
    alatis_output_mol

 35 36  0  0  0  0  0  0  0  0999 V2000
    1.9960   -4.4984    1.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6787   -4.1893    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435   -3.2049    2.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -3.2436   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -2.2520    1.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    0.6211   -2.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    2.3453   -3.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536    0.8831   -3.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    2.6037   -4.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    1.0233   -1.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    1.3271   -2.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2779    1.8573   -4.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -2.4057    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729   -0.1320   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484    2.0759   -5.6541 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070   -1.1207   -0.6706 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676   -0.1858    0.0575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6432   -5.1500    2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -5.0394    1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6571   -3.7349    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867   -5.1196   -0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220   -3.4236    3.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025   -2.7018    2.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5903   -2.6095   -1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3978   -3.8423   -1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2018   -2.4113    1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598   -1.2264    1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8744   -0.1493   -1.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    2.9367   -3.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795    0.3204   -3.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9242    3.3731   -5.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176    1.9137   -1.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4064    0.8065   -2.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1612   -2.9360   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334   -0.9876   -1.2166 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  4  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 11  2  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  8  6  1  0  0  0  0
  8 30  1  0  0  0  0
  9  7  2  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 35  1  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <ID>
Z31484539

>  <Barcode>
0110705912

>  <Well>
D09

>  <Plate_ID>
816280-01

>  <MW>
235.30

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H18FNO/c15-12-8-6-11(7-9-12)10-14(17)16-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,16,17)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	15
3	C	16
4	C	14
5	C	13
6	C	11
7	C	12
8	C	10
9	C	9
10	C	4
11	C	5
12	C	6
13	C	8
14	C	1
15	F	7
16	N	2
17	O	3
18	H	34
19	H	35
20	H	30
21	H	31
22	H	32
23	H	33
24	H	28
25	H	29
26	H	26
27	H	27
28	H	24
29	H	25
30	H	23
31	H	22
32	H	19
33	H	20
34	H	21
35	H	18


> <ALATIS_Mixture_Map>

$$$$
