
    alatis_output_mol

 29 28  0  0  0  0  0  0  0  0999 V2000
    5.1066   -0.3596    0.7352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5936   -0.6531    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727   -0.7923    1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6904    1.1784    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -1.2199    0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    1.2346    0.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7711   -1.1610    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8741   -0.1047    0.0207 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3657   -0.0520    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.0726    0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2146   -0.9042   -1.1554 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    0.1796    0.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   -0.2792   -0.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3192    0.6218    1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8105   -1.1177    1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3827   -0.0135    2.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782   -1.6939    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904   -0.6524    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5092   -1.7538    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -0.9361    2.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2383    2.0949   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075   -2.1854    0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2022    2.1918    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3077   -2.0841    0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2626    0.9251   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8830   -1.8911   -1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7652   -0.4909   -2.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593   -0.4098   -2.9608 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -1.3339   -2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  2  0  0  0  0
  5 22  1  0  0  0  0
  6  4  2  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  7  5  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 10  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <ID>
Z210803634

>  <Barcode>
0110705787

>  <Well>
F04

>  <Plate_ID>
816280-02

>  <MW>
201.70

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H15NO.ClH/c1-3-12-10-6-4-9(5-7-10)8(2)11;/h4-8H,3,11H2,1-2H3;1H/t8-;/m0./s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>
molecule_1
new index	atom name	original index
1	 C 	13
2	 C 	11
3	 C 	12
4	 C 	2
5	 C 	3
6	 C 	7
7	 C 	8
8	 C 	4
9	 C 	1
10	 C 	5
11	 N 	6
12	 O 	10
13	 H 	27
14	 H 	29
15	 H 	28
16	 H 	24
17	 H 	22
18	 H 	23
19	 H 	25
20	 H 	26
21	 H 	14
22	 H 	15
23	 H 	19
24	 H 	20
25	 H 	16
26	 H 	17
27	 H 	18

molecule_2
new index	atom name	original index
1	 Cl	9
2	 H 	21


$$$$
