
    alatis_output_mol

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.5654   -1.6790   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -0.3398   -2.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8758   -0.4262    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8709    0.9145   -1.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1384    1.2637    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    3.7828    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    4.4333   -1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    2.7335   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0175   -1.5706   -1.7915 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938    3.1244   -0.9941 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5387    0.8863   -0.1321 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    5.2790   -0.2382 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4897   -1.8898   -0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0598   -2.5471    0.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -0.4224   -2.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147   -0.2447   -3.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082   -0.5432    1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558   -0.4161    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606    1.0248   -1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4597    1.8030   -2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023    1.1162    1.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    0.6559   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    3.7328    1.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1614    4.9556   -1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358   -1.4788   -1.7883 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
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9 25  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <ID>
Z812517112

>  <Barcode>
9990532018

>  <Well>
B11

>  <Plate_ID>
816280-05

>  <MW>
183.28

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

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

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
