
    alatis_output_mol

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0201   -0.4165    1.9972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559   -1.1552    2.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1225   -4.6616    2.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623   -4.8013    3.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -2.4859    0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1663   -3.1867    1.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7555   -1.0726    0.9741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -2.5454    2.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -0.2758   -0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054   -0.8275   -1.2693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -3.4546    3.8322 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    0.9102    0.1018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0538    0.6624    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328   -0.6591    3.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -5.1540    1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495   -5.0499    2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1909   -5.2604    4.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677   -5.4076    3.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3882   -3.0426    0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -1.8049   -1.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -0.2473   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -3.2020    4.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    2.1675   -0.2554 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    2.5278    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  1  2  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  3  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11  8  1  0  0  0  0
 11 22  1  0  0  0  0
 12  9  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <ID>
Z2434225559

>  <Barcode>
9990531801

>  <Well>
A06

>  <Plate_ID>
816280-05

>  <MW>
198.65

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C9H10N2O.ClH/c10-9(12)7-1-2-8-6(5-7)3-4-11-8;/h1-2,5,11H,3-4H2,(H2,10,12);1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	12
2	 H 	22


$$$$
