
    alatis_output_mol

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.8693   -3.4594   -1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624   -0.5253    2.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7813    0.6473   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377   -0.0981   -1.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435   -1.5194   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108   -3.0193   -0.0533 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2606   -0.1970    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7640    0.5730    0.8803 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -0.6494    0.0541 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709   -3.4211    1.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363   -3.0274   -1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3446   -3.1824   -2.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356   -4.5463   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257    0.3922    3.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1755   -0.9955    3.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   -1.2037    2.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5252    1.2347   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -0.2795   -2.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990   -1.2796    0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853   -1.2445   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601   -3.5652   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1537   -3.0895    1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  5  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
 10  6  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <ID>
Z1362754425

>  <Barcode>
9990531703

>  <Well>
D08

>  <Plate_ID>
816280-06

>  <MW>
140.19

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m0/s1

> <ALATIS_Warnings>

> <ALATIS_Errors>

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


> <ALATIS_Mixture_Map>

$$$$
