6317    0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -1.2661    0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    0.0720   -0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4840   -1.9758    0.1118 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1216   -0.7718    0.1256 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323    1.2610    0.3015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3221    0.0878   -1.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    4.3282    3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0695    3.7064    2.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037    3.9882    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    5.3403    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    2.2744    2.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    1.8848    3.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6993    4.5642   -0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898    3.7631    0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319   -4.8566    1.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -4.2801    0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058   -3.1355    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8391    0.3010    1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    1.4735    1.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5704    2.5199   -1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753    2.3673   -1.1498 H   0  0  0  0  0  0  0  0  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  1  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  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
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6 10  1  0  0  0  0
  6 27  1  0  0  0  0
  7  5  1  0  0  0  0
  7 11  2  0  0  0  0
  7 28  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 16  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <ID>
Z54226095

>  <Barcode>
9990529558

>  <Well>
G02

>  <Plate_ID>
816280-04

>  <MW>
239.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
