
    alatis_output_mol

 26 25  0  0  0  0  0  0  0  0999 V2000
    2.7402   -1.2509    0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679    0.5599   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146    1.3001   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793   -0.7933   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360   -5.2461    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575   -0.6758   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    0.6992   -0.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639   -1.4378    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8332   -3.7927   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585    1.7220   -0.6965 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797   -5.5979   -0.0598 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332   -2.8386    0.3413 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740   -3.4986   -1.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3015   -0.6244    0.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7306   -2.2625    0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -1.2657   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407    1.0304   -0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0978    2.3541   -0.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9913   -1.3572    0.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -5.8994   -0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9954   -5.4091    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8988   -6.5897    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1135   -5.5173   -1.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895   -3.1666    1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308    0.5196    3.1116 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    0.4797    2.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 18  1  0  0  0  0
  4  8  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
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9 12  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12  8  1  0  0  0  0
 12 24  1  0  0  0  0
 13  9  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <ID>
Z85956652

>  <Barcode>
0110705856

>  <Well>
H01

>  <Plate_ID>
816280-01

>  <MW>
235.11

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H11ClN2O.ClH/c1-6-7(10)3-2-4-8(6)12-9(13)5-11;/h2-4H,5,11H2,1H3,(H,12,13);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	8
2	 H 	16


$$$$
