
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.9789   -0.5598   -3.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408   -1.5181   -2.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0698    0.6395   -2.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -1.2619   -1.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    0.8842   -1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3448   -0.1134    3.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408   -1.9471    1.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736   -1.0232    4.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -2.8560    2.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161    0.4148    1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -0.5664    2.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834   -2.3845    3.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365   -0.0502   -1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9947   -0.0575   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2028   -3.2565    4.8222 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3287    0.4517    1.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    0.2761   -0.0415 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244   -0.6542   -0.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346   -0.7464   -4.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -2.4608   -3.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7925    1.3926   -2.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4380   -2.0191   -1.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2916    1.8336   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5136    0.9499    3.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8972   -2.3190    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4432   -0.6799    5.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8367   -3.9240    2.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584    0.1867    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298    1.4303    1.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    0.5330    1.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    1.1191    0.4769 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 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4 13  2  0  0  0  0
  4 22  1  0  0  0  0
  5 13  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 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8  6  1  0  0  0  0
  8 26  1  0  0  0  0
  9  7  2  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
 10 16  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 30  1  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>
Z44609285

>  <Barcode>
9990529584

>  <Well>
D01

>  <Plate_ID>
816280-04

>  <MW>
244.27

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
