
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.7712   -1.0126    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615    0.2380    0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -1.1158    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714    1.3856    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657    4.3480    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0337    2.5574    2.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7503    2.3419   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8366    5.0058    2.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8560    3.2905    3.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0919    0.9586   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5722    3.0887    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4151    0.0342    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8053    1.2788    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8824   -0.1284   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5231    2.4135    0.1719 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2657    4.5031    3.3972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    1.0162   -0.2316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3657   -1.2497   -0.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3844   -1.9114    0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.3180    0.5558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0576   -2.0998   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0178    2.3661    0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6005    4.8213    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5261    1.5920    2.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3506    2.9430   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8260    2.2357   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3723    5.9861    2.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1982    2.9081    4.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    0.3133    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3215    0.4642   -1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2090    1.9123   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 19  1  0  0  0  0
  2  4  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 13  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  5  2  0  0  0  0
  8 27  1  0  0  0  0
  9  6  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 17 31  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <ID>
Z1310876699

>  <Barcode>
9990529613

>  <Well>
B06

>  <Plate_ID>
816280-04

>  <MW>
244.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
