
    alatis_output_mol

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.0360    0.4598    4.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2638    1.4720    3.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3226   -0.6899    3.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    1.3338    2.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350   -0.8302    2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332    1.0861   -0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677   -1.1464   -1.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0257    1.1408   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605   -1.0895   -1.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314    0.0387    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -0.0971   -1.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    0.1792    1.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386   -0.0574   -1.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257    0.0537   -1.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0618    0.1083   -1.5832 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701    0.0772    0.0595 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    0.5667    5.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    2.3685    4.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260   -1.4785    3.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697    2.1265    1.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705   -1.7341    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    1.9364   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560   -2.0437   -2.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5648    2.0225   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6300   -1.9257   -2.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8920   -0.9026   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    0.8546   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9503    0.6993   -1.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284   -1.0503   -1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059   -0.6699    0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4 12  2  0  0  0  0
  4 20  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6 13  2  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  7 23  1  0  0  0  0
  8  6  1  0  0  0  0
  8 24  1  0  0  0  0
  9  7  2  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
>  <ID>
Z2856434783

>  <Barcode>
0110770261

>  <Well>
A11

>  <Plate_ID>
816280-08

>  <MW>
215.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
