
    alatis_output_mol

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.8892   -5.7757   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -5.0314   -1.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -5.1236    0.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -3.6361   -1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442   -3.7262    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    1.2891   -2.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9404   -2.9576   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8781   -0.6743   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287    0.1977   -3.0401 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480   -1.5560    0.0418 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525   -0.9338   -2.2602 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595    1.0242   -0.6337 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8666   -6.8611   -0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240   -5.5319   -1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1808   -5.7009    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6757   -3.0869   -1.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410   -3.2415    1.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5826    2.2762   -2.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -1.1864    0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3 15  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 10 19  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <ID>
Z56347187

>  <Barcode>
0110705882

>  <Well>
F03

>  <Plate_ID>
816280-01

>  <MW>
177.23

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	12
2	C	10
3	C	11
4	C	9
5	C	8
6	C	5
7	C	7
8	C	1
9	N	4
10	N	6
11	N	3
12	S	2
13	H	19
14	H	17
15	H	18
16	H	16
17	H	15
18	H	13
19	H	14


> <ALATIS_Mixture_Map>

$$$$
