
    alatis_output_mol

 31 32  0  0  0  0  0  0  0  0999 V2000
   -5.3444    1.3813   -1.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3513   -4.7324    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3396    3.9240    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1115    3.1765   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9807    3.6465    0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687    1.8395   -0.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8643    2.4369    0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0022    0.3823   -1.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295    2.1343   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9571   -3.5621    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729    2.5985    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431    1.0429    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400   -1.2231    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4323   -0.9172   -0.9905 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -2.4031    0.8833 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -3.7222   -1.0414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0272    0.0153    1.3608 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7435    0.6276   -2.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1827    0.8721   -1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7303    2.0739   -2.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190   -5.4408    1.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -4.4242    2.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260   -5.2203    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7938    4.7453    1.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1597    3.4233   -0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901    4.2733    1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7351    1.0263   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343    3.0698   -0.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5008    2.8433    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624    0.7986   -2.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -2.4051    1.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  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 10  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  5  2  0  0  0  0
  3 24  1  0  0  0  0
  4  3  1  0  0  0  0
  4  9  2  0  0  0  0
  4 25  1  0  0  0  0
  5 11  1  0  0  0  0
  5 26  1  0  0  0  0
  6 11  2  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  9  6  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 12 17  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15 31  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <ID>
Z57080305

>  <Barcode>
0110705875

>  <Well>
G05

>  <Plate_ID>
816280-01

>  <MW>
246.33

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C13H14N2OS/c1-9-4-3-5-11(6-9)7-12-8-14-13(17-12)15-10(2)16/h3-6,8H,7H2,1-2H3,(H,14,15,16)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	17
2	C	14
3	C	13
4	C	16
5	C	15
6	C	11
7	C	9
8	C	6
9	C	12
10	C	7
11	C	10
12	C	5
13	C	1
14	N	2
15	N	3
16	O	8
17	S	4
18	H	29
19	H	31
20	H	30
21	H	26
22	H	24
23	H	25
24	H	23
25	H	28
26	H	27
27	H	22
28	H	20
29	H	21
30	H	19
31	H	18


> <ALATIS_Mixture_Map>

$$$$
