
    alatis_output_mol

 28 29  0  0  0  0  0  0  0  0999 V2000
   -2.5994   -4.8429    1.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493   -0.1138    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -4.2842   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397    3.3188   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4767    1.9564    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    2.9188   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9679   -0.2750    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    1.5466    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487   -1.4611    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988    0.5796    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576   -2.8499   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    3.8343   -0.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4751    1.0491    0.0278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    0.8813    0.0165 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0918   -3.8204   -0.0069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0181   -2.9480   -0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281   -1.1082    0.0453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863   -4.1850    2.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5990   -4.9107    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0491   -5.8394    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316    0.9434    0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935   -0.5815    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -0.5716   -0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612   -4.9299   -0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5546   -4.2242   -0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0540    4.0343   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4827    1.5531    0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    3.3319   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 16  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 17  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <ID>
Z735557654

>  <Barcode>
0110770228

>  <Well>
D05

>  <Plate_ID>
816280-08

>  <MW>
249.29

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C11H11N3O2S/c1-3-16-11(15)9-7(2)14-10(17-9)8-6-12-4-5-13-8/h4-6H,3H2,1-2H3

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
