
    alatis_output_mol

 28 27  0  0  0  0  0  0  0  0999 V2000
    2.1765   -4.5957   -3.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394   -3.1712   -4.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4852   -4.5907   -2.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8793   -0.1523   -2.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708   -2.3040   -4.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689   -3.6368   -2.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -1.5717   -1.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935    0.5196   -1.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -2.2636   -2.9600 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6874    0.1000   -0.0751 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4716    1.5785   -1.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908   -5.2291   -3.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829   -5.0275   -4.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032   -2.7438   -3.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746   -3.1876   -5.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538   -5.6179   -2.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -4.2827   -1.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5497   -0.2204   -3.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0067    0.4839   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -1.2878   -4.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5416   -2.7250   -5.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4841   -4.0336   -3.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -3.6221   -1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3577   -2.1360   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173   -1.5099   -0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681    1.8846   -2.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    2.6921   -0.8876 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    2.6106   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  4  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 11 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <ID>
Z53115945

>  <Barcode>
0110705952

>  <Well>
H01

>  <Plate_ID>
816280-03

>  <MW>
193.68

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H15NO2.ClH/c10-8(11)4-7-9-5-2-1-3-6-9;/h1-7H2,(H,10,11);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	12
2	 C 	10
3	 C 	11
4	 C 	3
5	 C 	9
6	 C 	8
7	 C 	5
8	 C 	1
9	 N 	2
10	 O 	4
11	 O 	6
12	 H 	27
13	 H 	28
14	 H 	23
15	 H 	24
16	 H 	25
17	 H 	26
18	 H 	13
19	 H 	14
20	 H 	21
21	 H 	22
22	 H 	19
23	 H 	20
24	 H 	15
25	 H 	16
26	 H 	17

molecule_2
new index	atom name	original index
1	 Cl	7
2	 H 	18


$$$$
