
    alatis_output_mol

 29 30  0  0  0  0  0  0  0  0999 V2000
   -5.4127   -5.8302    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    0.7910   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    1.4690   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274   -2.5497    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4679   -2.7093   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033   -1.3621   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845    0.0141    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457   -4.4441    0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6155   -1.1341   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724   -0.5983   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -0.7011   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2446    0.6970   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3594   -1.2216   -0.0082 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081   -4.0554   -0.6677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    1.1002    0.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1314   -3.7289    1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0632   -6.3188   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1114   -6.4347    1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5039   -5.7637    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771    1.3446   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    2.5535    0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3888   -3.2123   -0.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -2.8815    1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2187   -2.0296   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3548   -2.4579   -1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -2.4437   -0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4565    0.1529    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8173   -4.6892   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    2.0633    0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  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
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  4  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <ID>
Z1220452176

>  <Barcode>
9990529601

>  <Well>
C07

>  <Plate_ID>
816280-04

>  <MW>
220.25

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
