
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.2651   -4.9041   -3.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.3166    2.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8217    2.0062    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    0.9550    3.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4549    2.6433    2.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6663   -1.8481    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9723   -1.8040   -1.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561   -2.9735   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3748   -2.9219   -2.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    0.0830    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0772    0.8345    1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3488    2.1110    3.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853   -1.2761   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7357   -3.5185   -1.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741    2.7161    4.4032 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622   -0.1843    0.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3555   -4.6519   -1.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7439   -4.0988   -3.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -5.0572   -3.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8075   -5.8318   -3.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158   -0.5974    2.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237    2.4185    0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.5520    4.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402    3.5437    1.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -1.4454    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342   -1.3672   -2.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211   -3.4327    0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252   -3.3161   -3.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846    0.6537   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0477   -0.8477   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890    0.6500    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  2  1  0  0  0  0
  4 23  1  0  0  0  0
  5  3  2  0  0  0  0
  5 24  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  2  0  0  0  0
  7 26  1  0  0  0  0
  8  6  2  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9  7  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 12  5  1  0  0  0  0
 13 16  1  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16 31  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <ID>
Z57328997

>  <Barcode>
0110706310

>  <Well>
C02

>  <Plate_ID>
816280-07

>  <MW>
231.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
