
    alatis_output_mol

 29 28  0  0  0  0  0  0  0  0999 V2000
   -2.6326    0.5758    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7291   -3.8281   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0184   -1.9193   -1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1660   -3.0149    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -1.0737   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1974    1.1058   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2009    0.2255    0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204   -0.7863    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686   -3.3354   -1.1060 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    0.5427   -0.1782 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935   -1.6041    0.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319   -1.3073    0.5111 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    0.9832   -0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7068    1.3381    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048   -0.3251    0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884   -4.8974   -0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0473   -3.7456   -1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379   -1.5705   -1.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608   -1.7969   -2.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495   -3.3769    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8143   -3.1716    1.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -1.1540    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4329   -0.0067   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    2.1595   -0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4328   -3.8984   -1.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8832   -0.6503    3.4208 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -0.1418    2.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    0.4557   -3.3762 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2337    1.2157   -2.5191 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
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9 25  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <ID>
Z1741975423

>  <Barcode>
0110705964

>  <Well>
G12

>  <Plate_ID>
816280-03

>  <MW>
256.20

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H13N3S.2ClH/c1-7-6-10-8(12-7)11-4-2-9-3-5-11;;/h6,9H,2-5H2,1H3;2*1H

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


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

molecule_2
new index	atom name	original index
1	 Cl	8
2	 H 	17

molecule_3
new index	atom name	original index
1	 Cl	9
2	 H 	18


$$$$
