
    alatis_output_mol

 33 34  0  0  0  0  0  0  0  0999 V2000
   -1.3294    2.7812   -3.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -2.3573    3.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7513   -0.4038    4.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9864   -1.6099    2.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1810    0.3504    3.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    3.1767   -1.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025    1.3227   -3.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441    2.2362   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    0.3411   -2.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354   -1.7531    4.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -0.2635    2.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7467   -0.0242   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -2.4807    5.4004 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001    0.5043    1.2556 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893    2.7003   -3.2781 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3493    0.8702   -0.9864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816   -1.2025   -0.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840    3.8143   -3.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    2.4877   -4.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643    2.1494   -2.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959   -3.4082    3.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579    0.0437    5.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955   -2.0943    1.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4562    1.3970    3.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4391    3.2925   -1.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    4.1810   -1.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7006    1.3721   -3.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.9250   -4.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1529    2.6495    0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    2.1872   -0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352    0.1280   -2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6626   -0.6122   -2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509    1.4747    1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  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  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  3 22  1  0  0  0  0
  4 11  2  0  0  0  0
  4 23  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  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  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 33  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <ID>
Z2856434944

>  <Barcode>
0110705862

>  <Well>
H07

>  <Plate_ID>
816280-01

>  <MW>
237.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)

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


> <ALATIS_Mixture_Map>

$$$$
