
    alatis_output_mol

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.2427    3.8212    1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4309    2.9256    0.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9312   -2.7136    5.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470   -1.5761    4.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896   -3.3235    4.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -1.0447    3.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -2.7952    3.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -1.0515    2.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -1.6522    3.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293    0.7665    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992   -0.5036    1.0804 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523    1.0892   -0.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    1.5920    1.4353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4434    4.8495    0.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209    3.8202    2.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578    3.4709    0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    2.9198   -0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3179    3.3137    1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489   -3.1185    5.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2124   -1.0942    4.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -4.2062    5.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5821   -0.1458    2.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050   -3.2814    3.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5498   -0.3019    2.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629   -1.8349    1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1116   -1.1246    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  6  9  2  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 26  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <ID>
Z31478129

>  <Barcode>
0110706246

>  <Well>
H07

>  <Plate_ID>
816280-07

>  <MW>
179.22

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
